*HEADER    TOXIN                                   07-SEP-16   5T8A              
*TITLE     RECOMBINANT CYTOTOXIN-I FROM THE VENOM OF COBRA N. OXIANA             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIN 1;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYTOTOXIN I,CTI;                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: THIS TOXIN FEATURES THE PRESENCE OF AN ADDITIONAL MET-
*COMPND   7 RESIDUE AT THE N-TERMINUS, COMPARED TO THE NATIVE TOXIN, ISOLATED    
*COMPND   8 FROM COBRA VENOM                                                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA OXIANA;                                    
*SOURCE   3 ORGANISM_COMMON: CENTRAL ASIAN COBRA;                                
*SOURCE   4 ORGANISM_TAXID: 8657;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET-22B(+)                            
*KEYWDS    TOXIN, CYTOLYTIC PEPTIDE, ALL-BETA SHEET PROTEIN, RECOMBINANT         
*KEYWDS   2 PRODUCTION, STRUCTURE FROM MOLMOL                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.V.DUBOVSKII,M.A.DUBINNYI,M.A.SHULEPKO,E.N.LYUKMANOVA,D.A.DOLGIKH,   
*AUTHOR   2 M.P.KIRPICHNIKOV,R.G.EFREMOV                                         
*REVDAT   1   20-SEP-17 5T8A    0                                                
# Restraints file 1: ct1r_Allconstraints_310816.mr
  4 ASN  HN     60 ASN  HN      3.86            #peak    35
  2 LYS+ HN     57 ASP- HA      3.45            #peak    63
  1 LEU  HN     14 CYSS HN      3.92            #peak    74
  2 LYS+ HA     14 CYSS HN      3.17            #peak    75
  3 CYSS HA     59 CYSS HN      3.98            #peak    96
 22 TYR  HN     37 GLY  HN      3.42            #peak   117
 46 SER  HN     49 VAL  HN      3.45            #peak   146
  3 CYSS HN     12 LYS+ HN      3.95            #peak   153
 20 LEU  HN     39 ILE  HN      3.14            #peak   157
 21 CYSS HA     39 ILE  HN      4.42            #peak   161
 38 CYSS HA     39 ILE  HN      2.59            #peak   162
 16 GLU- HN     16 GLU- HA      2.86            #peak   186
 15 PRO  HA     16 GLU- HN      2.46            #peak   187
  3 CYSS HN     12 LYS+ HN      3.45            #peak   204
  3 CYSS HN     13 THR  HA      3.64            #peak   206
  1 LEU  HN     14 CYSS HN      4.45            #peak   226
 23 LYS+ HN     53 CYSS HA      3.83            #peak   243
 39 ILE  HA     41 VAL  HN      4.10            #peak   261
 25 PHE  HN     50 LYS+ HN      3.17            #peak   270
 21 CYSS HN     55 ASN  HA      3.33            #peak   293
 22 TYR  HN     37 GLY  HN      2.99            #peak   299
 29 ASP- HA     31 THR  HN      3.45            #peak   307
 33 PRO  HA     35 LYS+ HN      3.67            #peak   328
 24 MET  HN     35 LYS+ HN      3.21            #peak   334
 25 PHE  HA     35 LYS+ HN      3.95            #peak   337
  6 LEU  HA     36 ARG+ HN      4.04            #peak   349
 25 PHE  HN     50 LYS+ HN      3.02            #peak   372
 24 MET  HB2    25 PHE  HN      3.52            #peak   373
 46 SER  HN     49 VAL  HN      3.45            #peak   377
 43 PRO  HB3    44 LYS+ HN      3.58            #peak   383
 43 PRO  HB2    44 LYS+ HN      3.45            #peak   384
 43 PRO  HA     44 LYS+ HN      2.65            #peak   386
 24 MET  HN     35 LYS+ HN      3.30            #peak   395
 33 PRO  HB2    34 VAL  HN      3.70            #peak   422
 33 PRO  HA     34 VAL  HN      2.74            #peak   423
 33 PRO  HB3    34 VAL  HN      3.70            #peak   428
 25 PHE  HA     34 VAL  HN      3.39            #peak   429
  3 CYSS HA     58 ARG+ HN      3.36            #peak   434
 16 GLU- HA     18 LYS+ HN      3.79            #peak   451
 22 TYR  QE     38 CYSS HN      7.63            #peak     5
 21 CYSS HB2    60 ASN  HN      4.42            #peak    45
  8 PRO  HD3     9 ILE  HN      5.50            #peak    88
  8 PRO  HD2     9 ILE  HN      4.76            #peak    91
  8 PRO  HG2     9 ILE  HN      4.85            #peak    93
 37 GLY  HN     60 ASN  HD22    3.61            #peak   119
 22 TYR  QD     39 ILE  HN      7.45            #peak   164
 20 LEU  HB2    54 CYSS HN      4.17            #peak   212
 39 ILE  HG12   41 VAL  HN      3.05            #peak   264
 37 GLY  HN     60 ASN  HD22    4.14            #peak   314
 33 PRO  HG3    35 LYS+ HN      4.79            #peak   330
 23 LYS+ HB3    52 VAL  HN      5.19            #peak   358
 25 PHE  HN     25 PHE  QD      6.01            #peak   367
 22 TYR  QD     24 MET  HN      7.45            #peak   394
 18 LYS+ HG2    40 ASP- HN      4.51            #peak   405
 15 PRO  HD2    18 LYS+ HN      5.13            #peak   452
  1 LEU  QD2    20 LEU  HN      5.04            #peak    28
 20 LEU  QD2    55 ASN  HN      6.31            #peak   177
 20 LEU  QD2    54 CYSS HN      5.60            #peak   215
 20 LEU  QD1    54 CYSS HN      6.53            #peak   218
 39 ILE  QG2    42 CYSS HN      6.28            #peak   252
 39 ILE  QG2    41 VAL  HN      4.92            #peak   259
 39 ILE  QD1    41 VAL  HN      6.47            #peak   262
  1 LEU  QD1    57 ASP- HN      4.33            #peak   342
 56 THR  QG2    57 ASP- HN      4.70            #peak   343
  6 LEU  QD1    36 ARG+ HN      5.54            #peak   354
 46 SER  HN     48 LEU  QD1     5.35            #peak   380
 20 LEU  QD1    40 ASP- HN      5.81            #peak   404
 33 PRO  HA     33 PRO  HB2     2.83            #peak     8
 33 PRO  HB2    35 LYS+ HN      4.23            #peak    11
 33 PRO  HB2    34 VAL  HN      3.70            #peak    13
 21 CYSS HN     21 CYSS HB3     4.85            #peak    16
 21 CYSS HB3    22 TYR  HN      4.85            #peak    17
 18 LYS+ HA     19 ASN  HN      2.65            #peak    21
 18 LYS+ HA     18 LYS+ HB3     3.36            #peak    22
 18 LYS+ HA     18 LYS+ HB2     2.74            #peak    23
 18 LYS+ HN     18 LYS+ HA      3.24            #peak    27
 42 CYSS HN     42 CYSS HB3     3.08            #peak    30
 57 ASP- HA     57 ASP- HB2     3.27            #peak    32
 57 ASP- HN     57 ASP- HB2     3.70            #peak    33
 57 ASP- HB2    58 ARG+ HN      3.76            #peak    35
 25 PHE  HB2    26 MET  HN      4.23            #peak    37
 25 PHE  HN     25 PHE  HB2     3.42            #peak    40
 25 PHE  HA     25 PHE  HB2     3.64            #peak    42
  6 LEU  HB3     7 VAL  HN      4.45            #peak    52
  6 LEU  HN      6 LEU  HB3     4.54            #peak    53
 43 PRO  HB3    44 LYS+ HN      4.14            #peak    57
 14 CYSS HN     14 CYSS HA      3.45            #peak    59
 14 CYSS HA     14 CYSS HB2     3.14            #peak    61
 28 SER  HN     28 SER  HB3     3.64            #peak    64
 28 SER  HB3    29 ASP- HN      4.45            #peak    65
 46 SER  HB3    47 LEU  HN      3.64            #peak    68
 46 SER  HN     46 SER  HB3     5.50            #peak    71
 31 THR  HA     32 ILE  HN      3.86            #peak    72
 31 THR  HN     31 THR  HA      3.24            #peak    73
 50 LYS+ HN     50 LYS+ HA      3.42            #peak    76
 50 LYS+ HA     51 TYR  HN      3.30            #peak    78
 20 LEU  HN     20 LEU  HB3     3.76            #peak    80
 20 LEU  HB3    21 CYSS HN      4.20            #peak    84
 18 LYS+ HB3    19 ASN  HN      5.50            #peak    87
 18 LYS+ HN     18 LYS+ HB3     3.24            #peak    95
 11 TYR  HA     11 TYR  HB3     3.08            #peak    97
 11 TYR  HN     11 TYR  HA      4.01            #peak    99
 11 TYR  HA     12 LYS+ HN      3.67            #peak   100
 11 TYR  HA     11 TYR  HB2     3.27            #peak   101
  5 LYS+ HN     11 TYR  HA      3.17            #peak   102
 35 LYS+ HA     35 LYS+ HB3     2.96            #peak   105
 35 LYS+ HN     35 LYS+ HA      3.33            #peak   107
 35 LYS+ HA     36 ARG+ HN      2.65            #peak   108
 35 LYS+ HA     35 LYS+ HB2     3.27            #peak   110
 51 TYR  HN     51 TYR  HB3     3.05            #peak   111
 16 GLU- HN     16 GLU- HB2     2.96            #peak   123
 16 GLU- HB2    17 GLY  HN      5.50            #peak   124
 16 GLU- HA     16 GLU- HB2     3.14            #peak   126
 27 MET  HB2    28 SER  HN      3.86            #peak   127
 27 MET  HN     27 MET  HB2     2.99            #peak   129
 33 PRO  HB3    33 PRO  HA      3.92            #peak   137
 33 PRO  HA     34 VAL  HN      2.62            #peak   138
 25 PHE  HA     33 PRO  HA      3.24            #peak   140
 11 TYR  HN     11 TYR  HB3     4.45            #peak   150
 11 TYR  HB3    12 LYS+ HN      4.76            #peak   151
 40 ASP- HA     41 VAL  HN      3.70            #peak   155
 40 ASP- HN     40 ASP- HA      3.14            #peak   156
 55 ASN  HB2    56 THR  HN      5.50            #peak   158
 55 ASN  HN     55 ASN  HB2     3.67            #peak   160
 14 CYSS HA     14 CYSS HB3     2.90            #peak   164
 14 CYSS HN     14 CYSS HB3     3.79            #peak   165
 23 LYS+ HN     23 LYS+ HB3     4.20            #peak   174
 23 LYS+ HB3    24 MET  HN      5.13            #peak   176
 22 TYR  HN     22 TYR  HB2     3.61            #peak   193
 24 MET  HA     24 MET  HB3     3.52            #peak   204
 24 MET  HA     24 MET  HB2     3.14            #peak   205
 24 MET  HA     25 PHE  HN      2.74            #peak   206
 24 MET  HN     24 MET  HA      3.21            #peak   207
 45 ASN  HA     45 ASN  HB3     2.80            #peak   209
 45 ASN  HA     46 SER  HN      2.86            #peak   210
 45 ASN  HN     45 ASN  HA      4.17            #peak   211
 45 ASN  HA     45 ASN  HB2     3.24            #peak   213
  1 LEU  HN      1 LEU  HB2     3.89            #peak   214
 59 CYSS HB2    60 ASN  HN      4.10            #peak   217
  6 LEU  HA      6 LEU  HB2     3.36            #peak   235
  6 LEU  HA      7 VAL  HN      4.01            #peak   236
  6 LEU  HN      6 LEU  HA      4.17            #peak   237
  6 LEU  HA     36 ARG+ HN      4.04            #peak   241
 29 ASP- HB3    30 LEU  HN      4.26            #peak   244
 29 ASP- HN     29 ASP- HB3     3.61            #peak   245
 29 ASP- HA     29 ASP- HB3     3.36            #peak   246
 48 LEU  HB3    49 VAL  HN      4.01            #peak   247
 48 LEU  HN     48 LEU  HB3     3.52            #peak   250
  4 ASN  HN      4 ASN  HB3     4.48            #peak   269
  4 ASN  HB3     5 LYS+ HN      3.45            #peak   275
 37 GLY  HA2    38 CYSS HN      3.86            #peak   277
 37 GLY  HN     37 GLY  HA2     3.45            #peak   278
 37 GLY  HA1    37 GLY  HA2     2.49            #peak   280
 53 CYSS HN     53 CYSS HB3     3.79            #peak   283
 53 CYSS HB3    54 CYSS HN      3.30            #peak   284
 53 CYSS HA     53 CYSS HB3     2.86            #peak   287
 47 LEU  HN     47 LEU  HB2     3.92            #peak   292
 47 LEU  HB2    48 LEU  HN      3.98            #peak   293
 26 MET  HN     26 MET  HB3     3.76            #peak   295
 26 MET  HB3    27 MET  HN      3.64            #peak   296
 21 CYSS HN     21 CYSS HB2     3.86            #peak   314
 12 LYS+ HN     12 LYS+ HB2     4.66            #peak   317
 12 LYS+ HB2    13 THR  HN      5.50            #peak   319
 17 GLY  HN     17 GLY  HA1     4.01            #peak   321
 17 GLY  HA1    18 LYS+ HN      3.79            #peak   322
 42 CYSS HN     42 CYSS HB2     2.93            #peak   326
  2 LYS+ HN     57 ASP- HA      3.48            #peak   331
 57 ASP- HN     57 ASP- HA      3.98            #peak   333
 57 ASP- HA     58 ARG+ HN      2.96            #peak   335
 25 PHE  HB3    26 MET  HN      3.58            #peak   337
 25 PHE  HN     25 PHE  HB3     3.86            #peak   339
 25 PHE  HA     25 PHE  HB3     3.24            #peak   340
  8 PRO  HA      9 ILE  HN      3.36            #peak   343
  8 PRO  HB2     8 PRO  HA      2.83            #peak   344
  4 ASN  HB3     8 PRO  HA      3.55            #peak   345
  8 PRO  HB3     8 PRO  HA      3.14            #peak   346
  8 PRO  HA     10 ALA  HN      3.48            #peak   347
  6 LEU  HB2     7 VAL  HN      5.50            #peak   355
  6 LEU  HN      6 LEU  HB2     3.98            #peak   356
 43 PRO  HB2    44 LYS+ HN      4.35            #peak   366
  3 CYSS HA      4 ASN  HN      2.71            #peak   368
  3 CYSS HN      3 CYSS HA      3.48            #peak   369
  3 CYSS HA      3 CYSS HB2     3.08            #peak   370
  3 CYSS HA      3 CYSS HB3     3.61            #peak   371
  3 CYSS HA     58 ARG+ HA      3.05            #peak   372
 28 SER  HN     28 SER  HB2     3.05            #peak   374
 28 SER  HB2    29 ASP- HN      5.50            #peak   375
 46 SER  HB2    47 LEU  HN      5.50            #peak   378
 46 SER  HN     46 SER  HB2     4.88            #peak   381
 60 ASN  HN     60 ASN  HB3     3.83            #peak   382
 20 LEU  HN     20 LEU  HB2     4.60            #peak   386
 20 LEU  HA     20 LEU  HB2     3.33            #peak   393
 20 LEU  HB2    21 CYSS HN      3.36            #peak   394
  1 LEU  HA      2 LYS+ HN      4.26            #peak   398
  1 LEU  HN      1 LEU  HA      3.52            #peak   399
 34 VAL  HB     35 LYS+ HN      5.41            #peak   404
 51 TYR  HN     51 TYR  HB2     3.70            #peak   405
 51 TYR  HB2    52 VAL  HN      3.64            #peak   406
 51 TYR  HA     51 TYR  HB2     3.21            #peak   407
  7 VAL  HN      7 VAL  HB      3.21            #peak   409
 32 ILE  HN     32 ILE  HB      3.27            #peak   413
 32 ILE  HA     32 ILE  HB      3.52            #peak   416
 16 GLU- HN     16 GLU- HB3     3.02            #peak   420
 16 GLU- HB3    17 GLY  HN      4.04            #peak   421
 36 ARG+ HB3    37 GLY  HN      5.13            #peak   423
 36 ARG+ HN     36 ARG+ HB3     5.04            #peak   427
 11 TYR  HN     11 TYR  HB2     5.04            #peak   430
 11 TYR  HB2    12 LYS+ HN      5.50            #peak   431
 39 ILE  HN     39 ILE  HA      3.27            #peak   433
 39 ILE  HA     40 ASP- HN      2.77            #peak   438
 55 ASN  HA     55 ASN  HB2     2.65            #peak   439
 55 ASN  HA     56 THR  HN      3.30            #peak   440
 55 ASN  HN     55 ASN  HA      3.30            #peak   441
 55 ASN  HA     55 ASN  HB3     2.62            #peak   446
 14 CYSS HN     14 CYSS HB2     3.08            #peak   448
 23 LYS+ HN     23 LYS+ HB2     3.95            #peak   455
 23 LYS+ HB2    24 MET  HN      3.98            #peak   458
 22 TYR  HA     22 TYR  HB2     2.83            #peak   480
 22 TYR  HA     23 LYS+ HN      2.62            #peak   481
 22 TYR  HN     22 TYR  HA      3.33            #peak   482
 22 TYR  HA     53 CYSS HA      2.68            #peak   483
 22 TYR  HA     22 TYR  HB3     2.74            #peak   484
 23 LYS+ HA     23 LYS+ HB3     3.39            #peak   485
 23 LYS+ HA     37 GLY  HN      5.07            #peak   486
 23 LYS+ HA     23 LYS+ HB2     3.17            #peak   487
 23 LYS+ HN     23 LYS+ HA      4.20            #peak   488
 23 LYS+ HA     24 MET  HN      2.99            #peak   489
 44 LYS+ HN     44 LYS+ HB3     3.67            #peak   491
 44 LYS+ HB3    45 ASN  HN      4.60            #peak   492
 59 CYSS HA     60 ASN  HN      3.76            #peak   496
 59 CYSS HN     59 CYSS HA      3.08            #peak   497
 59 CYSS HA     59 CYSS HB2     2.55            #peak   498
 59 CYSS HA     59 CYSS HB3     2.59            #peak   499
 58 ARG+ HB3    59 CYSS HN      4.17            #peak   517
 58 ARG+ HN     58 ARG+ HB3     4.51            #peak   520
 29 ASP- HN     29 ASP- HB2     4.26            #peak   523
 29 ASP- HA     29 ASP- HB2     3.05            #peak   524
 48 LEU  HB2    49 VAL  HN      3.76            #peak   525
 18 LYS+ HN     18 LYS+ HB2     3.79            #peak   547
  5 LYS+ HB3     6 LEU  HN      3.58            #peak   563
  5 LYS+ HN      5 LYS+ HB3     4.10            #peak   565
  4 ASN  HN      4 ASN  HB2     3.17            #peak   567
  4 ASN  HB2     5 LYS+ HN      5.50            #peak   571
 36 ARG+ HB2    37 GLY  HN      5.50            #peak   573
 36 ARG+ HN     36 ARG+ HB2     4.20            #peak   579
 53 CYSS HN     53 CYSS HB2     3.36            #peak   584
 53 CYSS HB2    54 CYSS HN      3.73            #peak   585
 21 CYSS HA     21 CYSS HB3     4.10            #peak   602
 21 CYSS HA     21 CYSS HB2     3.02            #peak   603
 21 CYSS HA     39 ILE  HN      3.64            #peak   604
 21 CYSS HA     38 CYSS HA      2.71            #peak   606
 21 CYSS HN     21 CYSS HA      3.02            #peak   607
 21 CYSS HA     22 TYR  HN      3.02            #peak   608
 12 LYS+ HN     12 LYS+ HB3     4.54            #peak   609
 12 LYS+ HA     12 LYS+ HB3     2.90            #peak   610
 12 LYS+ HB3    13 THR  HN      3.89            #peak   611
 17 GLY  HA1    17 GLY  HA2     2.40            #peak   612
 17 GLY  HN     17 GLY  HA2     3.48            #peak   613
 17 GLY  HA2    18 LYS+ HN      4.07            #peak   614
 42 CYSS HA     42 CYSS HB3     3.11            #peak   615
 42 CYSS HA     42 CYSS HB2     2.96            #peak   616
 42 CYSS HN     42 CYSS HA      3.24            #peak   618
 56 THR  HN     56 THR  HB      4.01            #peak   622
 56 THR  HA     56 THR  HB      2.59            #peak   624
 56 THR  HB     57 ASP- HN      2.74            #peak   625
 24 MET  HB3    25 PHE  HN      4.51            #peak   630
 24 MET  HN     24 MET  HB3     3.42            #peak   631
 38 CYSS HN     38 CYSS HA      4.23            #peak   645
 38 CYSS HA     39 ILE  HN      2.62            #peak   646
 38 CYSS HA     38 CYSS HB3     3.21            #peak   648
 38 CYSS HA     38 CYSS HB2     2.93            #peak   650
 27 MET  HA     28 SER  HN      4.29            #peak   651
 27 MET  HA     27 MET  HB2     3.05            #peak   652
 27 MET  HN     27 MET  HA      3.11            #peak   654
 27 MET  HA     27 MET  HB3     2.77            #peak   656
 46 SER  HA     46 SER  HB3     2.68            #peak   658
 46 SER  HA     47 LEU  HN      3.36            #peak   659
 46 SER  HA     46 SER  HB2     2.83            #peak   660
 46 SER  HN     46 SER  HA      3.55            #peak   661
 60 ASN  HN     60 ASN  HB2     3.58            #peak   662
  2 LYS+ HN      2 LYS+ HA      3.48            #peak   693
  2 LYS+ HA     14 CYSS HN      3.70            #peak   694
  2 LYS+ HA      3 CYSS HN      2.71            #peak   695
  2 LYS+ HA     13 THR  HA      2.93            #peak   696
  2 LYS+ HA      2 LYS+ HB3     3.08            #peak   697
  2 LYS+ HA      2 LYS+ HB2     2.80            #peak   698
 34 VAL  HA     34 VAL  HB      2.96            #peak   700
 34 VAL  HA     35 LYS+ HN      4.07            #peak   705
 34 VAL  HN     34 VAL  HA      3.27            #peak   706
 50 LYS+ HA     50 LYS+ HB3     3.27            #peak   707
 50 LYS+ HN     50 LYS+ HB3     3.73            #peak   709
  2 LYS+ HN     13 THR  HA      5.50            #peak   712
 13 THR  HA     14 CYSS HN      2.80            #peak   713
  3 CYSS HN     13 THR  HA      4.20            #peak   715
 13 THR  HN     13 THR  HA      5.50            #peak   718
 43 PRO  HB3    43 PRO  HA      2.68            #peak   730
 43 PRO  HB2    43 PRO  HA      3.14            #peak   731
 43 PRO  HA     44 LYS+ HN      2.74            #peak   735
 38 CYSS HN     38 CYSS HB3     3.70            #peak   740
 38 CYSS HB3    39 ILE  HN      3.89            #peak   742
 54 CYSS HN     54 CYSS HB3     4.79            #peak   747
 19 ASN  HN     19 ASN  HB3     3.73            #peak   749
 19 ASN  HB3    20 LEU  HN      4.60            #peak   750
  3 CYSS HB2     4 ASN  HN      3.39            #peak   759
  3 CYSS HN      3 CYSS HB2     3.73            #peak   761
 20 LEU  HN     20 LEU  HA      3.76            #peak   763
 20 LEU  HA     20 LEU  HB3     3.70            #peak   764
 20 LEU  HA     21 CYSS HN      3.21            #peak   767
 44 LYS+ HN     44 LYS+ HB2     3.58            #peak   771
 44 LYS+ HB2    45 ASN  HN      4.76            #peak   772
 44 LYS+ HA     44 LYS+ HB2     3.36            #peak   773
 35 LYS+ HB3    36 ARG+ HN      3.45            #peak   789
 58 ARG+ HB2    59 CYSS HN      5.50            #peak   806
 58 ARG+ HN     58 ARG+ HB2     4.69            #peak   809
 29 ASP- HA     30 LEU  HN      3.02            #peak   811
 29 ASP- HN     29 ASP- HA      5.50            #peak   812
 29 ASP- HA     31 THR  HN      4.26            #peak   815
 48 LEU  HA     49 VAL  HN      3.92            #peak   816
 48 LEU  HN     48 LEU  HA      3.70            #peak   818
 13 THR  HB     14 CYSS HN      3.67            #peak   821
 13 THR  HA     13 THR  HB      3.39            #peak   822
 13 THR  HN     13 THR  HB      3.58            #peak   824
  5 LYS+ HB2     6 LEU  HN      5.50            #peak   837
  5 LYS+ HN      5 LYS+ HB2     3.70            #peak   840
  5 LYS+ HA      5 LYS+ HB2     4.82            #peak   841
  4 ASN  HN      4 ASN  HA      3.73            #peak   842
  4 ASN  HA      4 ASN  HB3     3.39            #peak   843
  4 ASN  HA      4 ASN  HB2     3.55            #peak   844
  4 ASN  HA      5 LYS+ HN      2.65            #peak   845
 36 ARG+ HA     37 GLY  HN      2.99            #peak   846
 36 ARG+ HA     36 ARG+ HB3     3.02            #peak   847
 36 ARG+ HA     36 ARG+ HB2     3.55            #peak   848
 36 ARG+ HN     36 ARG+ HA      3.33            #peak   849
 52 VAL  HB     53 CYSS HN      5.50            #peak   854
 52 VAL  HN     52 VAL  HB      3.39            #peak   856
 30 LEU  HN     30 LEU  HB3     3.45            #peak   884
 30 LEU  HB3    31 THR  HN      5.50            #peak   885
 16 GLU- HA     16 GLU- HB3     2.62            #peak   896
 16 GLU- HN     16 GLU- HA      3.02            #peak   897
 16 GLU- HA     17 GLY  HN      2.71            #peak   898
 16 GLU- HA     18 LYS+ HN      3.45            #peak   900
 41 VAL  HN     41 VAL  HB      3.33            #peak   903
 56 THR  HN     56 THR  HA      5.50            #peak   905
 56 THR  HA     57 ASP- HN      4.45            #peak   908
  2 LYS+ HN      2 LYS+ HB3     4.07            #peak   909
  2 LYS+ HB3     3 CYSS HN      4.79            #peak   910
 24 MET  HB2    25 PHE  HN      5.41            #peak   915
 24 MET  HN     24 MET  HB2     3.95            #peak   916
  9 ILE  HN      9 ILE  HB      3.79            #peak   917
  9 ILE  HB     10 ALA  HN      5.50            #peak   920
 15 PRO  HA     16 GLU- HN      2.80            #peak   928
 15 PRO  HB2    15 PRO  HA      3.02            #peak   929
 15 PRO  HB3    15 PRO  HA      2.74            #peak   930
 53 CYSS HN     53 CYSS HA      3.79            #peak   946
 53 CYSS HA     54 CYSS HN      2.74            #peak   948
 23 LYS+ HN     53 CYSS HA      3.83            #peak   949
 53 CYSS HA     53 CYSS HB2     3.21            #peak   950
 26 MET  HN     26 MET  HA      3.76            #peak   952
 26 MET  HA     26 MET  HB3     2.83            #peak   953
 26 MET  HA     27 MET  HN      2.52            #peak   954
 26 MET  HA     26 MET  HB2     3.14            #peak   956
 45 ASN  HB3    46 SER  HN      3.70            #peak   960
 45 ASN  HN     45 ASN  HB3     4.20            #peak   961
 60 ASN  HN     60 ASN  HA      3.33            #peak   963
 60 ASN  HA     60 ASN  HB3     2.68            #peak   964
 60 ASN  HA     60 ASN  HB2     2.68            #peak   966
  7 VAL  HA      7 VAL  HB      3.39            #peak   973
  7 VAL  HN      7 VAL  HA      3.73            #peak   974
  9 ILE  HN      9 ILE  HA      3.27            #peak   991
  9 ILE  HA     10 ALA  HN      3.86            #peak   992
  9 ILE  HA      9 ILE  HB      3.02            #peak   993
 32 ILE  HN     32 ILE  HA      3.98            #peak   998
 50 LYS+ HA     50 LYS+ HB2     3.42            #peak  1004
 50 LYS+ HN     50 LYS+ HB2     3.36            #peak  1006
 50 LYS+ HB2    51 TYR  HN      3.76            #peak  1007
 10 ALA  HA     11 TYR  HN      3.42            #peak  1015
 10 ALA  HN     10 ALA  HA      3.67            #peak  1016
 38 CYSS HN     38 CYSS HB2     3.95            #peak  1018
 38 CYSS HB2    39 ILE  HN      3.45            #peak  1020
 54 CYSS HN     54 CYSS HB2     3.83            #peak  1026
 19 ASN  HN     19 ASN  HB2     3.45            #peak  1028
 19 ASN  HB2    20 LEU  HN      4.17            #peak  1029
 33 PRO  HB3    35 LYS+ HN      4.79            #peak  1047
 33 PRO  HB3    34 VAL  HN      4.01            #peak  1048
  3 CYSS HB3     4 ASN  HN      3.67            #peak  1055
  3 CYSS HN      3 CYSS HB3     3.58            #peak  1057
 19 ASN  HN     19 ASN  HA      3.39            #peak  1060
 19 ASN  HA     19 ASN  HB3     2.93            #peak  1063
 19 ASN  HA     19 ASN  HB2     3.11            #peak  1064
 44 LYS+ HN     44 LYS+ HA      3.48            #peak  1068
 44 LYS+ HA     45 ASN  HN      3.05            #peak  1069
 57 ASP- HA     57 ASP- HB3     3.55            #peak  1071
 57 ASP- HN     57 ASP- HB3     2.93            #peak  1072
 57 ASP- HB3    58 ARG+ HN      3.79            #peak  1073
 58 ARG+ HA     59 CYSS HN      3.61            #peak  1091
 58 ARG+ HA     58 ARG+ HB3     3.17            #peak  1093
 58 ARG+ HA     58 ARG+ HB2     4.10            #peak  1096
 58 ARG+ HN     58 ARG+ HA      2.77            #peak  1097
 28 SER  HA     28 SER  HB3     2.40            #peak  1098
 28 SER  HN     28 SER  HA      3.14            #peak  1099
 47 LEU  HN     47 LEU  HA      4.79            #peak  1102
 47 LEU  HA     47 LEU  HB2     2.86            #peak  1103
 47 LEU  HA     48 LEU  HN      3.70            #peak  1105
 47 LEU  HA     47 LEU  HB3     3.08            #peak  1106
 31 THR  HB     32 ILE  HN      4.85            #peak  1107
 31 THR  HN     31 THR  HB      3.55            #peak  1108
 49 VAL  HN     49 VAL  HA      3.52            #peak  1127
 49 VAL  HA     50 LYS+ HN      2.59            #peak  1129
 49 VAL  HA     49 VAL  HB      2.90            #peak  1131
 52 VAL  HA     53 CYSS HN      2.90            #peak  1138
 52 VAL  HA     52 VAL  HB      3.39            #peak  1139
 52 VAL  HN     52 VAL  HA      3.61            #peak  1140
 27 MET  HB3    28 SER  HN      4.14            #peak  1149
 30 LEU  HN     30 LEU  HB2     4.10            #peak  1153
 30 LEU  HB2    31 THR  HN      3.95            #peak  1154
 12 LYS+ HA     12 LYS+ HB2     4.54            #peak  1159
 12 LYS+ HN     12 LYS+ HA      4.38            #peak  1160
 12 LYS+ HA     13 THR  HN      5.10            #peak  1163
 40 ASP- HA     40 ASP- QB      3.56            #peak  1165
 40 ASP- QB     41 VAL  HN      4.67            #peak  1168
 40 ASP- HN     40 ASP- QB      4.24            #peak  1170
 55 ASN  HB3    56 THR  HN      4.42            #peak  1173
 55 ASN  HN     55 ASN  HB3     3.83            #peak  1175
  2 LYS+ HN      2 LYS+ HB2     3.98            #peak  1181
  2 LYS+ HB2     3 CYSS HN      4.29            #peak  1184
 39 ILE  HN     39 ILE  HB      3.89            #peak  1205
 22 TYR  HB3    23 LYS+ HN      3.17            #peak  1209
 22 TYR  HN     22 TYR  HB3     3.67            #peak  1210
 25 PHE  HA     26 MET  HN      3.21            #peak  1213
 25 PHE  HN     25 PHE  HA      4.10            #peak  1217
 25 PHE  HA     34 VAL  HN      3.55            #peak  1218
 45 ASN  HB2    46 SER  HN      4.07            #peak  1224
 45 ASN  HN     45 ASN  HB2     3.98            #peak  1225
  1 LEU  HN      1 LEU  HB3     5.50            #peak  1227
 59 CYSS HB3    60 ASN  HN      5.50            #peak  1228
 59 CYSS HN     59 CYSS HB3     5.00            #peak  1229
 51 TYR  HA     51 TYR  HB3     3.36            #peak  1238
 24 MET  HA     51 TYR  HA      2.86            #peak  1239
 51 TYR  HN     51 TYR  HA      3.70            #peak  1241
 51 TYR  HA     52 VAL  HN      2.65            #peak  1242
 15 PRO  HB3    16 GLU- HN      3.79            #peak  1245
 41 VAL  HA     42 CYSS HN      2.65            #peak  1249
 41 VAL  HN     41 VAL  HA      3.33            #peak  1250
 41 VAL  HA     41 VAL  HB      3.24            #peak  1251
 30 LEU  HN     30 LEU  HA      3.42            #peak  1252
 30 LEU  HA     31 THR  HN      3.61            #peak  1257
 30 LEU  HA     30 LEU  HB3     3.39            #peak  1258
 30 LEU  HA     30 LEU  HB2     3.08            #peak  1259
 49 VAL  HN     49 VAL  HB      3.67            #peak  1262
 49 VAL  HB     50 LYS+ HN      3.17            #peak  1263
  5 LYS+ HA      6 LEU  HN      3.67            #peak  1278
  5 LYS+ HA      5 LYS+ HB3     3.05            #peak  1279
  5 LYS+ HN      5 LYS+ HA      5.50            #peak  1281
 37 GLY  HA1    38 CYSS HN      3.39            #peak  1282
 37 GLY  HN     37 GLY  HA1     3.89            #peak  1283
 54 CYSS HA     55 ASN  HN      2.59            #peak  1286
 54 CYSS HN     54 CYSS HA      3.36            #peak  1287
 54 CYSS HA     54 CYSS HB3     2.55            #peak  1288
 54 CYSS HA     54 CYSS HB2     2.59            #peak  1289
 47 LEU  HN     47 LEU  HB3     3.83            #peak  1294
 33 PRO  HG3    33 PRO  HB2     4.26            #peak     9
 12 LYS+ HG3    12 LYS+ QD      4.49            #peak    20
 18 LYS+ HA     18 LYS+ QE      6.13            #peak    24
 18 LYS+ HA     18 LYS+ HG2     3.70            #peak    25
 25 PHE  QD     25 PHE  HB2     6.38            #peak    38
 25 PHE  HB2    50 LYS+ HB2     3.64            #peak    41
 43 PRO  HG3    43 PRO  HB3     3.36            #peak    56
 43 PRO  HG2    43 PRO  HB3     3.48            #peak    58
 18 LYS+ HB3    18 LYS+ QD      4.27            #peak    88
 18 LYS+ HB3    18 LYS+ QE      5.42            #peak    90
 18 LYS+ HB3    18 LYS+ HG3     2.40            #peak    92
  5 LYS+ HD2    11 TYR  HA      4.76            #peak    96
  5 LYS+ QG     11 TYR  HA      5.42            #peak    98
 35 LYS+ HA     35 LYS+ HG3     3.61            #peak   103
 35 LYS+ HA     35 LYS+ HG2     3.79            #peak   104
 32 ILE  HA     32 ILE  HG12    4.35            #peak   121
 32 ILE  HG13   32 ILE  HG12    2.40            #peak   122
 25 PHE  QD     33 PRO  HA      7.28            #peak   133
 30 LEU  HN     30 LEU  HG      4.29            #peak   141
 30 LEU  HG     31 THR  HN      5.50            #peak   144
 11 TYR  QD     11 TYR  HB3     6.71            #peak   152
  2 LYS+ HB2    11 TYR  HB3     3.73            #peak   153
 55 ASN  HB2    55 ASN  HD21    4.51            #peak   162
 14 CYSS HB3    15 PRO  HD3     4.26            #peak   167
  9 ILE  HB      9 ILE  HG12    4.48            #peak   170
 23 LYS+ HB3    52 VAL  HN      5.50            #peak   175
 22 TYR  QD     22 TYR  HB2     6.28            #peak   194
 50 LYS+ HG2    51 TYR  HN      4.79            #peak   198
 50 LYS+ HB2    50 LYS+ HG2     3.17            #peak   200
 24 MET  HA     24 MET  HG3     3.67            #peak   202
  8 PRO  HB3     8 PRO  HB2     2.43            #peak   222
  6 LEU  HA     36 ARG+ HD3     4.14            #peak   238
  6 LEU  HA     36 ARG+ HB2     3.67            #peak   239
 15 PRO  HG2    15 PRO  HG3     2.40            #peak   261
 15 PRO  HG3    18 LYS+ HG3     3.95            #peak   263
  4 ASN  HB3     4 ASN  HD21    5.50            #peak   270
 22 TYR  QE     37 GLY  HA2     7.63            #peak   279
 42 CYSS HB2    53 CYSS HB3     3.95            #peak   281
 20 LEU  HB2    53 CYSS HB3     3.45            #peak   282
 58 ARG+ HG2    58 ARG+ HD2     4.04            #peak   289
 58 ARG+ HG3    58 ARG+ HD2     4.32            #peak   290
 58 ARG+ HD3    58 ARG+ HD2     2.40            #peak   291
 21 CYSS HB2    60 ASN  HN      4.79            #peak   312
 42 CYSS HB3    42 CYSS HB2     2.40            #peak   323
 42 CYSS HB2    53 CYSS HB2     2.40            #peak   327
 42 CYSS HB2    43 PRO  HD2     4.88            #peak   329
 25 PHE  HB2    25 PHE  HB3     2.40            #peak   336
 25 PHE  QD     25 PHE  HB3     6.41            #peak   338
  8 PRO  HD2     8 PRO  HA      5.00            #peak   349
 24 MET  HA     24 MET  HG2     3.83            #peak   352
 43 PRO  HB3    43 PRO  HB2     2.46            #peak   360
 43 PRO  HG3    43 PRO  HB2     4.07            #peak   364
 43 PRO  HD2    43 PRO  HB2     4.69            #peak   365
 28 SER  HB3    28 SER  HB2     2.40            #peak   373
 60 ASN  HB3    60 ASN  HD22    3.55            #peak   384
 20 LEU  HB2    54 CYSS HN      5.50            #peak   390
 32 ILE  HB     32 ILE  HG12    3.89            #peak   412
 36 ARG+ HB3    60 ASN  HA      5.50            #peak   428
 39 ILE  HA     39 ILE  HG13    2.74            #peak   435
 18 LYS+ QE     39 ILE  HA      6.19            #peak   436
 39 ILE  HA     39 ILE  HG12    3.52            #peak   437
 55 ASN  HA     55 ASN  HD21    5.38            #peak   445
 14 CYSS HB3    14 CYSS HB2     2.40            #peak   449
  1 LEU  HB3    14 CYSS HB2     4.32            #peak   451
 23 LYS+ HB2    52 VAL  HN      5.50            #peak   457
 14 CYSS HA     15 PRO  HD3     2.55            #peak   460
 15 PRO  HG3    15 PRO  HD3     3.08            #peak   462
 15 PRO  HG2    15 PRO  HD3     3.39            #peak   463
 33 PRO  HD2    33 PRO  HG3     3.39            #peak   468
 33 PRO  HB3    33 PRO  HG3     3.55            #peak   470
 23 LYS+ HD2    33 PRO  HG3     3.08            #peak   471
  8 PRO  HG2     8 PRO  HB3     2.62            #peak   503
 27 MET  HB2    27 MET  HG3     3.24            #peak   504
 58 ARG+ HB2    58 ARG+ HB3     3.27            #peak   518
 26 MET  HB3    26 MET  HB2     2.40            #peak   535
 18 LYS+ HB3    18 LYS+ HB2     2.40            #peak   542
 18 LYS+ HB2    18 LYS+ QE      4.67            #peak   543
 18 LYS+ HB2    38 CYSS HB2     5.50            #peak   544
 18 LYS+ HB2    18 LYS+ HG2     3.27            #peak   545
 15 PRO  HD2    18 LYS+ HB2     3.89            #peak   546
 35 LYS+ HG3    36 ARG+ HD3     5.50            #peak   548
 36 ARG+ HB2    36 ARG+ HD3     4.07            #peak   551
 15 PRO  HG2    18 LYS+ QE      5.07            #peak   557
 15 PRO  HD2    15 PRO  HG2     3.42            #peak   559
  5 LYS+ HB3     5 LYS+ QG      5.20            #peak   561
  4 ASN  HB2     4 ASN  HD21    3.79            #peak   569
  4 ASN  HB2     4 ASN  HD22    4.85            #peak   572
 36 ARG+ HB3    36 ARG+ HB2     2.68            #peak   575
 23 LYS+ HB2    36 ARG+ HB2     5.50            #peak   576
 36 ARG+ HB2    36 ARG+ HG2     3.79            #peak   580
 53 CYSS HB3    53 CYSS HB2     2.40            #peak   581
 20 LEU  HB2    53 CYSS HB2     4.35            #peak   583
 26 MET  HB3    26 MET  HG3     3.33            #peak   594
 26 MET  HB2    26 MET  HG3     3.24            #peak   595
 33 PRO  HA     33 PRO  HD3     4.10            #peak   598
 25 PHE  HZ     33 PRO  HD3     3.95            #peak   600
 42 CYSS HA     43 PRO  HD3     2.59            #peak   619
 42 CYSS HA     43 PRO  HD2     3.05            #peak   620
  2 LYS+ HB2     2 LYS+ QD      5.01            #peak   626
 22 TYR  QD     24 MET  HB3     7.30            #peak   628
 24 MET  HB2    24 MET  HB3     2.52            #peak   629
 23 LYS+ HG2    25 PHE  HZ      4.91            #peak   632
 43 PRO  HD2    43 PRO  HD3     2.49            #peak   638
 43 PRO  HG2    43 PRO  HD3     3.76            #peak   639
 15 PRO  HG3    39 ILE  HG13    5.50            #peak   641
 39 ILE  HG13   40 ASP- HN      3.48            #peak   644
 22 TYR  QD     38 CYSS HA      7.64            #peak   649
 27 MET  HA     30 LEU  HG      3.79            #peak   653
 27 MET  HA     27 MET  HG2     3.70            #peak   655
 60 ASN  HB3    60 ASN  HB2     2.40            #peak   663
 23 LYS+ HG2    60 ASN  HB2     5.44            #peak   664
 60 ASN  HB2    60 ASN  HD22    4.48            #peak   665
 23 LYS+ HE2    60 ASN  HB2     3.33            #peak   667
 12 LYS+ QD     35 LYS+ QE      6.07            #peak   668
 35 LYS+ HD3    35 LYS+ QE      4.21            #peak   670
 35 LYS+ HD2    35 LYS+ QE      4.64            #peak   671
 50 LYS+ HB3    50 LYS+ HG2     4.04            #peak   708
 16 GLU- HB2    16 GLU- QG      3.87            #peak   724
 16 GLU- QG     17 GLY  HN      6.38            #peak   725
 33 PRO  HB2    36 ARG+ HG3     3.30            #peak   727
 36 ARG+ HG3    36 ARG+ HD2     3.45            #peak   728
 43 PRO  HD3    43 PRO  HA      4.57            #peak   732
 43 PRO  HD2    43 PRO  HA      5.19            #peak   734
 57 ASP- HA     58 ARG+ HG2     5.50            #peak   755
 33 PRO  HG2    35 LYS+ HN      5.50            #peak   758
  3 CYSS HB3     3 CYSS HB2     2.40            #peak   762
  8 PRO  HD3     9 ILE  HN      5.50            #peak   781
  8 PRO  HG3     8 PRO  HD3     3.55            #peak   783
  7 VAL  HA      8 PRO  HD3     2.80            #peak   784
  8 PRO  HG2     8 PRO  HD3     3.61            #peak   785
 35 LYS+ HB3    35 LYS+ HG3     3.39            #peak   787
 22 TYR  QD     35 LYS+ HB3     7.45            #peak   788
 35 LYS+ HB2    35 LYS+ HB3     2.43            #peak   790
 43 PRO  HA     43 PRO  HG3     4.85            #peak   803
 43 PRO  HD2    43 PRO  HG3     4.14            #peak   804
 48 LEU  HA     48 LEU  HG      3.21            #peak   819
 50 LYS+ HG3    51 TYR  HN      4.54            #peak   825
 18 LYS+ HG3    18 LYS+ QE      5.45            #peak   828
 36 ARG+ HB3    36 ARG+ HD2     4.10            #peak   832
  5 LYS+ HB2     5 LYS+ QG      6.38            #peak   836
 23 LYS+ HG3    52 VAL  HB      3.61            #peak   853
 23 LYS+ HD3    52 VAL  HB      4.97            #peak   855
 26 MET  HB3    26 MET  HG2     3.11            #peak   861
 26 MET  HB2    26 MET  HG2     3.11            #peak   863
 26 MET  HG3    26 MET  HG2     2.40            #peak   864
 27 MET  HG3    27 MET  HG2     2.40            #peak   872
 33 PRO  HA     33 PRO  HD2     4.57            #peak   875
 32 ILE  HA     33 PRO  HD2     2.83            #peak   881
 33 PRO  HB3    33 PRO  HD2     4.69            #peak   882
 16 GLU- HA     16 GLU- QG      4.67            #peak   899
 22 TYR  QD     24 MET  HB2     6.90            #peak   914
 23 LYS+ HD3    25 PHE  QE      7.62            #peak   927
 22 TYR  HB2    43 PRO  HD2     5.50            #peak   931
 39 ILE  HG12   41 VAL  HN      3.73            #peak   943
 39 ILE  HG12   40 ASP- HN      3.21            #peak   944
 26 MET  HA     26 MET  HG3     4.38            #peak   957
 26 MET  HA     26 MET  HG2     4.32            #peak   958
 23 LYS+ HE2    60 ASN  HA      3.73            #peak   967
 23 LYS+ HD2    60 ASN  HA      4.14            #peak   968
  8 PRO  HB3     8 PRO  HG3     3.21            #peak   969
  9 ILE  HA      9 ILE  HG13    4.76            #peak   995
 32 ILE  HA     32 ILE  HG13    4.60            #peak  1002
  6 LEU  HA     36 ARG+ HG2     5.50            #peak  1009
 36 ARG+ HA     36 ARG+ HG2     3.52            #peak  1011
 15 PRO  HG2    38 CYSS HB2     4.38            #peak  1022
 38 CYSS HB3    38 CYSS HB2     2.40            #peak  1024
  1 LEU  HB2    19 ASN  HB2     5.50            #peak  1030
 19 ASN  HB2    19 ASN  HD22    5.50            #peak  1031
 19 ASN  HB2    19 ASN  HD21    3.76            #peak  1033
 19 ASN  HB3    19 ASN  HB2     2.40            #peak  1034
 23 LYS+ HB2    23 LYS+ HE2     3.58            #peak  1037
 23 LYS+ HG2    23 LYS+ HE2     3.64            #peak  1038
 33 PRO  HB2    33 PRO  HB3     3.05            #peak  1041
  1 LEU  HB2    19 ASN  HA      5.38            #peak  1061
  8 PRO  HD2     9 ILE  HN      4.72            #peak  1074
  8 PRO  HG3     8 PRO  HD2     3.48            #peak  1076
  7 VAL  HA      8 PRO  HD2     2.86            #peak  1077
  8 PRO  HG2     8 PRO  HD2     3.08            #peak  1078
 43 PRO  HB2    43 PRO  HG2     2.74            #peak  1086
 42 CYSS HA     43 PRO  HG2     5.50            #peak  1087
 43 PRO  HD2    43 PRO  HG2     3.52            #peak  1090
 58 ARG+ HA     58 ARG+ HG2     3.83            #peak  1094
 58 ARG+ HA     58 ARG+ HG3     5.00            #peak  1095
 20 LEU  HN     20 LEU  HG      4.88            #peak  1114
 18 LYS+ HB3    18 LYS+ HG2     3.76            #peak  1118
 18 LYS+ HG2    18 LYS+ QD      4.45            #peak  1119
 18 LYS+ HG2    18 LYS+ QE      5.42            #peak  1122
 18 LYS+ HG2    40 ASP- HN      4.88            #peak  1124
 27 MET  HG2    49 VAL  HA      4.23            #peak  1130
 22 TYR  QD     35 LYS+ HB2     7.33            #peak  1134
 32 ILE  HB     32 ILE  HG13    2.74            #peak  1144
 18 LYS+ HA     40 ASP- QB      4.83            #peak  1164
 55 ASN  HB3    55 ASN  HD22    4.51            #peak  1178
 55 ASN  HB3    55 ASN  HD21    4.04            #peak  1179
  2 LYS+ HB2    57 ASP- HB2     5.50            #peak  1180
  2 LYS+ HB2    11 TYR  QD      7.64            #peak  1187
  9 ILE  HN      9 ILE  HG13    4.94            #peak  1188
  9 ILE  HB      9 ILE  HG13    4.38            #peak  1191
 14 CYSS HA     15 PRO  HD2     2.83            #peak  1196
 15 PRO  HD2    18 LYS+ HB3     3.42            #peak  1197
 15 PRO  HG3    15 PRO  HD2     3.64            #peak  1198
 15 PRO  HD3    15 PRO  HD2     2.40            #peak  1199
 15 PRO  HD2    18 LYS+ QE      5.69            #peak  1202
 15 PRO  HD2    18 LYS+ HG3     4.38            #peak  1203
 15 PRO  HD2    18 LYS+ HN      5.50            #peak  1204
 22 TYR  QD     22 TYR  HB3     6.31            #peak  1211
 25 PHE  HA     25 PHE  QD      7.62            #peak  1215
  8 PRO  HG2     9 ILE  HN      5.22            #peak  1233
 15 PRO  HG2    15 PRO  HB3     2.40            #peak  1246
 25 PHE  HB2    30 LEU  HA      5.04            #peak  1253
 30 LEU  HA     30 LEU  HG      4.07            #peak  1254
 25 PHE  QD     30 LEU  HA      6.91            #peak  1255
 25 PHE  HB3    30 LEU  HA      3.64            #peak  1256
 22 TYR  QE     37 GLY  HA1     7.26            #peak  1285
 58 ARG+ HB3    58 ARG+ HD3     4.42            #peak  1291
 58 ARG+ HG3    58 ARG+ HD3     4.51            #peak  1292
 58 ARG+ HB2    58 ARG+ HD3     5.47            #peak  1293
 23 LYS+ HB3    52 VAL  QG2     4.36            #peak     1
 25 PHE  HZ     52 VAL  QG2     3.99            #peak     2
 52 VAL  HB     52 VAL  QG2     3.43            #peak     3
 52 VAL  HN     52 VAL  QG2     4.51            #peak     4
 52 VAL  HA     52 VAL  QG2     3.89            #peak     5
 49 VAL  HN     49 VAL  QG1     4.39            #peak    46
 49 VAL  QG1    51 TYR  QE      7.14            #peak    48
 49 VAL  HA     49 VAL  QG1     4.79            #peak    50
 49 VAL  HB     49 VAL  QG1     3.43            #peak    51
 20 LEU  HB3    20 LEU  QD1     5.10            #peak    85
  7 VAL  HB      7 VAL  QG1     3.61            #peak   114
  7 VAL  HN      7 VAL  QG1     4.33            #peak   115
  7 VAL  HA      7 VAL  QG1     4.05            #peak   116
 40 ASP- HA     41 VAL  QG1     6.53            #peak   154
 22 TYR  HB2    39 ILE  QG2     4.45            #peak   177
 20 LEU  HB2    39 ILE  QG2     4.33            #peak   178
 39 ILE  HN     39 ILE  QG2     4.20            #peak   179
 39 ILE  QG2    42 CYSS HN      6.19            #peak   182
 39 ILE  QG2    41 VAL  HN      5.13            #peak   183
 39 ILE  QG2    39 ILE  HG13    3.99            #peak   184
 22 TYR  QD     39 ILE  QG2     7.30            #peak   185
 39 ILE  QG2    39 ILE  HG12    4.26            #peak   186
 39 ILE  QG2    40 ASP- HN      5.19            #peak   187
 38 CYSS HB2    39 ILE  QG2     5.85            #peak   188
 22 TYR  HB3    39 ILE  QG2     5.32            #peak   189
  8 PRO  HB2     9 ILE  QD1     6.37            #peak   220
 13 THR  QG2    14 CYSS HN      4.33            #peak   223
 13 THR  HA     13 THR  QG2     3.95            #peak   224
  6 LEU  QD2    35 LYS+ HG3     4.61            #peak   228
 41 VAL  QG2    42 CYSS HN      4.73            #peak   230
 41 VAL  HN     41 VAL  QG2     4.48            #peak   231
 41 VAL  HB     41 VAL  QG2     3.52            #peak   232
  6 LEU  HA      6 LEU  QD2     5.32            #peak   240
 34 VAL  HB     34 VAL  QG2     3.64            #peak   251
 26 MET  HG3    34 VAL  QG2     5.04            #peak   252
 34 VAL  QG2    35 LYS+ QE      6.72            #peak   253
 34 VAL  HA     34 VAL  QG2     3.77            #peak   254
 26 MET  HG2    34 VAL  QG2     4.08            #peak   255
 34 VAL  QG2    35 LYS+ HD3     4.39            #peak   256
 34 VAL  HN     34 VAL  QG2     4.39            #peak   257
 20 LEU  QD1    53 CYSS HB3     5.13            #peak   288
 25 PHE  HZ     52 VAL  QG1     5.44            #peak   301
 52 VAL  QG1    53 CYSS HN      4.61            #peak   302
 52 VAL  HB     52 VAL  QG1     3.43            #peak   303
 52 VAL  HN     52 VAL  QG1     5.66            #peak   304
 52 VAL  HA     52 VAL  QG1     3.80            #peak   305
  9 ILE  HG12    9 ILE  QD1     3.43            #peak   308
  9 ILE  HB      9 ILE  QD1     4.70            #peak   310
  9 ILE  HG13    9 ILE  QD1     4.08            #peak   311
 24 MET  HG2    49 VAL  QG1     5.94            #peak   351
 20 LEU  HB2    20 LEU  QD1     5.35            #peak   395
 48 LEU  HB3    48 LEU  QD2     3.49            #peak   411
 39 ILE  HA     39 ILE  QG2     5.04            #peak   432
 20 LEU  QD1    55 ASN  HA      4.20            #peak   444
 47 LEU  HA     47 LEU  QD2     3.83            #peak   453
 32 ILE  QD1    33 PRO  HG3     5.35            #peak   467
 39 ILE  QG2    39 ILE  QD1     5.51            #peak   472
 39 ILE  HA     39 ILE  QD1     4.85            #peak   473
 39 ILE  QD1    41 VAL  HN      6.12            #peak   474
 39 ILE  QD1    43 PRO  HD3     4.92            #peak   475
 39 ILE  HG13   39 ILE  QD1     3.89            #peak   476
 39 ILE  QD1    43 PRO  HG3     4.79            #peak   477
 39 ILE  HG12   39 ILE  QD1     4.23            #peak   478
 39 ILE  QD1    40 ASP- HN      5.44            #peak   479
 39 ILE  HA     22 TYR  QE      6.22           
 39 ILE  HB     22 TYR  QE      4.91           
 39 ILE  HB     39 ILE  HA      2.74           
 39 ILE  HN     20 LEU  HB2     4.21           
 39 ILE  HN     20 LEU  HN      3.43           
 39 ILE  HN     21 CYSS HA      4.29           
 39 ILE  HN     22 TYR  QE      7.33
 48 LEU  HA     27 MET  HB2     3.83
 48 LEU  HA     27 MET  HG2     3.61  
 52 VAL  HB     23 LYS+ HN      4.72           
 52 VAL  HB     25 PHE  QE      6.57           
 52 VAL  HN     23 LYS+ HN      2.62           
 52 VAL  HN     24 MET  HA      3.49                    
 52 VAL  QG1    23 LYS+ HN      6.53           
 52 VAL  QG1    25 PHE  QE      8.65           
 52 VAL  QG2    23 LYS+ HN      6.53           
 52 VAL  QG2    25 PHE  HZ      6.14           
 52 VAL  QG2    25 PHE  QD      7.15           
 52 VAL  QG2    25 PHE  QE      6.52           
 52 VAL  QG2    52 VAL  HN      4.76           
 53 CYSS HA     22 TYR  HA      2.69           
 53 CYSS HA     23 LYS+ HN      3.55           
 53 CYSS HB3    20 LEU  HB3     3.73           
 53 CYSS HB3    22 TYR  HA      5.50               
  1 LEU  QD2    20 LEU  HN      6.53            #peak   494
  6 LEU  QD1    35 LYS+ HG2     4.08            #peak   509
 34 VAL  HB     34 VAL  QG1     3.80            #peak   528
 34 VAL  HA     34 VAL  QG1     4.98            #peak   529
 34 VAL  QG1    35 LYS+ HN      5.01            #peak   531
 26 MET  HA     34 VAL  QG1     6.53            #peak   532
 34 VAL  HN     34 VAL  QG1     3.99            #peak   533
 20 LEU  QD1    53 CYSS HB2     5.78            #peak   588
 32 ILE  HB     32 ILE  QG2     3.52            #peak   589
 32 ILE  QG2    33 PRO  HD2     4.70            #peak   590
 32 ILE  HA     32 ILE  QG2     4.33            #peak   591
 32 ILE  QG2    32 ILE  HG13    4.33            #peak   592
 41 VAL  QG1    42 CYSS HA      6.19            #peak   617
 20 LEU  HB3    20 LEU  QD2     4.85            #peak   672
 20 LEU  QD2    55 ASN  HB2     4.36            #peak   673
 20 LEU  QD2    53 CYSS HB3     4.70            #peak   674
 20 LEU  HB2    20 LEU  QD2     3.80            #peak   675
 20 LEU  QD2    55 ASN  HA      4.54            #peak   676
 20 LEU  QD2    55 ASN  HN      6.22            #peak   677
 20 LEU  QD2    54 CYSS HN      5.50            #peak   678
 20 LEU  QD2    53 CYSS HB2     5.19            #peak   679
 20 LEU  HA     20 LEU  QD2     3.83            #peak   680
 19 ASN  HB2    20 LEU  QD2     4.36            #peak   681
 20 LEU  HG     20 LEU  QD2     3.64            #peak   682
 20 LEU  QD2    55 ASN  HB3     4.51            #peak   684
 30 LEU  QD1    50 LYS+ HB3     5.60            #peak   711
 48 LEU  HB2    48 LEU  QD1     3.46            #peak   719
 48 LEU  HA     48 LEU  QD1     3.80            #peak   720
  6 LEU  QD1    36 ARG+ HG3     5.07            #peak   729
 10 ALA  QB     11 TYR  HN      4.42            #peak   736
 10 ALA  HN     10 ALA  QB      4.20            #peak   737
 10 ALA  HA     10 ALA  QB      4.02            #peak   739
 20 LEU  HA     20 LEU  QD1     5.29            #peak   768
  1 LEU  QD1     2 LYS+ HN      6.53            #peak   774
  1 LEU  QD1    57 ASP- HN      6.53            #peak   775
  6 LEU  QD2    35 LYS+ HA      5.32            #peak   791
  6 LEU  HB2     6 LEU  QD2     4.42            #peak   794
  6 LEU  QD2    35 LYS+ HG2     4.17            #peak   795
  6 LEU  QD2    34 VAL  HA      5.26            #peak   796
  5 LYS+ HB2    10 ALA  QB      6.53            #peak   839
 26 MET  HG2    34 VAL  QG1     4.45            #peak   862
 32 ILE  HG12   32 ILE  QD1     3.99            #peak   866
 32 ILE  HB     32 ILE  QD1     4.36            #peak   867
 32 ILE  HA     32 ILE  QD1     4.85            #peak   869
 32 ILE  QD1    33 PRO  HB3     5.81            #peak   870
 32 ILE  HG13   32 ILE  QD1     3.92            #peak   871
 56 THR  HN     56 THR  QG2     4.42            #peak   889
 55 ASN  HN     56 THR  QG2     4.98            #peak   890
 56 THR  HB     56 THR  QG2     3.43            #peak   891
 56 THR  HA     56 THR  QG2     3.43            #peak   892
 56 THR  QG2    57 ASP- HN      4.36            #peak   893
 39 ILE  HG12   41 VAL  QG1     6.40            #peak   942
 20 LEU  HN     20 LEU  QD1     6.53            #peak   979
 20 LEU  QD1    54 CYSS HN      6.53            #peak   984
 20 LEU  QD1    56 THR  QG2     7.56            #peak   987
 20 LEU  QD1    40 ASP- HN      6.53            #peak   988
  9 ILE  HA      9 ILE  QG2     4.26            #peak   994
 30 LEU  HN     30 LEU  QD2     6.40            #peak  1012
 30 LEU  HB3    30 LEU  QD2     4.17            #peak  1013
 30 LEU  HB2    30 LEU  QD2     4.05            #peak  1014
 47 LEU  QD1    47 LEU  HG      4.45            #peak  1036
  9 ILE  QG2     9 ILE  HG12    3.71            #peak  1050
  9 ILE  QG2    10 ALA  HN      5.78            #peak  1051
  9 ILE  HB      9 ILE  QG2     3.83            #peak  1052
  9 ILE  QG2     9 ILE  HG13    4.14            #peak  1054
  1 LEU  QD1     3 CYSS HB3     6.40            #peak  1059
  1 LEU  QD2    19 ASN  HA      4.36            #peak  1062
  6 LEU  QD1    35 LYS+ HA      4.45            #peak  1079
  6 LEU  QD1    35 LYS+ HG3     6.53            #peak  1080
  6 LEU  HA      6 LEU  QD1     3.95            #peak  1081
  6 LEU  QD1    36 ARG+ HN      5.32            #peak  1084
 31 THR  HA     31 THR  QG2     3.77            #peak  1110
 31 THR  HN     31 THR  QG2     3.99            #peak  1112
 31 THR  HB     31 THR  QG2     3.55            #peak  1113
 40 ASP- QB     41 VAL  QG2     5.42            #peak  1166
 20 LEU  QD1    40 ASP- QB      7.40            #peak  1169
  1 LEU  QD1    55 ASN  HB3     6.25            #peak  1177
 41 VAL  HA     41 VAL  QG2     3.74            #peak  1248
 30 LEU  HN     30 LEU  QD1     4.95            #peak  1268
 25 PHE  HB2    30 LEU  QD1     4.26            #peak  1269
 30 LEU  HG     30 LEU  QD1     3.43            #peak  1270
 25 PHE  HB3    30 LEU  QD1     4.14            #peak  1271
 27 MET  HA     30 LEU  QD1     3.83            #peak  1272
 30 LEU  HB3    30 LEU  QD1     4.17            #peak  1274
 30 LEU  QD1    33 PRO  HB3     6.53            #peak  1275
 30 LEU  HB2    30 LEU  QD1     4.02            #peak  1276
 30 LEU  HA     30 LEU  QD1     3.58            #peak  1277
#disulfide bonds
  3 CYSS SG     21 CYSS SG      2.10
  3 CYSS SG     21 CYSS CB      3.10
  3 CYSS CB     21 CYSS SG      3.10
 14 CYSS SG     38 CYSS SG      2.10
 14 CYSS SG     38 CYSS CB      3.10
 14 CYSS CB     38 CYSS SG      3.10
 42 CYSS SG     53 CYSS SG      2.10
 42 CYSS SG     53 CYSS CB      3.10
 42 CYSS CB     53 CYSS SG      3.10
 54 CYSS SG     59 CYSS SG      2.10
 54 CYSS SG     59 CYSS CB      3.10
 54 CYSS CB     59 CYSS SG      3.10
#hydrogen bonds
  3 CYSS HN     12 LYS+ O       2.20  9.00E+00
  3 CYSS HN     12 LYS+ C       3.50  9.00E+00
  3 CYSS N      12 LYS+ O       3.30  9.00E+00
  5 LYS+ HN     10 ALA  O       2.20  9.00E+00
  5 LYS+ HN     10 ALA  C       3.50  9.00E+00
  5 LYS+ N      10 ALA  O       3.30  9.00E+00
  7 VAL  O      10 ALA  HN      2.20  9.00E+00
  7 VAL  C      10 ALA  HN      3.50  9.00E+00
  7 VAL  O      10 ALA  N       3.30  9.00E+00
  3 CYSS O      12 LYS+ HN      2.20  9.00E+00
  3 CYSS C      12 LYS+ HN      3.50  9.00E+00
  3 CYSS O      12 LYS+ N       3.30  9.00E+00
  1 LEU  O      14 CYSS HN      2.20  9.00E+00
  1 LEU  C      14 CYSS HN      3.50  9.00E+00
  1 LEU  O      14 CYSS N       3.30  9.00E+00
 15 PRO  O      18 LYS+ HN      2.20  9.00E+00
 15 PRO  C      18 LYS+ HN      3.50  9.00E+00
 15 PRO  O      18 LYS+ N       3.30  9.00E+00
 19 ASN  HN     39 ILE  O       2.20  9.00E+00
 19 ASN  HN     39 ILE  C       3.50  9.00E+00
 19 ASN  N      39 ILE  O       3.30  9.00E+00
 20 LEU  HN     39 ILE  O       2.20  9.00E+00
 20 LEU  HN     39 ILE  C       3.50  9.00E+00
 20 LEU  N      39 ILE  O       3.30  9.00E+00
 21 CYSS HN     54 CYSS O       2.20  9.00E+00
 21 CYSS HN     54 CYSS C       3.50  9.00E+00
 21 CYSS N      54 CYSS O       3.30  9.00E+00
 22 TYR  HN     37 GLY  O       2.20  9.00E+00
 22 TYR  HN     37 GLY  C       3.50  9.00E+00
 22 TYR  N      37 GLY  O       3.30  9.00E+00
 23 LYS+ HN     52 VAL  O       2.20  9.00E+00
 23 LYS+ HN     52 VAL  C       3.50  9.00E+00
 23 LYS+ N      52 VAL  O       3.30  9.00E+00
 24 MET  HN     35 LYS+ O       2.20  9.00E+00
 24 MET  HN     35 LYS+ C       3.50  9.00E+00
 24 MET  N      35 LYS+ O       3.30  9.00E+00
 25 PHE  HN     50 LYS+ O       2.20  9.00E+00
 25 PHE  HN     50 LYS+ C       3.50  9.00E+00
 25 PHE  N      50 LYS+ O       3.30  9.00E+00
 27 MET  HN     48 LEU  O       2.20  9.00E+00
 27 MET  HN     48 LEU  C       3.50  9.00E+00
 27 MET  N      48 LEU  O       3.30  9.00E+00
 24 MET  O      34 VAL  HN      2.20  9.00E+00
 24 MET  C      34 VAL  HN      3.50  9.00E+00
 24 MET  O      34 VAL  N       3.30  9.00E+00
 24 MET  O      35 LYS+ HN      2.20  9.00E+00
 24 MET  C      35 LYS+ HN      3.50  9.00E+00
 24 MET  O      35 LYS+ N       3.30  9.00E+00
 22 TYR  O      37 GLY  HN      2.20  9.00E+00
 22 TYR  C      37 GLY  HN      3.50  9.00E+00
 22 TYR  O      37 GLY  N       3.30  9.00E+00
 20 LEU  O      39 ILE  HN      2.20  9.00E+00
 20 LEU  C      39 ILE  HN      3.50  9.00E+00
 20 LEU  O      39 ILE  N       3.30  9.00E+00
 46 SER  HN     49 VAL  O       2.20  9.00E+00
 46 SER  HN     49 VAL  C       3.50  9.00E+00
 46 SER  N      49 VAL  O       3.30  9.00E+00
 25 PHE  O      50 LYS+ HN      2.20  9.00E+00
 25 PHE  C      50 LYS+ HN      3.50  9.00E+00
 25 PHE  O      50 LYS+ N       3.30  9.00E+00
 23 LYS+ O      52 VAL  HN      2.20  9.00E+00
 23 LYS+ C      52 VAL  HN      3.50  9.00E+00
 23 LYS+ O      52 VAL  N       3.30  9.00E+00
 21 CYSS O      54 CYSS HN      2.20  9.00E+00
 21 CYSS C      54 CYSS HN      3.50  9.00E+00
 21 CYSS O      54 CYSS N       3.30  9.00E+00
 54 CYSS O      56 THR  HN      2.20  9.00E+00
 54 CYSS C      56 THR  HN      3.50  9.00E+00
 54 CYSS O      56 THR  N       3.30  9.00E+00
  2 LYS+ O      58 ARG+ HN      2.20  9.00E+00
  2 LYS+ C      58 ARG+ HN      3.50  9.00E+00
  2 LYS+ O      58 ARG+ N       3.30  9.00E+00
 26 MET  N      71 WATQ O       3.40  9.00E+00
 26 MET  HN     71 WATQ O       2.30  9.00E+00
 26 MET  N      71 WATQ H3      2.40  9.00E+00
 26 MET  HN     71 WATQ H3      1.30  9.00E+00
 29 ASP- O      71 WATQ H1      2.10  9.00E+00
 29 ASP- O      71 WATQ O       3.10  9.00E+00
 29 ASP- C      71 WATQ H1      3.30  9.00E+00
 29 ASP- C      71 WATQ O       4.30  9.00E+00
 32 ILE  O      71 WATQ H2      2.10  9.00E+00
 32 ILE  O      71 WATQ O       3.10  9.00E+00
 32 ILE  C      71 WATQ H2      3.30  9.00E+00
 32 ILE  C      71 WATQ O       4.30  9.00E+00
  2 LYS+ HN     57 ASP- OD1     2.20  9.00E+00
  2 LYS+ HN     57 ASP- CG      3.50  9.00E+00
  2 LYS+ N      57 ASP- OD1     3.30  9.00E+00
  4 ASN  HN     60 ASN  OD1     2.20  9.00E+00
  4 ASN  HN     60 ASN  CG      3.30  9.00E+00
  4 ASN  N      60 ASN  OD1     3.50  9.00E+00
  4 ASN  HD21   60 ASN  O       2.20  9.00E+00
  4 ASN  HD21   60 ASN  C       3.30  9.00E+00
  4 ASN  ND2    60 ASN  O       3.50  9.00E+00
 22 TYR  O      60 ASN  HD21    2.20  9.00E+00
 22 TYR  C      60 ASN  HD21    3.50  9.00E+00
 22 TYR  O      60 ASN  ND2     3.30  9.00E+00
 46 SER  HG     49 VAL  HN      2.20  9.00E+00
 46 SER  OG     49 VAL  N       3.50  9.00E+00
 46 SER  HG     49 VAL  N       3.30  9.00E+00
 45 ASN  OD1    51 TYR  HN      2.20  9.00E+00
 45 ASN  OD1    51 TYR  N       3.50  9.00E+00
 45 ASN  CG     51 TYR  HN      3.30  9.00E+00
#dihedral angles
   0 MET   CHI1   -215.0   105.0
   0 MET   CHI2   -325.0   -35.0
   0 MET   PSI    -105.0   225.0
   1 LEU   PHI    -110.0   -50.0
   1 LEU   PSI     180.0   195.0
   2 LYS+  PHI    -140.0   -100.0 # constr/habas.aco  
   2 LYS+  PSI     100.0   150.0  # constr/habas.aco  
   3 CYSS  PHI    -140.0  -100.0  # constr/habas.aco  
   3 CYSS  CHI1    -80.0   -40.0  # constr/habas.aco
   3 CYSS  PSI     130.0   180.0  # constr/habas.aco  
   4 ASN   PHI    -140.0  -100.0  # constr/habas.aco  
   4 ASN   CHI1    -80.0   -40.0  # constr/habas.aco  
   4 ASN   CHI2   -165.0   125.0  # constr/habas.aco  
   4 ASN   PSI     100.0   150.0  # constr/habas.aco  
   5 LYS+  PHI    -100.0   -50.0  # constr/habas.aco  
   5 LYS+  CHI1    -80.0   -40.0   
   5 LYS+  CHI2   -315.0   -15.0  
   5 LYS+  PSI     120.0   180.0  # constr/habas.aco  
   6 LEU   PHI    -120.0   -30.0  # constr/habas.aco  
   6 LEU   CHI1   -200.0  -160.0  # constr/habas.aco  
   6 LEU   PSI     -70.0   -20.0  # constr/manual.aco   
   7 VAL   PHI    -155.0   -60.0  # constr/habas.aco  
   7 VAL   CHI1   -205.0  -155.0  
   7 VAL   PSI      90.0   145.0
   8 PRO   PSI     -20.0    25.0  
   9 ILE   PHI    -145.0   -80.0    
   9 ILE   CHI1     40.0    80.0    
   9 ILE   CHI21  -335.0   -25.0  # constr/habas.aco  
   9 ILE   PSI     -35.0    40.0    
  10 ALA   PHI    -185.0  -125.0  # constr/habas.aco  
  10 ALA   PSI     110.0   150.0  # constr/habas.aco  
  11 TYR   PHI    -140.0   -95.0  # constr/habas.aco  
  11 TYR   CHI1     40.0    80.0  # constr/habas.aco  
  11 TYR   PSI     120.0   180.0  
  12 LYS+  PHI    -135.0   -95.0  # constr/habas.aco  
  12 LYS+  CHI1    -80.0   -40.0  # constr/habas.aco  
  12 LYS+  CHI2     15.0   345.0  # constr/habas.aco  
  12 LYS+  PSI     105.0   185.0  # constr/habas.aco  
  13 THR   PHI    -125.0   -45.0  # constr/habas.aco  
  13 THR   CHI1    -80.0   -40.0  
  13 THR   PSI     120.0   180.0  # constr/habas.aco  
  14 CYSS  PHI     -75.0   -65.0  # constr/habas.aco
  14 CYSS  PSI     120.0   180.0  
  14 CYSS  CHI1    -75.0   -45.0  # constr/habas.aco
  15 PRO   PSI     100.0   160.0  
  16 GLU-  PHI     -75.0   -45.0  # constr/habas.aco  
  16 GLU-  CHI1   -200.0  -160.0   
  16 GLU-  PSI     120.0   160.0   
  17 GLY   PHI      30.0    90.0  
  17 GLY   PSI    -105.0   105.0  # constr/habas.aco  
  18 LYS+  PHI    -125.0   -80.0
  18 LYS+  CHI1    -80.0   -40.0 
  18 LYS+  PSI     145.0   185.0    
  19 ASN   PHI    -150.0  -105.0    
  19 ASN   CHI1    160.0   200.0   
  19 ASN   PSI     -65.0    -0.0  
  20 LEU   PHI    -100.0   -80.0  
  20 LEU   CHI1    -90.0   -30.0     
  20 LEU   CHI2     75.0   245.0  # constr/habas.aco  
  20 LEU   PSI     145.0   175.0    
  21 CYSS  PHI    -135.0  -105.0  # constr/habas.aco  
  21 CYSS  CHI1    -85.0   -35.0  # constr/habas.aco
  21 CYSS  PSI    -225.0   -65.0  # constr/habas.aco  
  22 TYR   PHI    -135.0  -105.0  # constr/habas.aco  
  22 TYR   PSI      55.0   185.0  # constr/habas.aco
  22 TYR   CHI1     40.0    80.0  
  23 LYS+  PHI    -145.0   -95.0  # constr/manual.aco   
  23 LYS+  CHI1     40.0    80.0  # constr/habas.aco  
  23 LYS+  CHI2     15.0   315.0  # constr/habas.aco  
  23 LYS+  PSI     110.0   180.0  # constr/habas.aco  
  24 MET   PHI    -145.0   -95.0  # constr/habas.aco  
  24 MET   CHI1    -85.0   -35.0  # constr/habas.aco  
  24 MET   CHI2   -315.0   -35.0  # constr/habas.aco  
  24 MET   PSI     125.0   185.0  # constr/habas.aco  
  25 PHE   PHI    -145.0   -95.0  # constr/manual.aco 
  25 PHE   CHI1    -75.0   -45.0  # constr/habas.aco  
  25 PHE   PSI     125.0   195.0  # constr/habas.aco  
  26 MET   PHI    -141.0  -100.0  
  26 MET   CHI1    -85.0   -45.0  # constr/habas.aco  
  26 MET   PSI     120.0   160.0    
  27 MET   PHI     -75.0   -25.0    
  27 MET   CHI1    -85.0   -35.0    
  27 MET   PSI     -80.0   -20.0     
  28 SER   PHI     -95.0   -35.0  # constr/habas.aco  
  28 SER   CHI1    160.0   200.0  # constr/habas.aco  
  28 SER   PSI     -95.0   -55.0  
  29 ASP-  PHI     -95.0   -35.0  # constr/habas.aco  
  29 ASP-  CHI1   -200.0  -160.0  
  29 ASP-  PSI      55.0   125.0  # constr/habas.aco  
  30 LEU   PHI     -85.0   -65.0  # constr/habas.aco  
  30 LEU   CHI1    -85.0   -35.0  # constr/habas.aco  
  30 LEU   PSI    -305.0     5.0  # constr/habas.aco  
  31 THR   PHI    -120.0   -55.0  # constr/habas.aco  
  31 THR   CHI1    -85.0   -35.0    
  31 THR   PSI     -85.0    65.0  # constr/habas.aco  
  32 ILE   PHI    -160.0  -110.0  # constr/habas.aco  
  32 ILE   CHI1    -85.0   -45.0  # constr/habas.aco  
  32 ILE   CHI21    25.0   315.0  # constr/habas.aco
  32 ILE   PSI      80.0   130.0  
  33 PRO   PSI     125.0   180.0  # constr/habas.aco  
  34 VAL   PHI    -135.0  -105.0  # constr/habas.aco  
  34 VAL   CHI1    -80.0   -40.0  
  34 VAL   PSI     -85.0    45.0  # constr/habas.aco  
  35 LYS+  PHI    -160.0  -120.0  # constr/habas.aco  
  35 LYS+  CHI1    -85.0   -35.0  # constr/habas.aco  
  35 LYS+  CHI2   -295.0   -25.0  # constr/habas.aco  
  35 LYS+  PSI     105.0   185.0  # constr/habas.aco  
  36 ARG+  PHI    -180.0  -120.0  # constr/habas.aco  
  36 ARG+  CHI1    -85.0   -35.0  # constr/habas.aco  
  36 ARG+  PSI      85.0   195.0  # constr/habas.aco  
  37 GLY   PHI    -185.0  -125.0  # constr/habas.aco  
  37 GLY   PSI    -275.0   -85.0  # constr/habas.aco  
  38 CYSS  PHI    -145.0   -95.0  # constr/habas.aco  
  38 CYSS  CHI1    -85.0   -45.0  # constr/habas.aco
  38 CYSS  PSI     120.0   175.0    
  39 ILE   PHI    -165.0  -125.0  
  39 ILE   CHI1   -195.0  -165.0  # constr/habas.aco  
  39 ILE   PSI     120.0   180.0    
  40 ASP-  PHI    -100.0   -80.0  # constr/manual.aco 
  40 ASP-  PSI     -85.0     0.0  # constr/habas.aco
  40 ASP-  CHI1     40.0    80.0  
  41 VAL   PHI    -125.0  -105.0  # constr/habas.aco  
  41 VAL   CHI1    165.0   215.0  # constr/habas.aco  
  41 VAL   PSI     101.0   152.0  
  42 CYSS  PHI     -75.0   -65.0  # constr/habas.aco  
  42 CYSS  CHI1   -205.0  -155.0  # constr/habas.aco
  42 CYSS  PSI      90.0   140.0  
  43 PRO   PSI     100.0   140.0  
  44 LYS+  PHI     -85.0   -55.0  # constr/habas.aco  
  44 LYS+  CHI1    -85.0   -45.0  
  44 LYS+  CHI2     15.0   335.0  # constr/habas.aco  
  44 LYS+  PSI     105.0   195.0  # constr/habas.aco  
  45 ASN   PHI    -105.0   -60.0  
  45 ASN   CHI1    -85.0   -35.0   
  45 ASN   CHI2   -155.0    75.0  # constr/habas.aco  
  45 ASN   PSI      75.0   165.0    
  46 SER   PHI    -162.0   -95.0    
  46 SER   CHI1     40.0    80.0    
  46 SER   PSI     130.0   180.0   
  47 LEU   PHI     -95.0   -55.0    
  47 LEU   CHI1    -80.0   -40.0   
  47 LEU   CHI2     85.0   235.0  # constr/habas.aco  
  47 LEU   PSI     -60.0    -5.0   
  48 LEU   PHI     -95.0   -35.0   
  48 LEU   CHI1    -80.0   -40.0  
  48 LEU   PSI     -60.0   -20.0  
  49 VAL   PHI    -130.0  -105.0  # constr/manual.aco  
  49 VAL   CHI1    -80.0   -40.0    
  49 VAL   PSI     120.0   160.0    
  50 LYS+  PHI    -155.0   -25.0  # constr/habas.aco  
  50 LYS+  CHI1   -195.0  -165.0  # constr/habas.aco  
  50 LYS+  CHI2     15.0   345.0  # constr/habas.aco  
  50 LYS+  PSI     120.0   175.0    
  51 TYR   PHI    -140.0  -100.0  
  51 TYR   CHI1    -85.0   -35.0  # constr/habas.aco  
  51 TYR   PSI     100.0   140.0   
  52 VAL   PHI    -140.0  -100.0  
  52 VAL   CHI1   -200.0  -160.0  # constr/habas.aco  
  52 VAL   PSI     120.0   160.0   
  53 CYSS  PHI    -145.0   -95.0  # constr/habas.aco  
  53 CYSS  CHI1    -85.0   -35.0  # constr/habas.aco
  53 CYSS  PSI     125.0   185.0  # constr/habas.aco  
  54 CYSS  PHI    -185.0  -125.0  # constr/habas.aco  
  54 CYSS  CHI1     40.0    80.0  # constr/habas.aco
  54 CYSS  PSI     105.0   185.0  # constr/habas.aco
  55 ASN   PHI    -160.0   -80.0
  55 ASN   PSI     -70.0    60.0
  55 ASN   CHI1     40.0    80.0  
  56 THR   PHI    -165.0  -110.0  
  56 THR   CHI1     15.0    95.0  # constr/habas.aco  
  56 THR   PSI     155.0   185.0  # constr/habas.aco  
  57 ASP-  PHI    -115.0   -70.0    
  57 ASP-  CHI1    -85.0   -45.0   
  57 ASP-  PSI     125.0   165.0   
  58 ARG+  PHI      30.0    70.0 
  58 ARG+  CHI1    -75.0   -45.0  # constr/habas.aco  
  58 ARG+  CHI2   -335.0   -15.0  # constr/habas.aco  
  58 ARG+  PSI      20.0    80.0  # constr/habas.aco  
  59 CYSS  PHI     -85.0   -30.0  # constr/habas.aco  
  59 CYSS  CHI1     40.0    80.0  
  59 CYSS  PSI     -60.0   -20.0  
  60 ASN   PHI    -160.0   -80.0  # constr/manual.aco   
  60 ASN   CHI1     40.0    80.0  # constr/habas.aco  
  60 ASN   CHI2   -105.0   125.0  # constr/habas.aco  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   0          1H        MET   0  -9.469  11.014   2.328
    2    H2   MET   0          2H        MET   0 -10.865  11.522   2.123
    3    H    MET   0           H        MET   0 -10.565  10.019   1.934
    4    H3   MET   0          3H        MET   0 -10.578  10.053   2.017
    5    HA   MET   0           HA       MET   0 -10.590  11.888  -0.083
    6    HB2  MET   0          1HB       MET   0  -7.885  10.672   0.509
    7    HB3  MET   0          2HB       MET   0  -8.308  11.410  -1.053
    8    HG2  MET   0          1HG       MET   0  -8.376  12.854   1.612
    9    HG3  MET   0          2HG       MET   0  -7.008  12.909   0.474
   10    HE1  MET   0          1HE       MET   0  -8.414  14.852  -2.565
   11    HE2  MET   0          2HE       MET   0  -6.963  14.224  -1.746
   12    HE3  MET   0          3HE       MET   0  -8.202  13.098  -2.354
   13    H    LEU   1           H        LEU   1  -8.329   9.197  -0.523
   14    HA   LEU   1           HA       LEU   1 -10.368   7.824  -2.076
   15    HB2  LEU   1          1HB       LEU   1  -7.466   7.815  -1.737
   16    HB3  LEU   1          2HB       LEU   1  -8.123   6.349  -2.501
   17    HG   LEU   1           HG       LEU   1  -7.221   8.367  -3.967
   18   HD11  LEU   1          1HD1      LEU   1  -8.882   7.758  -5.747
   19   HD12  LEU   1          2HD1      LEU   1  -8.318   6.317  -4.867
   20   HD13  LEU   1          3HD1      LEU   1  -9.915   7.012  -4.505
   21   HD21  LEU   1          1HD2      LEU   1  -9.012   9.957  -4.576
   22   HD22  LEU   1          2HD2      LEU   1 -10.043   9.255  -3.306
   23   HD23  LEU   1          3HD2      LEU   1  -8.532  10.085  -2.867
   24    H    LYS   2           H        LYS   2  -9.882   5.213  -1.932
   25    HA   LYS   2           HA       LYS   2  -9.600   4.548   0.909
   26    HB2  LYS   2          1HB       LYS   2 -11.284   2.766   0.553
   27    HB3  LYS   2          2HB       LYS   2 -11.948   4.411   0.411
   28    HG2  LYS   2          1HG       LYS   2 -11.949   4.236  -2.022
   29    HG3  LYS   2          2HG       LYS   2 -11.196   2.627  -1.927
   30    HD2  LYS   2          1HD       LYS   2 -13.168   1.773  -0.724
   31    HD3  LYS   2          2HD       LYS   2 -13.922   3.382  -0.821
   32    HE2  LYS   2          1HE       LYS   2 -13.834   3.243  -3.294
   33    HE3  LYS   2          2HE       LYS   2 -13.164   1.600  -3.157
   34    HZ1  LYS   2          1HZ       LYS   2 -15.537   1.565  -3.527
   35    HZ2  LYS   2          2HZ       LYS   2 -15.187   0.939  -2.041
   36    H    CYS   3           H        CYS   3  -8.156   2.927   1.319
   37    HA   CYS   3           HA       CYS   3  -7.387   1.290  -0.986
   38    HB2  CYS   3          1HB       CYS   3  -5.767   2.461   1.399
   39    HB3  CYS   3          2HB       CYS   3  -5.046   1.501   0.084
   40    H    ASN   4           H        ASN   4  -6.050  -0.751   0.083
   41    HA   ASN   4           HA       ASN   4  -8.159  -1.862   1.712
   42    HB2  ASN   4          1HB       ASN   4  -6.083  -3.391  -0.015
   43    HB3  ASN   4          2HB       ASN   4  -7.225  -3.860   1.268
   44   HD21  ASN   4          1HD2      ASN   4  -8.531  -3.858  -2.386
   45   HD22  ASN   4          2HD2      ASN   4  -6.919  -4.144  -1.817
   46    H    LYS   5           H        LYS   5  -7.728  -2.746   3.812
   47    HA   LYS   5           HA       LYS   5  -5.220  -2.285   5.042
   48    HB2  LYS   5          1HB       LYS   5  -7.556  -4.080   5.750
   49    HB3  LYS   5          2HB       LYS   5  -6.161  -3.773   6.812
   50    HG2  LYS   5          1HG       LYS   5  -6.742  -1.380   6.885
   51    HG3  LYS   5          2HG       LYS   5  -8.139  -1.690   5.827
   52    HD2  LYS   5          1HD       LYS   5  -9.110  -3.174   7.523
   53    HD3  LYS   5          2HD       LYS   5  -7.703  -2.902   8.577
   54    HE2  LYS   5          1HE       LYS   5  -8.240  -0.508   8.685
   55    HE3  LYS   5          2HE       LYS   5  -9.644  -0.774   7.625
   56    HZ1  LYS   5          1HZ       LYS   5 -10.279  -0.693   9.940
   57    HZ2  LYS   5          2HZ       LYS   5 -10.575  -2.195   9.324
   58    H    LEU   6           H        LEU   6  -4.109  -4.323   6.192
   59    HA   LEU   6           HA       LEU   6  -3.114  -6.120   4.355
   60    HB2  LEU   6          1HB       LEU   6  -2.159  -5.650   6.556
   61    HB3  LEU   6          2HB       LEU   6  -3.515  -6.443   7.332
   62    HG   LEU   6           HG       LEU   6  -2.865  -8.588   6.320
   63   HD11  LEU   6          1HD1      LEU   6  -0.610  -6.976   5.104
   64   HD12  LEU   6          2HD1      LEU   6  -0.609  -8.752   5.223
   65   HD13  LEU   6          3HD1      LEU   6  -1.861  -7.926   4.264
   66   HD21  LEU   6          1HD2      LEU   6  -0.303  -7.732   7.533
   67   HD22  LEU   6          2HD2      LEU   6  -1.770  -7.401   8.486
   68   HD23  LEU   6          3HD2      LEU   6  -1.400  -9.064   7.967
   69    H    VAL   7           H        VAL   7  -6.091  -6.265   6.381
   70    HA   VAL   7           HA       VAL   7  -6.902  -8.714   5.104
   71    HB   VAL   7           HB       VAL   7  -8.420  -6.703   6.832
   72   HG11  VAL   7          1HG1      VAL   7 -10.121  -8.486   7.040
   73   HG12  VAL   7          2HG1      VAL   7  -9.933  -7.974   5.347
   74   HG13  VAL   7          3HG1      VAL   7  -9.201  -9.498   5.903
   75   HG21  VAL   7          1HG2      VAL   7  -8.208  -8.383   8.594
   76   HG22  VAL   7          2HG2      VAL   7  -7.217  -9.391   7.512
   77   HG23  VAL   7          3HG2      VAL   7  -6.623  -7.797   8.034
   78    HA   PRO   8           HA       PRO   8  -7.945  -6.521   1.605
   79    HB2  PRO   8          1HB       PRO   8  -8.635  -8.580  -0.060
   80    HB3  PRO   8          2HB       PRO   8  -6.950  -8.311   0.408
   81    HG2  PRO   8          1HG       PRO   8  -8.994 -10.189   1.638
   82    HG3  PRO   8          2HG       PRO   8  -7.305 -10.505   1.223
   83    HD2  PRO   8          1HD       PRO   8  -8.029  -9.939   3.792
   84    HD3  PRO   8          2HD       PRO   8  -6.480  -9.378   3.150
   85    H    ILE   9           H        ILE   9 -10.219  -7.875   3.551
   86    HA   ILE   9           HA       ILE   9 -12.366  -6.989   1.760
   87    HB   ILE   9           HB       ILE   9 -13.856  -8.357   3.246
   88   HG12  ILE   9          1HG1      ILE   9 -11.324  -9.356   4.515
   89   HG13  ILE   9          2HG1      ILE   9 -12.359  -8.092   5.221
   90   HG21  ILE   9          1HG2      ILE   9 -13.060 -10.579   2.509
   91   HG22  ILE   9          2HG2      ILE   9 -12.897  -9.377   1.209
   92   HG23  ILE   9          3HG2      ILE   9 -11.466  -9.884   2.136
   93   HD11  ILE   9          1HD1      ILE   9 -12.847 -10.296   6.209
   94   HD12  ILE   9          2HD1      ILE   9 -14.245  -9.677   5.296
   95   HD13  ILE   9          3HD1      ILE   9 -13.209 -10.941   4.591
   96    H    ALA  10           H        ALA  10 -10.447  -5.461   3.686
   97    HA   ALA  10           HA       ALA  10 -12.633  -3.800   4.641
   98    HB1  ALA  10          1HB       ALA  10 -11.742  -5.427   6.482
   99    HB2  ALA  10          2HB       ALA  10 -10.308  -4.372   6.488
  100    HB3  ALA  10          3HB       ALA  10 -11.912  -3.699   6.872
  101    H    TYR  11           H        TYR  11 -12.176  -1.611   4.420
  102    HA   TYR  11           HA       TYR  11  -9.531  -1.059   3.258
  103    HB2  TYR  11          1HB       TYR  11 -10.628   0.669   1.955
  104    HB3  TYR  11          2HB       TYR  11 -11.296  -0.949   1.628
  105    HD1  TYR  11          1HD       TYR  11 -11.982   2.374   3.040
  106    HD2  TYR  11          2HD       TYR  11 -13.572  -1.518   2.333
  107    HE1  TYR  11          1HE       TYR  11 -14.257   3.224   3.530
  108    HE2  TYR  11          2HE       TYR  11 -15.849  -0.688   2.817
  109    HH   TYR  11           HH       TYR  11 -17.125   1.108   3.398
  110    H    LYS  12           H        LYS  12  -8.664   1.138   3.615
  111    HA   LYS  12           HA       LYS  12  -9.921   2.474   5.911
  112    HB2  LYS  12          1HB       LYS  12  -7.034   2.479   4.982
  113    HB3  LYS  12          2HB       LYS  12  -7.686   3.444   6.328
  114    HG2  LYS  12          1HG       LYS  12  -8.136   1.467   7.623
  115    HG3  LYS  12          2HG       LYS  12  -7.743   0.413   6.245
  116    HD2  LYS  12          1HD       LYS  12  -5.829   0.347   7.632
  117    HD3  LYS  12          2HD       LYS  12  -5.410   1.455   6.305
  118    HE2  LYS  12          1HE       LYS  12  -5.840   3.380   7.690
  119    HE3  LYS  12          2HE       LYS  12  -6.477   2.354   8.996
  120    HZ1  LYS  12          1HZ       LYS  12  -4.217   3.042   9.427
  121    HZ2  LYS  12          2HZ       LYS  12  -4.282   1.404   9.232
  122    H    THR  13           H        THR  13 -10.311   4.711   5.756
  123    HA   THR  13           HA       THR  13 -10.167   5.851   3.107
  124    HB   THR  13           HB       THR  13 -10.934   7.076   5.802
  125    HG1  THR  13          1HG       THR  13 -13.084   6.739   4.978
  126   HG21  THR  13          1HG2      THR  13 -12.021   8.817   4.429
  127   HG22  THR  13          2HG2      THR  13 -10.271   8.752   4.112
  128   HG23  THR  13          3HG2      THR  13 -11.412   8.033   2.952
  129    H    CYS  14           H        CYS  14  -8.673   7.213   2.282
  130    HA   CYS  14           HA       CYS  14  -6.190   7.223   3.622
  131    HB2  CYS  14          1HB       CYS  14  -7.478   8.586   1.143
  132    HB3  CYS  14          2HB       CYS  14  -5.722   8.637   1.436
  133    HA   PRO  15           HA       PRO  15  -6.533  11.124   5.613
  134    HB2  PRO  15          1HB       PRO  15  -3.959  11.931   5.862
  135    HB3  PRO  15          2HB       PRO  15  -4.552  10.567   6.818
  136    HG2  PRO  15          1HG       PRO  15  -3.054  10.532   4.174
  137    HG3  PRO  15          2HG       PRO  15  -2.765   9.564   5.626
  138    HD2  PRO  15          1HD       PRO  15  -4.180   8.569   3.491
  139    HD3  PRO  15          2HD       PRO  15  -4.544   8.073   5.149
  140    H    GLU  16           H        GLU  16  -6.456  13.436   5.373
  141    HA   GLU  16           HA       GLU  16  -7.013  14.133   2.783
  142    HB2  GLU  16          1HB       GLU  16  -7.715  15.386   4.761
  143    HB3  GLU  16          2HB       GLU  16  -6.024  15.836   5.091
  144    HG2  GLU  16          1HG       GLU  16  -6.009  17.190   2.938
  145    HG3  GLU  16          2HG       GLU  16  -7.672  16.601   2.717
  146    HE2  GLU  16           HE       GLU  16  -7.812  19.829   4.389
  147    H    GLY  17           H        GLY  17  -5.802  14.762   1.017
  148    HA2  GLY  17          1HA       GLY  17  -4.006  15.874   0.022
  149    HA3  GLY  17          2HA       GLY  17  -3.039  15.640   1.466
  150    H    LYS  18           H        LYS  18  -4.168  12.703   1.532
  151    HA   LYS  18           HA       LYS  18  -2.195  11.653  -0.338
  152    HB2  LYS  18          1HB       LYS  18  -3.775  10.476   1.961
  153    HB3  LYS  18          2HB       LYS  18  -2.771   9.493   0.868
  154    HG2  LYS  18          1HG       LYS  18  -1.621  10.037   3.001
  155    HG3  LYS  18          2HG       LYS  18  -0.770  10.669   1.571
  156    HD2  LYS  18          1HD       LYS  18  -1.498  12.887   1.985
  157    HD3  LYS  18          2HD       LYS  18  -2.728  12.348   3.154
  158    HE2  LYS  18          1HE       LYS  18  -0.778  13.368   4.267
  159    HE3  LYS  18          2HE       LYS  18  -0.998  11.663   4.717
  160    HZ1  LYS  18          1HZ       LYS  18   1.302  12.172   4.254
  161    HZ2  LYS  18          2HZ       LYS  18   0.729  11.094   3.145
  162    H    ASN  19           H        ASN  19  -2.748   9.910  -1.827
  163    HA   ASN  19           HA       ASN  19  -5.560  10.031  -2.553
  164    HB2  ASN  19          1HB       ASN  19  -4.217  11.796  -4.009
  165    HB3  ASN  19          2HB       ASN  19  -3.320  10.286  -4.301
  166   HD21  ASN  19          1HD2      ASN  19  -6.691  11.188  -6.355
  167   HD22  ASN  19          2HD2      ASN  19  -6.073  12.193  -5.086
  168    H    LEU  20           H        LEU  20  -2.259   8.585  -3.024
  169    HA   LEU  20           HA       LEU  20  -3.387   6.557  -4.744
  170    HB2  LEU  20          1HB       LEU  20  -0.657   6.999  -3.709
  171    HB3  LEU  20          2HB       LEU  20  -0.969   5.968  -5.125
  172    HG   LEU  20           HG       LEU  20  -1.285   8.990  -4.946
  173   HD11  LEU  20          1HD1      LEU  20   0.510   8.995  -6.699
  174   HD12  LEU  20          2HD1      LEU  20   1.067   8.203  -5.206
  175   HD13  LEU  20          3HD1      LEU  20   0.582   7.219  -6.608
  176   HD21  LEU  20          1HD2      LEU  20  -1.900   8.892  -7.337
  177   HD22  LEU  20          2HD2      LEU  20  -1.878   7.114  -7.252
  178   HD23  LEU  20          3HD2      LEU  20  -3.060   8.036  -6.294
  179    H    CYS  21           H        CYS  21  -2.953   4.234  -4.408
  180    HA   CYS  21           HA       CYS  21  -2.919   3.633  -1.545
  181    HB2  CYS  21          1HB       CYS  21  -4.025   2.037  -3.862
  182    HB3  CYS  21          2HB       CYS  21  -3.978   1.485  -2.200
  183    H    TYR  22           H        TYR  22  -1.207   2.421  -0.741
  184    HA   TYR  22           HA       TYR  22   0.662   1.351  -2.750
  185    HB2  TYR  22          1HB       TYR  22   2.469   2.094  -1.500
  186    HB3  TYR  22          2HB       TYR  22   1.335   3.465  -1.543
  187    HD1  TYR  22          1HD       TYR  22   2.798   0.824   0.592
  188    HD2  TYR  22          2HD       TYR  22   0.271   4.258   0.477
  189    HE1  TYR  22          1HE       TYR  22   2.836   0.926   3.067
  190    HE2  TYR  22          2HE       TYR  22   0.298   4.373   2.946
  191    HH   TYR  22           HH       TYR  22   1.072   3.443   4.876
  192    H    LYS  23           H        LYS  23   1.789  -0.598  -2.199
  193    HA   LYS  23           HA       LYS  23   0.988  -1.805   0.346
  194    HB2  LYS  23          1HB       LYS  23   0.925  -3.993  -0.766
  195    HB3  LYS  23          2HB       LYS  23  -0.317  -2.882  -1.391
  196    HG2  LYS  23          1HG       LYS  23   0.987  -2.471  -3.395
  197    HG3  LYS  23          2HG       LYS  23   2.338  -3.438  -2.756
  198    HD2  LYS  23          1HD       LYS  23   0.911  -4.637  -4.442
  199    HD3  LYS  23          2HD       LYS  23   1.045  -5.459  -2.868
  200    HE2  LYS  23          1HE       LYS  23  -1.127  -4.589  -2.193
  201    HE3  LYS  23          2HE       LYS  23  -1.257  -3.671  -3.711
  202    HZ1  LYS  23          1HZ       LYS  23  -2.501  -5.723  -3.803
  203    HZ2  LYS  23          2HZ       LYS  23  -1.268  -5.760  -4.897
  204    H    MET  24           H        MET  24   2.600  -3.191   1.298
  205    HA   MET  24           HA       MET  24   5.233  -2.558   0.210
  206    HB2  MET  24          1HB       MET  24   4.303  -3.050   3.047
  207    HB3  MET  24          2HB       MET  24   6.005  -2.835   2.570
  208    HG2  MET  24          1HG       MET  24   5.525  -0.570   1.798
  209    HG3  MET  24          2HG       MET  24   3.804  -0.779   2.203
  210    HE1  MET  24          1HE       MET  24   7.178  -0.723   5.384
  211    HE2  MET  24          2HE       MET  24   6.880  -2.096   4.289
  212    HE3  MET  24          3HE       MET  24   7.473  -0.548   3.637
  213    H    PHE  25           H        PHE  25   6.705  -4.225  -0.164
  214    HA   PHE  25           HA       PHE  25   5.885  -6.877   0.793
  215    HB2  PHE  25          1HB       PHE  25   7.618  -5.934  -1.568
  216    HB3  PHE  25          2HB       PHE  25   7.376  -7.622  -1.164
  217    HD1  PHE  25          1HD       PHE  25   5.350  -8.745  -1.731
  218    HD2  PHE  25          2HD       PHE  25   5.744  -4.591  -2.456
  219    HE1  PHE  25          1HE       PHE  25   3.286  -8.803  -3.177
  220    HE2  PHE  25          2HE       PHE  25   3.688  -4.641  -3.895
  221    HZ   PHE  25           HZ       PHE  25   2.484  -6.746  -4.238
  222    H    MET  26           H        MET  26   7.744  -8.372   1.357
  223    HA   MET  26           HA       MET  26  10.185  -6.860   1.889
  224    HB2  MET  26          1HB       MET  26   9.115  -9.413   3.115
  225    HB3  MET  26          2HB       MET  26  10.734  -8.746   3.440
  226    HG2  MET  26          1HG       MET  26   9.720  -6.730   4.391
  227    HG3  MET  26          2HG       MET  26   8.097  -7.375   4.048
  228    HE1  MET  26          1HE       MET  26   8.325  -7.578   7.982
  229    HE2  MET  26          2HE       MET  26   9.021  -6.318   6.935
  230    HE3  MET  26          3HE       MET  26   7.398  -6.962   6.594
  231    H    MET  27           H        MET  27  12.221  -7.783   1.211
  232    HA   MET  27           HA       MET  27  12.126  -8.640  -1.340
  233    HB2  MET  27          1HB       MET  27  14.210  -8.882   0.820
  234    HB3  MET  27          2HB       MET  27  14.530  -9.459  -0.833
  235    HG2  MET  27          1HG       MET  27  13.816  -6.624  -0.018
  236    HG3  MET  27          2HG       MET  27  15.429  -7.206  -0.492
  237    HE1  MET  27          1HE       MET  27  15.029  -7.962  -4.285
  238    HE2  MET  27          2HE       MET  27  16.159  -7.780  -2.921
  239    HE3  MET  27          3HE       MET  27  14.955  -9.094  -2.913
  240    H    SER  28           H        SER  28  12.105 -10.616   1.644
  241    HA   SER  28           HA       SER  28  12.379 -13.083   0.424
  242    HB2  SER  28          1HB       SER  28  12.474 -12.761   2.829
  243    HB3  SER  28          2HB       SER  28  10.779 -12.225   2.855
  244    HG   SER  28           HG       SER  28  11.031 -14.418   3.468
  245    H    ASP  29           H        ASP  29   9.253 -11.720   1.702
  246    HA   ASP  29           HA       ASP  29   7.883 -13.471  -0.090
  247    HB2  ASP  29          1HB       ASP  29   7.169 -13.116   2.353
  248    HB3  ASP  29          2HB       ASP  29   6.856 -11.453   1.797
  249    HD2  ASP  29           HD       ASP  29   3.729 -13.324   1.581
  250    H    LEU  30           H        LEU  30   8.557 -12.342  -2.136
  251    HA   LEU  30           HA       LEU  30   7.569  -9.689  -2.582
  252    HB2  LEU  30          1HB       LEU  30   8.931 -11.834  -3.959
  253    HB3  LEU  30          2HB       LEU  30   8.094 -10.754  -5.098
  254    HG   LEU  30           HG       LEU  30   9.609  -9.088  -4.833
  255   HD11  LEU  30          1HD1      LEU  30  10.672  -8.506  -2.637
  256   HD12  LEU  30          2HD1      LEU  30   8.906  -8.656  -2.480
  257   HD13  LEU  30          3HD1      LEU  30   9.966  -9.974  -1.923
  258   HD21  LEU  30          1HD2      LEU  30  11.893  -9.879  -4.324
  259   HD22  LEU  30          2HD2      LEU  30  11.205 -11.376  -3.648
  260   HD23  LEU  30          3HD2      LEU  30  10.996 -11.001  -5.375
  261    H    THR  31           H        THR  31   6.208 -12.847  -2.443
  262    HA   THR  31           HA       THR  31   4.435 -12.577  -4.669
  263    HB   THR  31           HB       THR  31   4.395 -14.475  -2.273
  264    HG1  THR  31          1HG       THR  31   5.369 -15.917  -3.817
  265   HG21  THR  31          1HG2      THR  31   2.974 -15.894  -3.711
  266   HG22  THR  31          2HG2      THR  31   2.210 -14.314  -3.415
  267   HG23  THR  31          3HG2      THR  31   3.001 -14.640  -4.974
  268    H    ILE  32           H        ILE  32   4.171 -12.129  -1.106
  269    HA   ILE  32           HA       ILE  32   1.524 -10.969  -1.617
  270    HB   ILE  32           HB       ILE  32   2.392 -12.836   0.639
  271   HG12  ILE  32          1HG1      ILE  32   1.735 -13.923  -1.411
  272   HG13  ILE  32          2HG1      ILE  32   0.600 -14.235  -0.077
  273   HG21  ILE  32          1HG2      ILE  32   0.147 -12.455   1.600
  274   HG22  ILE  32          2HG2      ILE  32   1.087 -10.946   1.553
  275   HG23  ILE  32          3HG2      ILE  32  -0.185 -11.239   0.344
  276   HD11  ILE  32          1HD1      ILE  32  -0.599 -13.864  -2.198
  277   HD12  ILE  32          2HD1      ILE  32  -0.963 -12.580  -1.020
  278   HD13  ILE  32          3HD1      ILE  32   0.172 -12.269  -2.354
  279    HA   PRO  33           HA       PRO  33   3.422  -7.644   0.466
  280    HB2  PRO  33          1HB       PRO  33   1.387  -5.845   0.381
  281    HB3  PRO  33          2HB       PRO  33   2.325  -6.200  -1.076
  282    HG2  PRO  33          1HG       PRO  33  -0.331  -7.372  -0.184
  283    HG3  PRO  33          2HG       PRO  33   0.145  -6.792  -1.786
  284    HD2  PRO  33          1HD       PRO  33   0.180  -9.466  -1.156
  285    HD3  PRO  33          2HD       PRO  33   1.341  -8.773  -2.294
  286    H    VAL  34           H        VAL  34   3.172  -6.273   2.457
  287    HA   VAL  34           HA       VAL  34   2.032  -8.206   4.355
  288    HB   VAL  34           HB       VAL  34   3.951  -7.655   5.833
  289   HG11  VAL  34          1HG1      VAL  34   5.736  -8.751   4.519
  290   HG12  VAL  34          2HG1      VAL  34   4.171  -9.558   4.270
  291   HG13  VAL  34          3HG1      VAL  34   4.816  -8.460   3.025
  292   HG21  VAL  34          1HG2      VAL  34   5.831  -6.334   5.004
  293   HG22  VAL  34          2HG2      VAL  34   4.913  -5.957   3.526
  294   HG23  VAL  34          3HG2      VAL  34   4.336  -5.376   5.107
  295    H    LYS  35           H        LYS  35   2.314  -4.890   3.271
  296    HA   LYS  35           HA       LYS  35   0.395  -4.147   5.306
  297    HB2  LYS  35          1HB       LYS  35   3.094  -2.833   4.916
  298    HB3  LYS  35          2HB       LYS  35   1.714  -1.998   5.668
  299    HG2  LYS  35          1HG       LYS  35   1.650  -3.938   7.336
  300    HG3  LYS  35          2HG       LYS  35   3.242  -4.402   6.693
  301    HD2  LYS  35          1HD       LYS  35   3.758  -3.071   8.558
  302    HD3  LYS  35          2HD       LYS  35   3.934  -1.966   7.173
  303    HE2  LYS  35          1HE       LYS  35   1.779  -0.987   7.590
  304    HE3  LYS  35          2HE       LYS  35   1.410  -2.205   8.831
  305    HZ1  LYS  35          1HZ       LYS  35   2.093  -0.120   9.807
  306    HZ2  LYS  35          2HZ       LYS  35   3.194  -1.298  10.161
  307    H    ARG  36           H        ARG  36  -0.952  -2.408   4.647
  308    HA   ARG  36           HA       ARG  36  -0.333  -1.269   2.075
  309    HB2  ARG  36          1HB       ARG  36  -2.835  -2.826   2.582
  310    HB3  ARG  36          2HB       ARG  36  -2.589  -1.714   1.215
  311    HG2  ARG  36          1HG       ARG  36  -1.927  -3.575   0.124
  312    HG3  ARG  36          2HG       ARG  36  -0.391  -3.294   0.979
  313    HD2  ARG  36          1HD       ARG  36  -0.988  -5.581   1.140
  314    HD3  ARG  36          2HD       ARG  36  -1.140  -4.817   2.740
  315    HE   ARG  36           HE       ARG  36  -3.587  -5.250   2.590
  316   HH11  ARG  36          1HH       ARG  36  -3.332  -7.001  -0.931
  317   HH21  ARG  36          1HH2      ARG  36  -5.217  -6.273   2.020
  318   HH22  ARG  36          2HH2      ARG  36  -5.243  -7.108   0.479
  319    H    GLY  37           H        GLY  37  -1.405   0.790   1.729
  320    HA2  GLY  37          1HA       GLY  37  -3.342   1.806   3.562
  321    HA3  GLY  37          2HA       GLY  37  -1.728   2.352   3.973
  322    H    CYS  38           H        CYS  38  -2.743   4.528   3.431
  323    HA   CYS  38           HA       CYS  38  -2.822   4.941   0.538
  324    HB2  CYS  38          1HB       CYS  38  -3.812   6.840   2.662
  325    HB3  CYS  38          2HB       CYS  38  -4.107   6.910   0.937
  326    H    ILE  39           H        ILE  39  -1.601   6.803  -0.328
  327    HA   ILE  39           HA       ILE  39  -0.158   8.448   1.502
  328    HB   ILE  39           HB       ILE  39   1.376   6.423   1.224
  329   HG12  ILE  39          1HG1      ILE  39   2.595   8.853  -0.016
  330   HG13  ILE  39          2HG1      ILE  39   2.021   8.856   1.668
  331   HG21  ILE  39          1HG2      ILE  39   2.549   6.202  -0.940
  332   HG22  ILE  39          2HG2      ILE  39   0.804   5.917  -1.127
  333   HG23  ILE  39          3HG2      ILE  39   1.510   7.469  -1.633
  334   HD11  ILE  39          1HD1      ILE  39   4.434   8.372   1.552
  335   HD12  ILE  39          2HD1      ILE  39   3.529   6.977   2.185
  336   HD13  ILE  39          3HD1      ILE  39   4.103   6.975   0.501
  337    H    ASP  40           H        ASP  40   1.002  10.230   0.284
  338    HA   ASP  40           HA       ASP  40  -0.699  10.930  -1.914
  339    HB2  ASP  40          1HB       ASP  40   0.402  13.224  -1.642
  340    HB3  ASP  40          2HB       ASP  40  -0.438  12.448  -0.276
  341    HD2  ASP  40           HD       ASP  40   2.922  13.721   0.714
  342    H    VAL  41           H        VAL  41   2.830  10.557  -1.123
  343    HA   VAL  41           HA       VAL  41   3.366  10.471  -4.012
  344    HB   VAL  41           HB       VAL  41   5.208  11.274  -1.712
  345   HG11  VAL  41          1HG1      VAL  41   6.820  11.840  -3.500
  346   HG12  VAL  41          2HG1      VAL  41   6.410  10.109  -3.532
  347   HG13  VAL  41          3HG1      VAL  41   5.684  11.217  -4.721
  348   HG21  VAL  41          1HG2      VAL  41   5.169  13.500  -2.722
  349   HG22  VAL  41          2HG2      VAL  41   3.974  12.936  -3.914
  350   HG23  VAL  41          3HG2      VAL  41   3.553  12.981  -2.185
  351    H    CYS  42           H        CYS  42   4.255   8.619  -4.840
  352    HA   CYS  42           HA       CYS  42   4.076   6.356  -3.172
  353    HB2  CYS  42          1HB       CYS  42   3.498   6.374  -5.569
  354    HB3  CYS  42          2HB       CYS  42   5.188   6.604  -5.976
  355    HA   PRO  43           HA       PRO  43   8.190   6.660  -1.691
  356    HB2  PRO  43          1HB       PRO  43   8.264   4.392  -0.156
  357    HB3  PRO  43          2HB       PRO  43   7.431   5.848   0.405
  358    HG2  PRO  43          1HG       PRO  43   6.285   3.415  -0.999
  359    HG3  PRO  43          2HG       PRO  43   5.644   4.303   0.390
  360    HD2  PRO  43          1HD       PRO  43   4.666   4.724  -2.130
  361    HD3  PRO  43          2HD       PRO  43   4.762   6.046  -0.960
  362    H    LYS  44           H        LYS  44  10.218   6.155  -2.368
  363    HA   LYS  44           HA       LYS  44  10.285   4.432  -4.620
  364    HB2  LYS  44          1HB       LYS  44  12.446   5.738  -2.943
  365    HB3  LYS  44          2HB       LYS  44  12.755   4.837  -4.446
  366    HG2  LYS  44          1HG       LYS  44  11.392   6.458  -5.701
  367    HG3  LYS  44          2HG       LYS  44  11.080   7.359  -4.199
  368    HD2  LYS  44          1HD       LYS  44  13.474   7.817  -3.953
  369    HD3  LYS  44          2HD       LYS  44  13.817   6.875  -5.424
  370    HE2  LYS  44          1HE       LYS  44  12.471   8.447  -6.748
  371    HE3  LYS  44          2HE       LYS  44  12.123   9.388  -5.279
  372    HZ1  LYS  44          1HZ       LYS  44  13.918  10.352  -6.550
  373    HZ2  LYS  44          2HZ       LYS  44  14.476   9.833  -5.087
  374    H    ASN  45           H        ASN  45  11.740   2.520  -4.836
  375    HA   ASN  45           HA       ASN  45  10.960   0.733  -2.816
  376    HB2  ASN  45          1HB       ASN  45  12.725   0.090  -5.291
  377    HB3  ASN  45          2HB       ASN  45  12.082  -0.828  -3.908
  378   HD21  ASN  45          1HD2      ASN  45   9.879  -0.790  -7.044
  379   HD22  ASN  45          2HD2      ASN  45  11.604  -0.849  -6.888
  380    H    SER  46           H        SER  46  12.316  -0.364  -1.260
  381    HA   SER  46           HA       SER  46  14.981   0.792  -1.027
  382    HB2  SER  46          1HB       SER  46  14.833   0.255   1.354
  383    HB3  SER  46          2HB       SER  46  13.442   1.239   0.846
  384    HG   SER  46           HG       SER  46  12.221  -0.682   0.765
  385    H    LEU  47           H        LEU  47  16.417  -0.936   0.421
  386    HA   LEU  47           HA       LEU  47  16.712  -3.112  -1.410
  387    HB2  LEU  47          1HB       LEU  47  17.981  -2.301   1.130
  388    HB3  LEU  47          2HB       LEU  47  18.674  -3.655   0.209
  389    HG   LEU  47           HG       LEU  47  18.488  -0.755  -0.693
  390   HD11  LEU  47          1HD1      LEU  47  20.994  -0.843  -0.592
  391   HD12  LEU  47          2HD1      LEU  47  20.271  -1.173   1.000
  392   HD13  LEU  47          3HD1      LEU  47  20.895  -2.515   0.010
  393   HD21  LEU  47          1HD2      LEU  47  19.772  -1.489  -2.670
  394   HD22  LEU  47          2HD2      LEU  47  19.643  -3.173  -2.107
  395   HD23  LEU  47          3HD2      LEU  47  18.178  -2.271  -2.558
  396    H    LEU  48           H        LEU  48  15.048  -2.540   1.605
  397    HA   LEU  48           HA       LEU  48  15.169  -5.374   2.296
  398    HB2  LEU  48          1HB       LEU  48  14.183  -2.925   3.625
  399    HB3  LEU  48          2HB       LEU  48  14.077  -4.486   4.472
  400    HG   LEU  48           HG       LEU  48  16.611  -3.013   3.655
  401   HD11  LEU  48          1HD1      LEU  48  17.008  -2.903   6.130
  402   HD12  LEU  48          2HD1      LEU  48  15.488  -2.094   5.682
  403   HD13  LEU  48          3HD1      LEU  48  15.452  -3.722   6.400
  404   HD21  LEU  48          1HD2      LEU  48  17.827  -4.841   4.788
  405   HD22  LEU  48          2HD2      LEU  48  16.283  -5.696   5.025
  406   HD23  LEU  48          3HD2      LEU  48  16.895  -5.405   3.379
  407    H    VAL  49           H        VAL  49  12.835  -2.679   1.677
  408    HA   VAL  49           HA       VAL  49  10.798  -4.751   1.248
  409    HB   VAL  49           HB       VAL  49   9.131  -3.059   2.107
  410   HG11  VAL  49          1HG1      VAL  49   9.658  -3.377   4.502
  411   HG12  VAL  49          2HG1      VAL  49   9.957  -4.867   3.575
  412   HG13  VAL  49          3HG1      VAL  49  11.322  -3.839   4.074
  413   HG21  VAL  49          1HG2      VAL  49   9.930  -1.170   3.435
  414   HG22  VAL  49          2HG2      VAL  49  11.605  -1.553   2.969
  415   HG23  VAL  49          3HG2      VAL  49  10.429  -1.047   1.732
  416    H    LYS  50           H        LYS  50   9.323  -4.366  -0.469
  417    HA   LYS  50           HA       LYS  50  10.231  -2.246  -2.281
  418    HB2  LYS  50          1HB       LYS  50  10.405  -4.524  -3.148
  419    HB3  LYS  50          2HB       LYS  50   8.694  -4.819  -2.758
  420    HG2  LYS  50          1HG       LYS  50   8.038  -3.088  -4.399
  421    HG3  LYS  50          2HG       LYS  50   9.752  -2.846  -4.810
  422    HD2  LYS  50          1HD       LYS  50   9.919  -5.177  -5.556
  423    HD3  LYS  50          2HD       LYS  50   8.217  -5.449  -5.112
  424    HE2  LYS  50          1HE       LYS  50   7.549  -3.694  -6.737
  425    HE3  LYS  50          2HE       LYS  50   9.252  -3.528  -7.221
  426    HZ1  LYS  50          1HZ       LYS  50   8.040  -4.969  -8.711
  427    HZ2  LYS  50          2HZ       LYS  50   9.208  -5.825  -7.923
  428    H    TYR  51           H        TYR  51   8.688  -0.864  -3.286
  429    HA   TYR  51           HA       TYR  51   6.113  -0.832  -1.858
  430    HB2  TYR  51          1HB       TYR  51   7.815   1.433  -2.903
  431    HB3  TYR  51          2HB       TYR  51   6.167   1.606  -2.250
  432    HD1  TYR  51          1HD       TYR  51   9.699   1.097  -1.433
  433    HD2  TYR  51          2HD       TYR  51   5.745   1.232   0.157
  434    HE1  TYR  51          1HE       TYR  51  10.633   1.285   0.854
  435    HE2  TYR  51          2HE       TYR  51   6.660   1.419   2.445
  436    HH   TYR  51           HH       TYR  51  10.177   1.468   3.071
  437    H    VAL  52           H        VAL  52   4.313  -1.055  -3.099
  438    HA   VAL  52           HA       VAL  52   4.542  -0.186  -5.897
  439    HB   VAL  52           HB       VAL  52   2.869  -2.492  -4.790
  440   HG11  VAL  52          1HG1      VAL  52   2.316  -2.911  -7.163
  441   HG12  VAL  52          2HG1      VAL  52   1.772  -1.295  -6.655
  442   HG13  VAL  52          3HG1      VAL  52   3.247  -1.471  -7.635
  443   HG21  VAL  52          1HG2      VAL  52   4.308  -3.938  -6.133
  444   HG22  VAL  52          2HG2      VAL  52   5.312  -2.534  -6.567
  445   HG23  VAL  52          3HG2      VAL  52   5.219  -3.072  -4.873
  446    H    CYS  53           H        CYS  53   3.061   1.325  -6.532
  447    HA   CYS  53           HA       CYS  53   0.873   1.818  -4.645
  448    HB2  CYS  53          1HB       CYS  53   2.247   3.932  -6.302
  449    HB3  CYS  53          2HB       CYS  53   1.044   4.166  -5.047
  450    H    CYS  54           H        CYS  54  -1.093   2.797  -5.734
  451    HA   CYS  54           HA       CYS  54  -1.144   2.728  -8.593
  452    HB2  CYS  54          1HB       CYS  54  -3.146   1.159  -8.606
  453    HB3  CYS  54          2HB       CYS  54  -1.550   0.451  -8.463
  454    H    ASN  55           H        ASN  55  -3.272   3.702  -9.371
  455    HA   ASN  55           HA       ASN  55  -3.734   5.730  -7.344
  456    HB2  ASN  55          1HB       ASN  55  -3.826   7.397  -9.263
  457    HB3  ASN  55          2HB       ASN  55  -2.514   6.202  -9.125
  458   HD21  ASN  55          1HD2      ASN  55  -3.697   6.567 -12.662
  459   HD22  ASN  55          2HD2      ASN  55  -3.219   7.695 -11.437
  460    H    THR  56           H        THR  56  -5.329   3.230  -7.551
  461    HA   THR  56           HA       THR  56  -7.929   4.520  -7.970
  462    HB   THR  56           HB       THR  56  -8.797   2.329  -8.838
  463    HG1  THR  56          1HG       THR  56  -7.190   0.802  -9.545
  464   HG21  THR  56          1HG2      THR  56  -7.833   2.503 -11.105
  465   HG22  THR  56          2HG2      THR  56  -8.170   4.115 -10.428
  466   HG23  THR  56          3HG2      THR  56  -6.503   3.495 -10.465
  467    H    ASP  57           H        ASP  57  -9.713   2.973  -6.969
  468    HA   ASP  57           HA       ASP  57  -8.901   3.064  -4.252
  469    HB2  ASP  57          1HB       ASP  57 -11.623   2.527  -5.567
  470    HB3  ASP  57          2HB       ASP  57 -11.199   2.421  -3.840
  471    HD2  ASP  57           HD       ASP  57 -11.840   5.972  -5.314
  472    H    ARG  58           H        ARG  58  -8.595   1.253  -2.863
  473    HA   ARG  58           HA       ARG  58  -8.332  -0.799  -2.229
  474    HB2  ARG  58          1HB       ARG  58 -10.800  -1.296  -3.844
  475    HB3  ARG  58          2HB       ARG  58 -10.099  -2.415  -2.652
  476    HG2  ARG  58          1HG       ARG  58 -10.364  -0.570  -0.938
  477    HG3  ARG  58          2HG       ARG  58 -11.311   0.316  -2.157
  478    HD2  ARG  58          1HD       ARG  58 -12.762  -0.790  -0.632
  479    HD3  ARG  58          2HD       ARG  58 -12.887  -1.539  -2.240
  480    HE   ARG  58           HE       ARG  58 -11.126  -3.124  -0.499
  481   HH11  ARG  58          1HH       ARG  58 -14.974  -3.974  -0.553
  482   HH21  ARG  58          1HH2      ARG  58 -11.613  -4.944   0.194
  483   HH22  ARG  58          2HH2      ARG  58 -13.289  -5.459   0.223
  484    H    CYS  59           H        CYS  59  -6.792  -0.036  -4.557
  485    HA   CYS  59           HA       CYS  59  -6.996  -2.212  -6.430
  486    HB2  CYS  59          1HB       CYS  59  -5.147  -1.066  -7.589
  487    HB3  CYS  59          2HB       CYS  59  -6.571  -0.069  -7.363
  488    H    ASN  60           H        ASN  60  -5.143  -1.174  -3.589
  489    HA   ASN  60           HA       ASN  60  -3.117  -3.157  -4.126
  490    HB2  ASN  60          1HB       ASN  60  -1.926  -2.147  -2.216
  491    HB3  ASN  60          2HB       ASN  60  -2.471  -0.871  -3.287
  492   HD21  ASN  60          1HD2      ASN  60  -1.894  -0.009  -0.934
  493   HD22  ASN  60          2HD2      ASN  60  -3.270   0.302   0.072
  Start of MODEL    2
    1    H1   MET   0          1H        MET   0 -11.566  12.161   0.825
    2    H2   MET   0          2H        MET   0 -11.394  12.593  -0.602
    3    H    MET   0           H        MET   0 -12.140  11.279  -0.287
    4    H3   MET   0          3H        MET   0 -12.183  11.359  -0.282
    5    HA   MET   0           HA       MET   0  -9.463  11.468  -0.888
    6    HB2  MET   0          1HB       MET   0 -10.068  10.514   1.921
    7    HB3  MET   0          2HB       MET   0  -8.513  10.273   1.090
    8    HG2  MET   0          1HG       MET   0  -9.741  12.986   1.654
    9    HG3  MET   0          2HG       MET   0  -8.562  12.189   2.722
   10    HE1  MET   0          1HE       MET   0  -7.712  14.684  -0.950
   11    HE2  MET   0          2HE       MET   0  -9.190  13.693  -0.871
   12    HE3  MET   0          3HE       MET   0  -8.874  14.921   0.378
   13    H    LEU   1           H        LEU   1  -8.422   9.184  -1.036
   14    HA   LEU   1           HA       LEU   1 -10.416   7.613  -2.338
   15    HB2  LEU   1          1HB       LEU   1  -7.473   7.756  -2.203
   16    HB3  LEU   1          2HB       LEU   1  -8.126   6.152  -2.470
   17    HG   LEU   1           HG       LEU   1  -9.552   7.426  -4.327
   18   HD11  LEU   1          1HD1      LEU   1  -8.883   9.648  -4.022
   19   HD12  LEU   1          2HD1      LEU   1  -7.167   9.207  -3.854
   20   HD13  LEU   1          3HD1      LEU   1  -7.963   9.096  -5.443
   21   HD21  LEU   1          1HD2      LEU   1  -6.848   7.019  -5.350
   22   HD22  LEU   1          2HD2      LEU   1  -7.401   5.691  -4.302
   23   HD23  LEU   1          3HD2      LEU   1  -8.362   6.161  -5.725
   24    H    LYS   2           H        LYS   2  -9.968   5.016  -1.998
   25    HA   LYS   2           HA       LYS   2  -9.795   4.537   0.887
   26    HB2  LYS   2          1HB       LYS   2 -11.481   2.687   0.474
   27    HB3  LYS   2          2HB       LYS   2 -12.103   4.355   0.479
   28    HG2  LYS   2          1HG       LYS   2 -11.912   4.283  -2.065
   29    HG3  LYS   2          2HG       LYS   2 -11.649   2.531  -1.897
   30    HD2  LYS   2          1HD       LYS   2 -14.062   4.045  -0.841
   31    HD3  LYS   2          2HD       LYS   2 -14.024   3.126  -2.364
   32    HE2  LYS   2          1HE       LYS   2 -13.469   1.080  -1.104
   33    HE3  LYS   2          2HE       LYS   2 -13.546   2.004   0.414
   34    HZ1  LYS   2          1HZ       LYS   2 -15.591   0.820  -0.012
   35    HZ2  LYS   2          2HZ       LYS   2 -15.862   2.447  -0.050
   36    H    CYS   3           H        CYS   3  -8.281   3.039   1.402
   37    HA   CYS   3           HA       CYS   3  -7.317   1.398  -0.827
   38    HB2  CYS   3          1HB       CYS   3  -5.693   2.486   1.477
   39    HB3  CYS   3          2HB       CYS   3  -5.094   1.492   0.164
   40    H    ASN   4           H        ASN   4  -6.104  -0.656   0.128
   41    HA   ASN   4           HA       ASN   4  -8.176  -1.801   1.778
   42    HB2  ASN   4          1HB       ASN   4  -6.158  -3.265  -0.072
   43    HB3  ASN   4          2HB       ASN   4  -7.226  -3.793   1.251
   44   HD21  ASN   4          1HD2      ASN   4  -8.746  -3.788  -2.290
   45   HD22  ASN   4          2HD2      ASN   4  -7.120  -4.116  -1.791
   46    H    LYS   5           H        LYS   5  -7.710  -2.762   3.830
   47    HA   LYS   5           HA       LYS   5  -5.194  -2.280   5.040
   48    HB2  LYS   5          1HB       LYS   5  -7.482  -4.133   5.773
   49    HB3  LYS   5          2HB       LYS   5  -6.103  -3.742   6.828
   50    HG2  LYS   5          1HG       LYS   5  -6.791  -1.382   6.865
   51    HG3  LYS   5          2HG       LYS   5  -8.163  -1.762   5.797
   52    HD2  LYS   5          1HD       LYS   5  -9.035  -3.322   7.525
   53    HD3  LYS   5          2HD       LYS   5  -7.699  -2.840   8.598
   54    HE2  LYS   5          1HE       LYS   5  -8.489  -0.525   8.572
   55    HE3  LYS   5          2HE       LYS   5  -9.800  -0.972   7.457
   56    HZ1  LYS   5          1HZ       LYS   5 -10.567  -0.854   9.730
   57    HZ2  LYS   5          2HZ       LYS   5 -10.684  -2.403   9.173
   58    H    LEU   6           H        LEU   6  -4.060  -4.322   6.172
   59    HA   LEU   6           HA       LEU   6  -3.117  -6.152   4.337
   60    HB2  LEU   6          1HB       LEU   6  -2.181  -5.720   6.407
   61    HB3  LEU   6          2HB       LEU   6  -3.513  -6.392   7.377
   62    HG   LEU   6           HG       LEU   6  -3.050  -8.631   6.385
   63   HD11  LEU   6          1HD1      LEU   6  -0.867  -8.964   5.195
   64   HD12  LEU   6          2HD1      LEU   6  -1.925  -7.847   4.303
   65   HD13  LEU   6          3HD1      LEU   6  -0.575  -7.211   5.272
   66   HD21  LEU   6          1HD2      LEU   6  -0.997  -9.081   7.684
   67   HD22  LEU   6          2HD2      LEU   6  -0.714  -7.328   7.811
   68   HD23  LEU   6          3HD2      LEU   6  -2.155  -8.053   8.563
   69    H    VAL   7           H        VAL   7  -6.086  -6.192   6.365
   70    HA   VAL   7           HA       VAL   7  -6.930  -8.697   5.253
   71    HB   VAL   7           HB       VAL   7  -8.448  -6.519   6.766
   72   HG11  VAL   7          1HG1      VAL   7 -10.176  -8.255   7.102
   73   HG12  VAL   7          2HG1      VAL   7  -9.950  -7.902   5.373
   74   HG13  VAL   7          3HG1      VAL   7  -9.248  -9.377   6.080
   75   HG21  VAL   7          1HG2      VAL   7  -8.290  -8.034   8.677
   76   HG22  VAL   7          2HG2      VAL   7  -7.295  -9.148   7.711
   77   HG23  VAL   7          3HG2      VAL   7  -6.689  -7.520   8.098
   78    HA   PRO   8           HA       PRO   8  -7.794  -6.830   1.484
   79    HB2  PRO   8          1HB       PRO   8  -9.054  -9.442   0.804
   80    HB3  PRO   8          2HB       PRO   8  -7.776  -8.608  -0.090
   81    HG2  PRO   8          1HG       PRO   8  -7.152 -10.718   1.414
   82    HG3  PRO   8          2HG       PRO   8  -6.079  -9.313   1.406
   83    HD2  PRO   8          1HD       PRO   8  -8.114 -10.140   3.519
   84    HD3  PRO   8          2HD       PRO   8  -6.487  -9.488   3.744
   85    H    ILE   9           H        ILE   9 -10.162  -7.992   3.590
   86    HA   ILE   9           HA       ILE   9 -12.266  -6.998   1.801
   87    HB   ILE   9           HB       ILE   9 -13.802  -8.369   3.238
   88   HG12  ILE   9          1HG1      ILE   9 -11.307  -9.455   4.508
   89   HG13  ILE   9          2HG1      ILE   9 -12.324  -8.190   5.235
   90   HG21  ILE   9          1HG2      ILE   9 -13.047 -10.588   2.451
   91   HG22  ILE   9          2HG2      ILE   9 -12.842  -9.357   1.184
   92   HG23  ILE   9          3HG2      ILE   9 -11.433  -9.920   2.114
   93   HD11  ILE   9          1HD1      ILE   9 -12.868 -10.408   6.158
   94   HD12  ILE   9          2HD1      ILE   9 -14.242  -9.738   5.246
   95   HD13  ILE   9          3HD1      ILE   9 -13.224 -11.003   4.520
   96    H    ALA  10           H        ALA  10 -10.374  -5.476   3.689
   97    HA   ALA  10           HA       ALA  10 -12.557  -3.869   4.729
   98    HB1  ALA  10          1HB       ALA  10 -12.039  -5.126   6.691
   99    HB2  ALA  10          2HB       ALA  10 -10.288  -5.007   6.395
  100    HB3  ALA  10          3HB       ALA  10 -11.208  -3.563   6.883
  101    H    TYR  11           H        TYR  11 -12.134  -1.663   4.557
  102    HA   TYR  11           HA       TYR  11  -9.514  -1.037   3.369
  103    HB2  TYR  11          1HB       TYR  11 -10.642   0.660   2.070
  104    HB3  TYR  11          2HB       TYR  11 -11.312  -0.959   1.751
  105    HD1  TYR  11          1HD       TYR  11 -11.981   2.359   3.195
  106    HD2  TYR  11          2HD       TYR  11 -13.583  -1.524   2.457
  107    HE1  TYR  11          1HE       TYR  11 -14.252   3.205   3.710
  108    HE2  TYR  11          2HE       TYR  11 -15.855  -0.695   2.966
  109    HH   TYR  11           HH       TYR  11 -16.460   2.704   3.883
  110    H    LYS  12           H        LYS  12  -8.633   1.106   3.824
  111    HA   LYS  12           HA       LYS  12  -9.990   2.462   6.050
  112    HB2  LYS  12          1HB       LYS  12  -7.093   2.462   5.158
  113    HB3  LYS  12          2HB       LYS  12  -7.759   3.555   6.395
  114    HG2  LYS  12          1HG       LYS  12  -8.362   1.589   7.777
  115    HG3  LYS  12          2HG       LYS  12  -7.630   0.524   6.554
  116    HD2  LYS  12          1HD       LYS  12  -5.448   1.512   6.921
  117    HD3  LYS  12          2HD       LYS  12  -6.143   2.724   8.024
  118    HE2  LYS  12          1HE       LYS  12  -6.834   0.914   9.556
  119    HE3  LYS  12          2HE       LYS  12  -6.088  -0.277   8.464
  120    HZ1  LYS  12          1HZ       LYS  12  -4.630   0.297  10.285
  121    HZ2  LYS  12          2HZ       LYS  12  -3.970   0.788   8.854
  122    H    THR  13           H        THR  13 -10.466   4.675   5.848
  123    HA   THR  13           HA       THR  13 -10.382   5.782   3.197
  124    HB   THR  13           HB       THR  13 -11.034   7.057   5.902
  125    HG1  THR  13          1HG       THR  13 -13.217   6.703   5.180
  126   HG21  THR  13          1HG2      THR  13 -12.185   8.771   4.546
  127   HG22  THR  13          2HG2      THR  13 -10.450   8.704   4.154
  128   HG23  THR  13          3HG2      THR  13 -11.639   7.962   3.058
  129    H    CYS  14           H        CYS  14  -8.976   7.222   2.309
  130    HA   CYS  14           HA       CYS  14  -6.404   7.166   3.461
  131    HB2  CYS  14          1HB       CYS  14  -7.513   8.620   1.056
  132    HB3  CYS  14          2HB       CYS  14  -5.821   8.649   1.511
  133    HA   PRO  15           HA       PRO  15  -6.604  10.980   5.607
  134    HB2  PRO  15          1HB       PRO  15  -4.007  11.651   5.937
  135    HB3  PRO  15          2HB       PRO  15  -4.657  10.238   6.781
  136    HG2  PRO  15          1HG       PRO  15  -3.134  10.356   4.155
  137    HG3  PRO  15          2HG       PRO  15  -2.899   9.263   5.525
  138    HD2  PRO  15          1HD       PRO  15  -4.341   8.522   3.293
  139    HD3  PRO  15          2HD       PRO  15  -4.707   7.876   4.897
  140    H    GLU  16           H        GLU  16  -6.410  13.298   5.501
  141    HA   GLU  16           HA       GLU  16  -6.880  14.177   2.947
  142    HB2  GLU  16          1HB       GLU  16  -7.547  15.346   4.992
  143    HB3  GLU  16          2HB       GLU  16  -5.840  15.684   5.369
  144    HG2  GLU  16          1HG       GLU  16  -5.719  17.159   3.300
  145    HG3  GLU  16          2HG       GLU  16  -7.408  16.676   3.025
  146    HE2  GLU  16           HE       GLU  16  -7.398  19.804   4.885
  147    H    GLY  17           H        GLY  17  -5.600  14.860   1.246
  148    HA2  GLY  17          1HA       GLY  17  -3.728  15.923   0.351
  149    HA3  GLY  17          2HA       GLY  17  -2.806  15.557   1.796
  150    H    LYS  18           H        LYS  18  -4.094  12.683   1.657
  151    HA   LYS  18           HA       LYS  18  -2.099  11.653  -0.204
  152    HB2  LYS  18          1HB       LYS  18  -3.745  10.438   2.026
  153    HB3  LYS  18          2HB       LYS  18  -2.766   9.463   0.905
  154    HG2  LYS  18          1HG       LYS  18  -1.618   9.880   3.066
  155    HG3  LYS  18          2HG       LYS  18  -0.732  10.539   1.670
  156    HD2  LYS  18          1HD       LYS  18  -1.365  12.760   2.170
  157    HD3  LYS  18          2HD       LYS  18  -2.649  12.229   3.283
  158    HE2  LYS  18          1HE       LYS  18  -0.692  13.118   4.490
  159    HE3  LYS  18          2HE       LYS  18  -0.993  11.404   4.861
  160    HZ1  LYS  18          1HZ       LYS  18   1.338  11.836   4.481
  161    HZ2  LYS  18          2HZ       LYS  18   0.751  10.831   3.312
  162    H    ASN  19           H        ASN  19  -2.685   9.940  -1.739
  163    HA   ASN  19           HA       ASN  19  -5.465  10.215  -2.539
  164    HB2  ASN  19          1HB       ASN  19  -4.031  11.959  -3.912
  165    HB3  ASN  19          2HB       ASN  19  -3.156  10.436  -4.198
  166   HD21  ASN  19          1HD2      ASN  19  -6.405  11.463  -6.382
  167   HD22  ASN  19          2HD2      ASN  19  -5.819  12.427  -5.066
  168    H    LEU  20           H        LEU  20  -2.230   8.617  -2.892
  169    HA   LEU  20           HA       LEU  20  -3.379   6.657  -4.688
  170    HB2  LEU  20          1HB       LEU  20  -0.666   7.018  -3.574
  171    HB3  LEU  20          2HB       LEU  20  -0.964   5.975  -4.984
  172    HG   LEU  20           HG       LEU  20  -1.210   9.006  -4.860
  173   HD11  LEU  20          1HD1      LEU  20   0.647   8.942  -6.547
  174   HD12  LEU  20          2HD1      LEU  20   1.131   8.163  -5.024
  175   HD13  LEU  20          3HD1      LEU  20   0.674   7.168  -6.427
  176   HD21  LEU  20          1HD2      LEU  20  -1.742   8.884  -7.269
  177   HD22  LEU  20          2HD2      LEU  20  -1.765   7.107  -7.158
  178   HD23  LEU  20          3HD2      LEU  20  -2.958   8.072  -6.256
  179    H    CYS  21           H        CYS  21  -2.976   4.308  -4.354
  180    HA   CYS  21           HA       CYS  21  -2.962   3.681  -1.498
  181    HB2  CYS  21          1HB       CYS  21  -4.023   2.096  -3.840
  182    HB3  CYS  21          2HB       CYS  21  -3.969   1.515  -2.188
  183    H    TYR  22           H        TYR  22  -1.296   2.380  -0.689
  184    HA   TYR  22           HA       TYR  22   0.649   1.436  -2.685
  185    HB2  TYR  22          1HB       TYR  22   2.411   2.133  -1.354
  186    HB3  TYR  22          2HB       TYR  22   1.263   3.495  -1.358
  187    HD1  TYR  22          1HD       TYR  22   2.698   0.763   0.679
  188    HD2  TYR  22          2HD       TYR  22   0.138   4.173   0.671
  189    HE1  TYR  22          1HE       TYR  22   2.670   0.739   3.156
  190    HE2  TYR  22          2HE       TYR  22   0.099   4.163   3.142
  191    HH   TYR  22           HH       TYR  22   0.831   3.144   5.042
  192    H    LYS  23           H        LYS  23   1.744  -0.549  -2.218
  193    HA   LYS  23           HA       LYS  23   1.010  -1.796   0.328
  194    HB2  LYS  23          1HB       LYS  23   0.970  -3.977  -0.803
  195    HB3  LYS  23          2HB       LYS  23  -0.308  -2.888  -1.392
  196    HG2  LYS  23          1HG       LYS  23   0.943  -2.434  -3.419
  197    HG3  LYS  23          2HG       LYS  23   2.327  -3.375  -2.817
  198    HD2  LYS  23          1HD       LYS  23   0.887  -4.591  -4.483
  199    HD3  LYS  23          2HD       LYS  23   1.085  -5.423  -2.923
  200    HE2  LYS  23          1HE       LYS  23  -1.088  -4.633  -2.180
  201    HE3  LYS  23          2HE       LYS  23  -1.282  -3.680  -3.669
  202    HZ1  LYS  23          1HZ       LYS  23  -2.480  -5.758  -3.782
  203    HZ2  LYS  23          2HZ       LYS  23  -1.276  -5.737  -4.910
  204    H    MET  24           H        MET  24   2.688  -2.989   1.322
  205    HA   MET  24           HA       MET  24   5.271  -2.487   0.061
  206    HB2  MET  24          1HB       MET  24   4.496  -2.747   2.976
  207    HB3  MET  24          2HB       MET  24   6.163  -2.554   2.382
  208    HG2  MET  24          1HG       MET  24   5.425  -0.376   1.338
  209    HG3  MET  24          2HG       MET  24   3.887  -0.561   2.215
  210    HE1  MET  24          1HE       MET  24   4.934  -0.257   5.943
  211    HE2  MET  24          2HE       MET  24   3.588  -0.297   4.778
  212    HE3  MET  24          3HE       MET  24   4.627  -1.728   4.988
  213    H    PHE  25           H        PHE  25   6.727  -4.195  -0.204
  214    HA   PHE  25           HA       PHE  25   5.832  -6.779   0.859
  215    HB2  PHE  25          1HB       PHE  25   7.651  -5.975  -1.491
  216    HB3  PHE  25          2HB       PHE  25   7.317  -7.636  -1.048
  217    HD1  PHE  25          1HD       PHE  25   5.345  -8.710  -1.757
  218    HD2  PHE  25          2HD       PHE  25   5.772  -4.533  -2.333
  219    HE1  PHE  25          1HE       PHE  25   3.311  -8.707  -3.250
  220    HE2  PHE  25          2HE       PHE  25   3.750  -4.527  -3.822
  221    HZ   PHE  25           HZ       PHE  25   2.544  -6.611  -4.262
  222    H    MET  26           H        MET  26   7.671  -8.325   1.437
  223    HA   MET  26           HA       MET  26  10.121  -6.845   2.017
  224    HB2  MET  26          1HB       MET  26   8.974  -9.350   3.269
  225    HB3  MET  26          2HB       MET  26  10.600  -8.712   3.614
  226    HG2  MET  26          1HG       MET  26   9.616  -6.655   4.506
  227    HG3  MET  26          2HG       MET  26   7.985  -7.265   4.136
  228    HE1  MET  26          1HE       MET  26   8.107  -7.400   8.076
  229    HE2  MET  26          2HE       MET  26   8.858  -6.176   7.024
  230    HE3  MET  26          3HE       MET  26   7.229  -6.793   6.651
  231    H    MET  27           H        MET  27  12.146  -7.785   1.374
  232    HA   MET  27           HA       MET  27  12.108  -8.763  -1.131
  233    HB2  MET  27          1HB       MET  27  14.126  -8.946   1.096
  234    HB3  MET  27          2HB       MET  27  14.483  -9.602  -0.520
  235    HG2  MET  27          1HG       MET  27  13.781  -6.722   0.128
  236    HG3  MET  27          2HG       MET  27  15.408  -7.343  -0.234
  237    HE1  MET  27          1HE       MET  27  15.176  -8.301  -3.998
  238    HE2  MET  27          2HE       MET  27  16.241  -8.069  -2.592
  239    HE3  MET  27          3HE       MET  27  15.012  -9.358  -2.574
  240    H    SER  28           H        SER  28  11.891 -10.585   1.923
  241    HA   SER  28           HA       SER  28  12.317 -13.107   0.849
  242    HB2  SER  28          1HB       SER  28  12.312 -12.654   3.236
  243    HB3  SER  28          2HB       SER  28  10.595 -12.191   3.171
  244    HG   SER  28           HG       SER  28  10.912 -14.338   3.906
  245    H    ASP  29           H        ASP  29   9.154 -11.531   1.754
  246    HA   ASP  29           HA       ASP  29   7.864 -13.427   0.003
  247    HB2  ASP  29          1HB       ASP  29   7.039 -13.071   2.413
  248    HB3  ASP  29          2HB       ASP  29   6.736 -11.413   1.835
  249    HD2  ASP  29           HD       ASP  29   3.655 -13.371   1.489
  250    H    LEU  30           H        LEU  30   8.566 -12.336  -2.031
  251    HA   LEU  30           HA       LEU  30   7.645  -9.662  -2.510
  252    HB2  LEU  30          1HB       LEU  30   9.007 -11.834  -3.850
  253    HB3  LEU  30          2HB       LEU  30   8.242 -10.719  -5.004
  254    HG   LEU  30           HG       LEU  30   9.843  -9.157  -4.722
  255   HD11  LEU  30          1HD1      LEU  30  10.720  -8.475  -2.472
  256   HD12  LEU  30          2HD1      LEU  30   8.943  -8.561  -2.474
  257   HD13  LEU  30          3HD1      LEU  30   9.897  -9.875  -1.745
  258   HD21  LEU  30          1HD2      LEU  30  12.040  -9.988  -3.955
  259   HD22  LEU  30          2HD2      LEU  30  11.237 -11.418  -3.262
  260   HD23  LEU  30          3HD2      LEU  30  11.202 -11.142  -5.020
  261    H    THR  31           H        THR  31   6.262 -12.830  -2.477
  262    HA   THR  31           HA       THR  31   4.547 -12.496  -4.734
  263    HB   THR  31           HB       THR  31   4.433 -14.429  -2.367
  264    HG1  THR  31          1HG       THR  31   5.403 -15.862  -3.924
  265   HG21  THR  31          1HG2      THR  31   3.008 -15.803  -3.845
  266   HG22  THR  31          2HG2      THR  31   2.264 -14.216  -3.531
  267   HG23  THR  31          3HG2      THR  31   3.068 -14.530  -5.087
  268    H    ILE  32           H        ILE  32   4.186 -12.107  -1.172
  269    HA   ILE  32           HA       ILE  32   1.579 -10.882  -1.742
  270    HB   ILE  32           HB       ILE  32   2.355 -12.775   0.529
  271   HG12  ILE  32          1HG1      ILE  32   1.749 -13.854  -1.537
  272   HG13  ILE  32          2HG1      ILE  32   0.560 -14.144  -0.246
  273   HG21  ILE  32          1HG2      ILE  32   0.085 -12.368   1.420
  274   HG22  ILE  32          2HG2      ILE  32   1.046 -10.870   1.408
  275   HG23  ILE  32          3HG2      ILE  32  -0.191 -11.144   0.159
  276   HD11  ILE  32          1HD1      ILE  32  -0.553 -13.755  -2.410
  277   HD12  ILE  32          2HD1      ILE  32  -0.938 -12.464  -1.247
  278   HD13  ILE  32          3HD1      ILE  32   0.252 -12.174  -2.539
  279    HA   PRO  33           HA       PRO  33   3.460  -7.590   0.406
  280    HB2  PRO  33          1HB       PRO  33   1.392  -5.818   0.396
  281    HB3  PRO  33          2HB       PRO  33   2.332  -6.110  -1.075
  282    HG2  PRO  33          1HG       PRO  33  -0.301  -7.355  -0.214
  283    HG3  PRO  33          2HG       PRO  33   0.160  -6.714  -1.797
  284    HD2  PRO  33          1HD       PRO  33   0.238  -9.405  -1.265
  285    HD3  PRO  33          2HD       PRO  33   1.397  -8.655  -2.370
  286    H    VAL  34           H        VAL  34   3.255  -6.299   2.435
  287    HA   VAL  34           HA       VAL  34   2.116  -8.270   4.297
  288    HB   VAL  34           HB       VAL  34   4.008  -7.709   5.799
  289   HG11  VAL  34          1HG1      VAL  34   5.834  -8.724   4.476
  290   HG12  VAL  34          2HG1      VAL  34   4.292  -9.565   4.190
  291   HG13  VAL  34          3HG1      VAL  34   4.920  -8.420   2.981
  292   HG21  VAL  34          1HG2      VAL  34   5.861  -6.319   5.022
  293   HG22  VAL  34          2HG2      VAL  34   4.947  -5.928   3.546
  294   HG23  VAL  34          3HG2      VAL  34   4.340  -5.403   5.134
  295    H    LYS  35           H        LYS  35   2.329  -4.930   3.270
  296    HA   LYS  35           HA       LYS  35   0.348  -4.280   5.271
  297    HB2  LYS  35          1HB       LYS  35   3.023  -2.895   4.990
  298    HB3  LYS  35          2HB       LYS  35   1.601  -2.099   5.706
  299    HG2  LYS  35          1HG       LYS  35   1.518  -4.051   7.350
  300    HG3  LYS  35          2HG       LYS  35   3.133  -4.495   6.748
  301    HD2  LYS  35          1HD       LYS  35   3.569  -3.180   8.650
  302    HD3  LYS  35          2HD       LYS  35   3.803  -2.071   7.277
  303    HE2  LYS  35          1HE       LYS  35   1.631  -1.091   7.611
  304    HE3  LYS  35          2HE       LYS  35   1.215  -2.311   8.835
  305    HZ1  LYS  35          1HZ       LYS  35   1.861  -0.228   9.839
  306    HZ2  LYS  35          2HZ       LYS  35   2.947  -1.407  10.233
  307    H    ARG  36           H        ARG  36  -1.019  -2.550   4.620
  308    HA   ARG  36           HA       ARG  36  -0.354  -1.337   2.092
  309    HB2  ARG  36          1HB       ARG  36  -2.868  -2.907   2.506
  310    HB3  ARG  36          2HB       ARG  36  -2.570  -1.784   1.157
  311    HG2  ARG  36          1HG       ARG  36  -1.904  -3.662   0.086
  312    HG3  ARG  36          2HG       ARG  36  -0.380  -3.359   0.956
  313    HD2  ARG  36          1HD       ARG  36  -0.987  -5.661   1.102
  314    HD3  ARG  36          2HD       ARG  36  -1.096  -4.891   2.702
  315    HE   ARG  36           HE       ARG  36  -3.550  -5.308   2.612
  316   HH11  ARG  36          1HH       ARG  36  -3.385  -7.081  -0.903
  317   HH21  ARG  36          1HH2      ARG  36  -5.198  -6.325   2.085
  318   HH22  ARG  36          2HH2      ARG  36  -5.264  -7.169   0.551
  319    H    GLY  37           H        GLY  37  -1.509   0.695   1.737
  320    HA2  GLY  37          1HA       GLY  37  -3.494   1.645   3.534
  321    HA3  GLY  37          2HA       GLY  37  -1.908   2.211   4.020
  322    H    CYS  38           H        CYS  38  -2.884   4.390   3.495
  323    HA   CYS  38           HA       CYS  38  -2.944   4.863   0.613
  324    HB2  CYS  38          1HB       CYS  38  -3.902   6.692   2.818
  325    HB3  CYS  38          2HB       CYS  38  -4.142   6.899   1.093
  326    H    ILE  39           H        ILE  39  -1.708   6.736  -0.217
  327    HA   ILE  39           HA       ILE  39  -0.112   8.238   1.609
  328    HB   ILE  39           HB       ILE  39   1.285   6.133   1.231
  329   HG12  ILE  39          1HG1      ILE  39   2.610   8.518   0.010
  330   HG13  ILE  39          2HG1      ILE  39   2.096   8.506   1.713
  331   HG21  ILE  39          1HG2      ILE  39   2.373   5.895  -0.976
  332   HG22  ILE  39          2HG2      ILE  39   0.608   5.723  -1.111
  333   HG23  ILE  39          3HG2      ILE  39   1.394   7.242  -1.604
  334   HD11  ILE  39          1HD1      ILE  39   4.470   7.882   1.496
  335   HD12  ILE  39          2HD1      ILE  39   3.503   6.526   2.125
  336   HD13  ILE  39          3HD1      ILE  39   4.018   6.539   0.422
  337    H    ASP  40           H        ASP  40   1.118   9.981   0.406
  338    HA   ASP  40           HA       ASP  40  -0.619  10.845  -1.707
  339    HB2  ASP  40          1HB       ASP  40   0.620  13.071  -1.388
  340    HB3  ASP  40          2HB       ASP  40  -0.256  12.299  -0.044
  341    HD2  ASP  40           HD       ASP  40   3.164  13.345   0.982
  342    H    VAL  41           H        VAL  41   2.933  10.386  -1.042
  343    HA   VAL  41           HA       VAL  41   3.363  10.345  -3.949
  344    HB   VAL  41           HB       VAL  41   5.275  11.171  -1.715
  345   HG11  VAL  41          1HG1      VAL  41   6.805  11.783  -3.558
  346   HG12  VAL  41          2HG1      VAL  41   6.430  10.044  -3.587
  347   HG13  VAL  41          3HG1      VAL  41   5.636  11.145  -4.739
  348   HG21  VAL  41          1HG2      VAL  41   5.150  13.402  -2.703
  349   HG22  VAL  41          2HG2      VAL  41   3.922  12.822  -3.853
  350   HG23  VAL  41          3HG2      VAL  41   3.569  12.844  -2.109
  351    H    CYS  42           H        CYS  42   4.120   8.468  -4.806
  352    HA   CYS  42           HA       CYS  42   4.274   6.230  -3.100
  353    HB2  CYS  42          1HB       CYS  42   3.409   6.128  -5.388
  354    HB3  CYS  42          2HB       CYS  42   4.994   6.519  -6.025
  355    HA   PRO  43           HA       PRO  43   8.548   6.831  -2.204
  356    HB2  PRO  43          1HB       PRO  43   8.889   4.809  -0.409
  357    HB3  PRO  43          2HB       PRO  43   8.066   6.303   0.063
  358    HG2  PRO  43          1HG       PRO  43   6.867   3.670  -0.853
  359    HG3  PRO  43          2HG       PRO  43   6.366   4.715   0.483
  360    HD2  PRO  43          1HD       PRO  43   5.076   4.764  -1.942
  361    HD3  PRO  43          2HD       PRO  43   5.219   6.218  -0.945
  362    H    LYS  44           H        LYS  44  10.520   6.157  -2.969
  363    HA   LYS  44           HA       LYS  44  10.320   4.246  -5.044
  364    HB2  LYS  44          1HB       LYS  44  12.675   5.556  -3.658
  365    HB3  LYS  44          2HB       LYS  44  12.814   4.516  -5.096
  366    HG2  LYS  44          1HG       LYS  44  11.450   6.104  -6.385
  367    HG3  LYS  44          2HG       LYS  44  11.289   7.139  -4.946
  368    HD2  LYS  44          1HD       LYS  44  13.708   7.501  -4.905
  369    HD3  LYS  44          2HD       LYS  44  13.909   6.411  -6.299
  370    HE2  LYS  44          1HE       LYS  44  12.550   7.922  -7.679
  371    HE3  LYS  44          2HE       LYS  44  12.339   9.009  -6.286
  372    HZ1  LYS  44          1HZ       LYS  44  14.088   9.765  -7.749
  373    HZ2  LYS  44          2HZ       LYS  44  14.718   9.355  -6.280
  374    H    ASN  45           H        ASN  45  11.797   2.284  -5.191
  375    HA   ASN  45           HA       ASN  45  10.970   0.652  -3.066
  376    HB2  ASN  45          1HB       ASN  45  12.720  -0.183  -5.494
  377    HB3  ASN  45          2HB       ASN  45  12.069  -1.003  -4.053
  378   HD21  ASN  45          1HD2      ASN  45   9.852  -1.112  -7.182
  379   HD22  ASN  45          2HD2      ASN  45  11.576  -1.185  -7.032
  380    H    SER  46           H        SER  46  12.310  -0.439  -1.474
  381    HA   SER  46           HA       SER  46  14.977   0.717  -1.248
  382    HB2  SER  46          1HB       SER  46  14.801   0.302   1.141
  383    HB3  SER  46          2HB       SER  46  13.387   1.222   0.582
  384    HG   SER  46           HG       SER  46  12.215  -0.727   0.589
  385    H    LEU  47           H        LEU  47  16.381  -0.965   0.289
  386    HA   LEU  47           HA       LEU  47  16.706  -3.193  -1.472
  387    HB2  LEU  47          1HB       LEU  47  17.942  -2.304   1.058
  388    HB3  LEU  47          2HB       LEU  47  18.645  -3.689   0.191
  389    HG   LEU  47           HG       LEU  47  18.475  -0.818  -0.807
  390   HD11  LEU  47          1HD1      LEU  47  20.978  -0.905  -0.671
  391   HD12  LEU  47          2HD1      LEU  47  20.234  -1.183   0.921
  392   HD13  LEU  47          3HD1      LEU  47  20.870  -2.556  -0.016
  393   HD21  LEU  47          1HD2      LEU  47  19.784  -1.618  -2.743
  394   HD22  LEU  47          2HD2      LEU  47  19.646  -3.283  -2.127
  395   HD23  LEU  47          3HD2      LEU  47  18.188  -2.394  -2.627
  396    H    LEU  48           H        LEU  48  15.065  -2.536   1.557
  397    HA   LEU  48           HA       LEU  48  15.162  -5.359   2.292
  398    HB2  LEU  48          1HB       LEU  48  14.209  -2.882   3.591
  399    HB3  LEU  48          2HB       LEU  48  14.104  -4.427   4.465
  400    HG   LEU  48           HG       LEU  48  16.639  -2.988   3.590
  401   HD11  LEU  48          1HD1      LEU  48  17.066  -2.831   6.058
  402   HD12  LEU  48          2HD1      LEU  48  15.547  -2.018   5.611
  403   HD13  LEU  48          3HD1      LEU  48  15.505  -3.631   6.364
  404   HD21  LEU  48          1HD2      LEU  48  17.852  -4.803   4.747
  405   HD22  LEU  48          2HD2      LEU  48  16.305  -5.640   5.020
  406   HD23  LEU  48          3HD2      LEU  48  16.900  -5.388   3.362
  407    H    VAL  49           H        VAL  49  12.855  -2.660   1.613
  408    HA   VAL  49           HA       VAL  49  10.791  -4.720   1.260
  409    HB   VAL  49           HB       VAL  49   9.147  -2.988   2.072
  410   HG11  VAL  49          1HG1      VAL  49   9.684  -3.229   4.473
  411   HG12  VAL  49          2HG1      VAL  49   9.967  -4.752   3.597
  412   HG13  VAL  49          3HG1      VAL  49  11.342  -3.719   4.053
  413   HG21  VAL  49          1HG2      VAL  49   9.968  -1.061   3.330
  414   HG22  VAL  49          2HG2      VAL  49  11.637  -1.473   2.870
  415   HG23  VAL  49          3HG2      VAL  49  10.458  -1.001   1.621
  416    H    LYS  50           H        LYS  50   9.277  -4.338  -0.440
  417    HA   LYS  50           HA       LYS  50  10.231  -2.323  -2.344
  418    HB2  LYS  50          1HB       LYS  50  10.296  -4.626  -3.138
  419    HB3  LYS  50          2HB       LYS  50   8.587  -4.848  -2.692
  420    HG2  LYS  50          1HG       LYS  50   7.948  -3.147  -4.376
  421    HG3  LYS  50          2HG       LYS  50   9.657  -2.990  -4.844
  422    HD2  LYS  50          1HD       LYS  50   9.713  -5.342  -5.517
  423    HD3  LYS  50          2HD       LYS  50   8.022  -5.545  -4.998
  424    HE2  LYS  50          1HE       LYS  50   7.334  -3.845  -6.660
  425    HE3  LYS  50          2HE       LYS  50   9.022  -3.716  -7.204
  426    HZ1  LYS  50          1HZ       LYS  50   7.744  -5.183  -8.612
  427    HZ2  LYS  50          2HZ       LYS  50   8.928  -6.032  -7.837
  428    H    TYR  51           H        TYR  51   8.734  -0.903  -3.359
  429    HA   TYR  51           HA       TYR  51   6.200  -0.705  -1.877
  430    HB2  TYR  51          1HB       TYR  51   7.980   1.443  -3.035
  431    HB3  TYR  51          2HB       TYR  51   6.362   1.716  -2.342
  432    HD1  TYR  51          1HD       TYR  51   9.886   1.030  -1.604
  433    HD2  TYR  51          2HD       TYR  51   5.995   1.464   0.083
  434    HE1  TYR  51          1HE       TYR  51  10.895   1.240   0.649
  435    HE2  TYR  51          2HE       TYR  51   6.984   1.676   2.338
  436    HH   TYR  51           HH       TYR  51   8.900   1.712   3.569
  437    H    VAL  52           H        VAL  52   4.366  -0.904  -3.072
  438    HA   VAL  52           HA       VAL  52   4.549  -0.067  -5.882
  439    HB   VAL  52           HB       VAL  52   2.835  -2.307  -4.707
  440   HG11  VAL  52          1HG1      VAL  52   2.169  -2.709  -7.054
  441   HG12  VAL  52          2HG1      VAL  52   1.701  -1.075  -6.527
  442   HG13  VAL  52          3HG1      VAL  52   3.129  -1.301  -7.567
  443   HG21  VAL  52          1HG2      VAL  52   4.167  -3.803  -6.108
  444   HG22  VAL  52          2HG2      VAL  52   5.198  -2.433  -6.587
  445   HG23  VAL  52          3HG2      VAL  52   5.159  -2.967  -4.889
  446    H    CYS  53           H        CYS  53   3.078   1.464  -6.512
  447    HA   CYS  53           HA       CYS  53   0.923   2.006  -4.603
  448    HB2  CYS  53          1HB       CYS  53   2.290   4.079  -6.316
  449    HB3  CYS  53          2HB       CYS  53   1.090   4.350  -5.067
  450    H    CYS  54           H        CYS  54  -1.057   2.958  -5.686
  451    HA   CYS  54           HA       CYS  54  -1.121   2.899  -8.543
  452    HB2  CYS  54          1HB       CYS  54  -3.115   1.329  -8.571
  453    HB3  CYS  54          2HB       CYS  54  -1.521   0.618  -8.419
  454    H    ASN  55           H        ASN  55  -3.241   3.886  -9.308
  455    HA   ASN  55           HA       ASN  55  -3.710   5.892  -7.260
  456    HB2  ASN  55          1HB       ASN  55  -3.803   7.579  -9.160
  457    HB3  ASN  55          2HB       ASN  55  -2.488   6.385  -9.033
  458   HD21  ASN  55          1HD2      ASN  55  -3.663   6.788 -12.567
  459   HD22  ASN  55          2HD2      ASN  55  -3.187   7.902 -11.329
  460    H    THR  56           H        THR  56  -5.295   3.377  -7.527
  461    HA   THR  56           HA       THR  56  -7.898   4.676  -7.897
  462    HB   THR  56           HB       THR  56  -8.770   2.508  -8.820
  463    HG1  THR  56          1HG       THR  56  -7.165   1.003  -9.578
  464   HG21  THR  56          1HG2      THR  56  -7.819   2.746 -11.087
  465   HG22  THR  56          2HG2      THR  56  -8.153   4.338 -10.362
  466   HG23  THR  56          3HG2      THR  56  -6.486   3.721 -10.427
  467    H    ASP  57           H        ASP  57  -9.673   3.083  -6.934
  468    HA   ASP  57           HA       ASP  57  -8.828   3.075  -4.217
  469    HB2  ASP  57          1HB       ASP  57 -11.595   2.587  -5.462
  470    HB3  ASP  57          2HB       ASP  57 -11.103   2.556  -3.751
  471    HD2  ASP  57           HD       ASP  57 -11.782   6.038  -5.349
  472    H    ARG  58           H        ARG  58  -8.642   1.198  -2.874
  473    HA   ARG  58           HA       ARG  58  -8.391  -0.885  -2.343
  474    HB2  ARG  58          1HB       ARG  58 -10.808  -1.307  -4.052
  475    HB3  ARG  58          2HB       ARG  58 -10.142  -2.473  -2.885
  476    HG2  ARG  58          1HG       ARG  58 -10.452  -0.653  -1.121
  477    HG3  ARG  58          2HG       ARG  58 -11.422   0.212  -2.337
  478    HD2  ARG  58          1HD       ARG  58 -12.868  -0.952  -0.879
  479    HD3  ARG  58          2HD       ARG  58 -12.898  -1.746  -2.471
  480    HE   ARG  58           HE       ARG  58 -11.124  -3.175  -0.597
  481   HH11  ARG  58          1HH       ARG  58 -14.884  -4.307  -0.921
  482   HH21  ARG  58          1HH2      ARG  58 -11.529  -5.015   0.093
  483   HH22  ARG  58          2HH2      ARG  58 -13.159  -5.653   0.008
  484    H    CYS  59           H        CYS  59  -6.799   0.008  -4.598
  485    HA   CYS  59           HA       CYS  59  -6.934  -2.101  -6.558
  486    HB2  CYS  59          1HB       CYS  59  -5.104  -0.872  -7.655
  487    HB3  CYS  59          2HB       CYS  59  -6.545   0.092  -7.402
  488    H    ASN  60           H        ASN  60  -5.148  -1.111  -3.654
  489    HA   ASN  60           HA       ASN  60  -3.070  -3.030  -4.213
  490    HB2  ASN  60          1HB       ASN  60  -1.950  -2.068  -2.235
  491    HB3  ASN  60          2HB       ASN  60  -2.497  -0.765  -3.272
  492   HD21  ASN  60          1HD2      ASN  60  -1.998   0.017  -0.873
  493   HD22  ASN  60          2HD2      ASN  60  -3.405   0.260   0.108
  Start of MODEL    3
    1    H1   MET   0          1H        MET   0 -11.599  12.664  -0.064
    2    H2   MET   0          2H        MET   0 -10.141  12.523  -0.387
    3    H    MET   0           H        MET   0 -11.165  11.578  -1.053
    4    H3   MET   0          3H        MET   0 -11.151  11.661  -1.085
    5    HA   MET   0           HA       MET   0  -9.754  11.012   1.239
    6    HB2  MET   0          1HB       MET   0 -12.740  11.319   1.607
    7    HB3  MET   0          2HB       MET   0 -11.704  10.393   2.720
    8    HG2  MET   0          1HG       MET   0 -10.453  12.392   3.285
    9    HG3  MET   0          2HG       MET   0 -11.364  13.339   2.085
   10    HE1  MET   0          1HE       MET   0 -13.009  11.756   6.112
   11    HE2  MET   0          2HE       MET   0 -12.454  10.662   4.821
   12    HE3  MET   0          3HE       MET   0 -11.296  11.748   5.628
   13    H    LEU   1           H        LEU   1  -9.089   9.355  -0.286
   14    HA   LEU   1           HA       LEU   1 -11.145   7.795  -1.542
   15    HB2  LEU   1          1HB       LEU   1  -8.193   7.725  -1.444
   16    HB3  LEU   1          2HB       LEU   1  -9.048   6.622  -2.545
   17    HG   LEU   1           HG       LEU   1  -8.948   9.659  -2.676
   18   HD11  LEU   1          1HD1      LEU   1  -7.893   9.230  -4.912
   19   HD12  LEU   1          2HD1      LEU   1  -6.950   8.486  -3.599
   20   HD13  LEU   1          3HD1      LEU   1  -8.011   7.480  -4.615
   21   HD21  LEU   1          1HD2      LEU   1 -10.367   9.465  -4.688
   22   HD22  LEU   1          2HD2      LEU   1 -10.535   7.719  -4.379
   23   HD23  LEU   1          3HD2      LEU   1 -11.185   8.895  -3.213
   24    H    LYS   2           H        LYS   2 -10.304   5.235  -1.659
   25    HA   LYS   2           HA       LYS   2 -10.041   4.430   1.154
   26    HB2  LYS   2          1HB       LYS   2 -11.705   3.126  -1.022
   27    HB3  LYS   2          2HB       LYS   2 -11.516   2.541   0.649
   28    HG2  LYS   2          1HG       LYS   2 -12.652   4.537   1.497
   29    HG3  LYS   2          2HG       LYS   2 -12.801   5.172  -0.158
   30    HD2  LYS   2          1HD       LYS   2 -14.206   3.270  -0.786
   31    HD3  LYS   2          2HD       LYS   2 -14.019   2.576   0.842
   32    HE2  LYS   2          1HE       LYS   2 -15.039   4.703   1.750
   33    HE3  LYS   2          2HE       LYS   2 -15.417   5.151   0.070
   34    HZ1  LYS   2          1HZ       LYS   2 -17.278   4.079   1.145
   35    HZ2  LYS   2          2HZ       LYS   2 -16.730   3.146  -0.102
   36    H    CYS   3           H        CYS   3  -8.294   3.168   1.533
   37    HA   CYS   3           HA       CYS   3  -7.331   1.590  -0.745
   38    HB2  CYS   3          1HB       CYS   3  -5.710   2.736   1.536
   39    HB3  CYS   3          2HB       CYS   3  -5.094   1.677   0.283
   40    H    ASN   4           H        ASN   4  -6.053  -0.453   0.179
   41    HA   ASN   4           HA       ASN   4  -8.119  -1.650   1.806
   42    HB2  ASN   4          1HB       ASN   4  -6.139  -3.078  -0.111
   43    HB3  ASN   4          2HB       ASN   4  -7.227  -3.625   1.187
   44   HD21  ASN   4          1HD2      ASN   4  -8.719  -3.418  -2.370
   45   HD22  ASN   4          2HD2      ASN   4  -7.099  -3.794  -1.884
   46    H    LYS   5           H        LYS   5  -7.602  -2.783   3.776
   47    HA   LYS   5           HA       LYS   5  -5.016  -2.300   4.908
   48    HB2  LYS   5          1HB       LYS   5  -7.385  -3.968   5.802
   49    HB3  LYS   5          2HB       LYS   5  -5.928  -3.667   6.778
   50    HG2  LYS   5          1HG       LYS   5  -6.425  -1.289   6.863
   51    HG3  LYS   5          2HG       LYS   5  -7.817  -1.511   5.776
   52    HD2  LYS   5          1HD       LYS   5  -8.643  -1.336   8.036
   53    HD3  LYS   5          2HD       LYS   5  -8.842  -3.018   7.488
   54    HE2  LYS   5          1HE       LYS   5  -6.801  -3.662   8.676
   55    HE3  LYS   5          2HE       LYS   5  -6.561  -1.979   9.198
   56    HZ1  LYS   5          1HZ       LYS   5  -7.584  -3.306  10.918
   57    HZ2  LYS   5          2HZ       LYS   5  -8.627  -2.131  10.417
   58    H    LEU   6           H        LEU   6  -3.986  -4.382   6.082
   59    HA   LEU   6           HA       LEU   6  -3.073  -6.195   4.237
   60    HB2  LEU   6          1HB       LEU   6  -2.082  -5.802   6.424
   61    HB3  LEU   6          2HB       LEU   6  -3.473  -6.513   7.214
   62    HG   LEU   6           HG       LEU   6  -2.950  -8.694   6.159
   63   HD11  LEU   6          1HD1      LEU   6  -0.442  -8.748   5.291
   64   HD12  LEU   6          2HD1      LEU   6  -1.812  -8.409   4.205
   65   HD13  LEU   6          3HD1      LEU   6  -0.825  -7.070   4.839
   66   HD21  LEU   6          1HD2      LEU   6  -0.460  -7.771   7.565
   67   HD22  LEU   6          2HD2      LEU   6  -2.020  -7.816   8.420
   68   HD23  LEU   6          3HD2      LEU   6  -1.350  -9.306   7.715
   69    H    VAL   7           H        VAL   7  -6.037  -6.297   6.289
   70    HA   VAL   7           HA       VAL   7  -6.927  -8.720   5.039
   71    HB   VAL   7           HB       VAL   7  -8.394  -6.611   6.692
   72   HG11  VAL   7          1HG1      VAL   7 -10.158  -8.326   6.929
   73   HG12  VAL   7          2HG1      VAL   7  -9.936  -7.868   5.224
   74   HG13  VAL   7          3HG1      VAL   7  -9.262  -9.400   5.829
   75   HG21  VAL   7          1HG2      VAL   7  -8.259  -8.248   8.501
   76   HG22  VAL   7          2HG2      VAL   7  -7.294  -9.319   7.457
   77   HG23  VAL   7          3HG2      VAL   7  -6.650  -7.733   7.944
   78    HA   PRO   8           HA       PRO   8  -7.894  -6.577   1.469
   79    HB2  PRO   8          1HB       PRO   8  -8.591  -8.659  -0.158
   80    HB3  PRO   8          2HB       PRO   8  -6.907  -8.401   0.317
   81    HG2  PRO   8          1HG       PRO   8  -8.982 -10.235   1.564
   82    HG3  PRO   8          2HG       PRO   8  -7.291 -10.575   1.171
   83    HD2  PRO   8          1HD       PRO   8  -8.043  -9.947   3.723
   84    HD3  PRO   8          2HD       PRO   8  -6.476  -9.430   3.089
   85    H    ILE   9           H        ILE   9 -10.193  -7.936   3.411
   86    HA   ILE   9           HA       ILE   9 -12.311  -6.926   1.649
   87    HB   ILE   9           HB       ILE   9 -13.847  -8.284   3.095
   88   HG12  ILE   9          1HG1      ILE   9 -11.352  -9.417   4.323
   89   HG13  ILE   9          2HG1      ILE   9 -12.340  -8.141   5.073
   90   HG21  ILE   9          1HG2      ILE   9 -13.137 -10.508   2.284
   91   HG22  ILE   9          2HG2      ILE   9 -12.930  -9.272   1.023
   92   HG23  ILE   9          3HG2      ILE   9 -11.518  -9.863   1.928
   93   HD11  ILE   9          1HD1      ILE   9 -12.906 -10.356   5.989
   94   HD12  ILE   9          2HD1      ILE   9 -14.281  -9.658   5.100
   95   HD13  ILE   9          3HD1      ILE   9 -13.293 -10.935   4.352
   96    H    ALA  10           H        ALA  10 -10.358  -5.469   3.537
   97    HA   ALA  10           HA       ALA  10 -12.485  -3.877   4.725
   98    HB1  ALA  10          1HB       ALA  10 -10.010  -4.628   6.315
   99    HB2  ALA  10          2HB       ALA  10 -11.483  -3.809   6.887
  100    HB3  ALA  10          3HB       ALA  10 -11.537  -5.532   6.441
  101    H    TYR  11           H        TYR  11 -12.132  -1.709   4.409
  102    HA   TYR  11           HA       TYR  11  -9.469  -0.992   3.386
  103    HB2  TYR  11          1HB       TYR  11 -10.593   0.776   2.149
  104    HB3  TYR  11          2HB       TYR  11 -11.154  -0.850   1.686
  105    HD1  TYR  11          1HD       TYR  11 -12.078   2.278   3.428
  106    HD2  TYR  11          2HD       TYR  11 -13.436  -1.533   2.084
  107    HE1  TYR  11          1HE       TYR  11 -14.418   2.970   3.856
  108    HE2  TYR  11          2HE       TYR  11 -15.777  -0.860   2.506
  109    HH   TYR  11           HH       TYR  11 -17.148   0.738   3.438
  110    H    LYS  12           H        LYS  12  -8.675   1.182   3.933
  111    HA   LYS  12           HA       LYS  12 -10.154   2.414   6.154
  112    HB2  LYS  12          1HB       LYS  12  -7.196   2.426   5.489
  113    HB3  LYS  12          2HB       LYS  12  -7.949   3.463   6.724
  114    HG2  LYS  12          1HG       LYS  12  -8.541   1.561   8.067
  115    HG3  LYS  12          2HG       LYS  12  -8.055   0.433   6.779
  116    HD2  LYS  12          1HD       LYS  12  -6.265   0.402   8.323
  117    HD3  LYS  12          2HD       LYS  12  -5.715   1.443   6.988
  118    HE2  LYS  12          1HE       LYS  12  -6.232   3.436   8.248
  119    HE3  LYS  12          2HE       LYS  12  -6.981   2.473   9.542
  120    HZ1  LYS  12          1HZ       LYS  12  -4.752   3.157  10.119
  121    HZ2  LYS  12          2HZ       LYS  12  -4.824   1.515   9.989
  122    H    THR  13           H        THR  13 -10.378   4.723   6.111
  123    HA   THR  13           HA       THR  13 -10.405   5.813   3.444
  124    HB   THR  13           HB       THR  13 -10.983   7.091   6.163
  125    HG1  THR  13          1HG       THR  13 -13.184   6.740   5.498
  126   HG21  THR  13          1HG2      THR  13 -12.167   8.808   4.839
  127   HG22  THR  13          2HG2      THR  13 -10.443   8.739   4.402
  128   HG23  THR  13          3HG2      THR  13 -11.661   8.000   3.337
  129    H    CYS  14           H        CYS  14  -8.975   7.152   2.485
  130    HA   CYS  14           HA       CYS  14  -6.406   7.213   3.651
  131    HB2  CYS  14          1HB       CYS  14  -7.885   8.461   1.225
  132    HB3  CYS  14          2HB       CYS  14  -6.120   8.603   1.407
  133    HA   PRO  15           HA       PRO  15  -6.671  11.197   5.531
  134    HB2  PRO  15          1HB       PRO  15  -4.066  11.917   5.726
  135    HB3  PRO  15          2HB       PRO  15  -4.704  10.631   6.760
  136    HG2  PRO  15          1HG       PRO  15  -3.217  10.396   4.121
  137    HG3  PRO  15          2HG       PRO  15  -2.967   9.491   5.620
  138    HD2  PRO  15          1HD       PRO  15  -4.431   8.458   3.530
  139    HD3  PRO  15          2HD       PRO  15  -4.798   8.047   5.210
  140    H    GLU  16           H        GLU  16  -6.549  13.476   5.141
  141    HA   GLU  16           HA       GLU  16  -6.990  14.042   2.489
  142    HB2  GLU  16          1HB       GLU  16  -7.760  15.408   4.366
  143    HB3  GLU  16          2HB       GLU  16  -6.078  15.845   4.753
  144    HG2  GLU  16          1HG       GLU  16  -5.935  17.087   2.541
  145    HG3  GLU  16          2HG       GLU  16  -7.594  16.512   2.265
  146    HE2  GLU  16           HE       GLU  16  -7.773  19.822   3.757
  147    H    GLY  17           H        GLY  17  -5.698  14.683   0.767
  148    HA2  GLY  17          1HA       GLY  17  -3.790  15.710  -0.130
  149    HA3  GLY  17          2HA       GLY  17  -2.889  15.341   1.327
  150    H    LYS  18           H        LYS  18  -4.122  12.513   1.369
  151    HA   LYS  18           HA       LYS  18  -2.245  11.356  -0.516
  152    HB2  LYS  18          1HB       LYS  18  -4.010  10.238   1.680
  153    HB3  LYS  18          2HB       LYS  18  -3.015   9.223   0.608
  154    HG2  LYS  18          1HG       LYS  18  -1.992   9.687   2.861
  155    HG3  LYS  18          2HG       LYS  18  -0.985  10.156   1.470
  156    HD2  LYS  18          1HD       LYS  18  -1.643  12.481   1.719
  157    HD3  LYS  18          2HD       LYS  18  -2.783  12.053   3.016
  158    HE2  LYS  18          1HE       LYS  18  -0.929  11.296   4.421
  159    HE3  LYS  18          2HE       LYS  18   0.225  11.668   3.120
  160    HZ1  LYS  18          1HZ       LYS  18   0.139  13.420   4.759
  161    HZ2  LYS  18          2HZ       LYS  18  -0.409  13.978   3.307
  162    H    ASN  19           H        ASN  19  -2.941   9.564  -1.969
  163    HA   ASN  19           HA       ASN  19  -5.669   9.795  -2.814
  164    HB2  ASN  19          1HB       ASN  19  -4.527  11.895  -3.942
  165    HB3  ASN  19          2HB       ASN  19  -3.459  10.562  -4.447
  166   HD21  ASN  19          1HD2      ASN  19  -6.845  11.443  -6.465
  167   HD22  ASN  19          2HD2      ASN  19  -6.340  12.306  -5.050
  168    H    LEU  20           H        LEU  20  -2.341   8.565  -3.009
  169    HA   LEU  20           HA       LEU  20  -3.108   6.476  -4.882
  170    HB2  LEU  20          1HB       LEU  20  -0.588   7.014  -3.436
  171    HB3  LEU  20          2HB       LEU  20  -0.654   5.946  -4.857
  172    HG   LEU  20           HG       LEU  20  -0.914   8.970  -4.756
  173   HD11  LEU  20          1HD1      LEU  20   0.985   8.861  -6.393
  174   HD12  LEU  20          2HD1      LEU  20   1.398   8.043  -4.868
  175   HD13  LEU  20          3HD1      LEU  20   0.944   7.084  -6.297
  176   HD21  LEU  20          1HD2      LEU  20  -1.383   8.900  -7.181
  177   HD22  LEU  20          2HD2      LEU  20  -1.473   7.124  -7.095
  178   HD23  LEU  20          3HD2      LEU  20  -2.656   8.120  -6.213
  179    H    CYS  21           H        CYS  21  -2.844   4.198  -4.368
  180    HA   CYS  21           HA       CYS  21  -2.850   3.703  -1.482
  181    HB2  CYS  21          1HB       CYS  21  -3.942   2.007  -3.734
  182    HB3  CYS  21          2HB       CYS  21  -3.903   1.533  -2.049
  183    H    TYR  22           H        TYR  22  -1.227   2.354  -0.634
  184    HA   TYR  22           HA       TYR  22   0.754   1.424  -2.603
  185    HB2  TYR  22          1HB       TYR  22   2.483   2.113  -1.222
  186    HB3  TYR  22          2HB       TYR  22   1.329   3.469  -1.234
  187    HD1  TYR  22          1HD       TYR  22   2.716   0.707   0.797
  188    HD2  TYR  22          2HD       TYR  22   0.168   4.125   0.778
  189    HE1  TYR  22          1HE       TYR  22   2.633   0.649   3.272
  190    HE2  TYR  22          2HE       TYR  22   0.074   4.082   3.248
  191    HH   TYR  22           HH       TYR  22   0.759   3.034   5.150
  192    H    LYS  23           H        LYS  23   1.821  -0.570  -2.167
  193    HA   LYS  23           HA       LYS  23   1.051  -1.875   0.339
  194    HB2  LYS  23          1HB       LYS  23   0.979  -4.024  -0.857
  195    HB3  LYS  23          2HB       LYS  23  -0.292  -2.899  -1.391
  196    HG2  LYS  23          1HG       LYS  23   0.950  -2.388  -3.416
  197    HG3  LYS  23          2HG       LYS  23   2.317  -3.387  -2.866
  198    HD2  LYS  23          1HD       LYS  23   0.811  -4.491  -4.563
  199    HD3  LYS  23          2HD       LYS  23   1.031  -5.396  -3.047
  200    HE2  LYS  23          1HE       LYS  23  -1.107  -4.593  -2.213
  201    HE3  LYS  23          2HE       LYS  23  -1.318  -3.578  -3.658
  202    HZ1  LYS  23          1HZ       LYS  23  -2.560  -5.627  -3.822
  203    HZ2  LYS  23          2HZ       LYS  23  -1.385  -5.584  -4.979
  204    H    MET  24           H        MET  24   2.714  -3.048   1.340
  205    HA   MET  24           HA       MET  24   5.305  -2.533   0.102
  206    HB2  MET  24          1HB       MET  24   4.484  -2.837   3.000
  207    HB3  MET  24          2HB       MET  24   6.165  -2.651   2.442
  208    HG2  MET  24          1HG       MET  24   5.456  -0.455   1.405
  209    HG3  MET  24          2HG       MET  24   3.910  -0.636   2.267
  210    HE1  MET  24          1HE       MET  24   4.942  -0.405   6.010
  211    HE2  MET  24          2HE       MET  24   3.599  -0.428   4.841
  212    HE3  MET  24          3HE       MET  24   4.641  -1.860   5.030
  213    H    PHE  25           H        PHE  25   6.777  -4.223  -0.176
  214    HA   PHE  25           HA       PHE  25   5.900  -6.831   0.842
  215    HB2  PHE  25          1HB       PHE  25   7.718  -5.991  -1.496
  216    HB3  PHE  25          2HB       PHE  25   7.366  -7.659  -1.083
  217    HD1  PHE  25          1HD       PHE  25   5.850  -4.521  -2.286
  218    HD2  PHE  25          2HD       PHE  25   5.388  -8.709  -1.843
  219    HE1  PHE  25          1HE       PHE  25   3.824  -4.456  -3.785
  220    HE2  PHE  25          2HE       PHE  25   3.367  -8.650  -3.332
  221    HZ   PHE  25           HZ       PHE  25   2.609  -6.525  -4.285
  222    H    MET  26           H        MET  26   7.752  -8.371   1.389
  223    HA   MET  26           HA       MET  26  10.196  -6.882   1.973
  224    HB2  MET  26          1HB       MET  26   9.054  -9.361   3.278
  225    HB3  MET  26          2HB       MET  26  10.669  -8.695   3.621
  226    HG2  MET  26          1HG       MET  26   9.655  -6.632   4.460
  227    HG3  MET  26          2HG       MET  26   8.034  -7.262   4.083
  228    HE1  MET  26          1HE       MET  26   8.107  -7.313   8.026
  229    HE2  MET  26          2HE       MET  26   8.864  -6.107   6.958
  230    HE3  MET  26          3HE       MET  26   7.243  -6.741   6.579
  231    H    MET  27           H        MET  27  12.224  -7.864   1.376
  232    HA   MET  27           HA       MET  27  12.186  -8.903  -1.109
  233    HB2  MET  27          1HB       MET  27  14.208  -9.044   1.120
  234    HB3  MET  27          2HB       MET  27  14.559  -9.704  -0.496
  235    HG2  MET  27          1HG       MET  27  13.851  -6.825   0.149
  236    HG3  MET  27          2HG       MET  27  15.477  -7.442  -0.228
  237    HE1  MET  27          1HE       MET  27  15.194  -8.426  -3.988
  238    HE2  MET  27          2HE       MET  27  16.279  -8.195  -2.594
  239    HE3  MET  27          3HE       MET  27  15.040  -9.474  -2.557
  240    H    SER  28           H        SER  28  11.927 -10.635   1.991
  241    HA   SER  28           HA       SER  28  12.266 -13.197   1.015
  242    HB2  SER  28          1HB       SER  28  12.136 -12.673   3.382
  243    HB3  SER  28          2HB       SER  28  10.456 -12.120   3.198
  244    HG   SER  28           HG       SER  28  10.607 -14.256   4.015
  245    H    ASP  29           H        ASP  29   9.060 -11.688   1.853
  246    HA   ASP  29           HA       ASP  29   7.868 -13.520  -0.014
  247    HB2  ASP  29          1HB       ASP  29   6.936 -13.206   2.358
  248    HB3  ASP  29          2HB       ASP  29   6.660 -11.536   1.804
  249    HD2  ASP  29           HD       ASP  29   3.594 -13.485   1.296
  250    H    LEU  30           H        LEU  30   8.577 -12.438  -2.030
  251    HA   LEU  30           HA       LEU  30   7.730  -9.742  -2.509
  252    HB2  LEU  30          1HB       LEU  30   9.050 -11.947  -3.837
  253    HB3  LEU  30          2HB       LEU  30   8.327 -10.811  -5.001
  254    HG   LEU  30           HG       LEU  30   9.991  -9.325  -4.728
  255   HD11  LEU  30          1HD1      LEU  30  10.790  -8.574  -2.471
  256   HD12  LEU  30          2HD1      LEU  30   9.014  -8.611  -2.548
  257   HD13  LEU  30          3HD1      LEU  30   9.896  -9.919  -1.725
  258   HD21  LEU  30          1HD2      LEU  30  12.127 -10.183  -3.832
  259   HD22  LEU  30          2HD2      LEU  30  11.254 -11.561  -3.118
  260   HD23  LEU  30          3HD2      LEU  30  11.302 -11.357  -4.885
  261    H    THR  31           H        THR  31   6.260 -12.874  -2.508
  262    HA   THR  31           HA       THR  31   4.577 -12.475  -4.779
  263    HB   THR  31           HB       THR  31   4.395 -14.435  -2.438
  264    HG1  THR  31          1HG       THR  31   5.348 -15.870  -4.001
  265   HG21  THR  31          1HG2      THR  31   2.955 -15.756  -3.948
  266   HG22  THR  31          2HG2      THR  31   2.245 -14.156  -3.623
  267   HG23  THR  31          3HG2      THR  31   3.059 -14.470  -5.173
  268    H    ILE  32           H        ILE  32   4.199 -12.113  -1.216
  269    HA   ILE  32           HA       ILE  32   1.603 -10.867  -1.785
  270    HB   ILE  32           HB       ILE  32   2.360 -12.778   0.474
  271   HG12  ILE  32          1HG1      ILE  32   1.760 -13.838  -1.606
  272   HG13  ILE  32          2HG1      ILE  32   0.567 -14.136  -0.320
  273   HG21  ILE  32          1HG2      ILE  32   0.088 -12.366   1.357
  274   HG22  ILE  32          2HG2      ILE  32   1.056 -10.873   1.359
  275   HG23  ILE  32          3HG2      ILE  32  -0.176 -11.132   0.102
  276   HD11  ILE  32          1HD1      ILE  32  -0.540 -13.725  -2.483
  277   HD12  ILE  32          2HD1      ILE  32  -0.925 -12.442  -1.310
  278   HD13  ILE  32          3HD1      ILE  32   0.268 -12.145  -2.597
  279    HA   PRO  33           HA       PRO  33   3.500  -7.607   0.400
  280    HB2  PRO  33          1HB       PRO  33   1.464  -5.800   0.355
  281    HB3  PRO  33          2HB       PRO  33   2.416  -6.110  -1.102
  282    HG2  PRO  33          1HG       PRO  33  -0.247  -7.311  -0.273
  283    HG3  PRO  33          2HG       PRO  33   0.242  -6.676  -1.850
  284    HD2  PRO  33          1HD       PRO  33   0.270  -9.367  -1.326
  285    HD3  PRO  33          2HD       PRO  33   1.458  -8.634  -2.412
  286    H    VAL  34           H        VAL  34   3.276  -6.315   2.429
  287    HA   VAL  34           HA       VAL  34   2.125  -8.303   4.261
  288    HB   VAL  34           HB       VAL  34   3.969  -7.723   5.797
  289   HG11  VAL  34          1HG1      VAL  34   5.864  -8.624   4.489
  290   HG12  VAL  34          2HG1      VAL  34   4.364  -9.517   4.141
  291   HG13  VAL  34          3HG1      VAL  34   4.973  -8.311   2.981
  292   HG21  VAL  34          1HG2      VAL  34   5.781  -6.237   5.106
  293   HG22  VAL  34          2HG2      VAL  34   4.886  -5.839   3.621
  294   HG23  VAL  34          3HG2      VAL  34   4.222  -5.386   5.209
  295    H    LYS  35           H        LYS  35   2.336  -4.931   3.292
  296    HA   LYS  35           HA       LYS  35   0.285  -4.322   5.238
  297    HB2  LYS  35          1HB       LYS  35   2.991  -2.981   5.109
  298    HB3  LYS  35          2HB       LYS  35   1.554  -2.149   5.749
  299    HG2  LYS  35          1HG       LYS  35   1.335  -4.167   7.341
  300    HG3  LYS  35          2HG       LYS  35   3.007  -4.552   6.868
  301    HD2  LYS  35          1HD       LYS  35   3.270  -3.263   8.809
  302    HD3  LYS  35          2HD       LYS  35   3.534  -2.101   7.486
  303    HE2  LYS  35          1HE       LYS  35   1.300  -1.237   7.708
  304    HE3  LYS  35          2HE       LYS  35   0.870  -2.513   8.869
  305    HZ1  LYS  35          1HZ       LYS  35   1.349  -0.433   9.970
  306    HZ2  LYS  35          2HZ       LYS  35   2.465  -1.570  10.399
  307    H    ARG  36           H        ARG  36  -1.064  -2.594   4.570
  308    HA   ARG  36           HA       ARG  36  -0.308  -1.325   2.092
  309    HB2  ARG  36          1HB       ARG  36  -2.886  -2.922   2.497
  310    HB3  ARG  36          2HB       ARG  36  -2.647  -1.807   1.166
  311    HG2  ARG  36          1HG       ARG  36  -1.824  -3.633   0.062
  312    HG3  ARG  36          2HG       ARG  36  -0.354  -3.309   0.957
  313    HD2  ARG  36          1HD       ARG  36  -0.941  -5.671   1.239
  314    HD3  ARG  36          2HD       ARG  36  -1.135  -4.857   2.779
  315    HE   ARG  36           HE       ARG  36  -3.497  -5.072   2.605
  316   HH11  ARG  36          1HH       ARG  36  -5.362  -6.910   0.290
  317   HH21  ARG  36          1HH2      ARG  36  -3.316  -6.959  -0.959
  318   HH22  ARG  36          2HH2      ARG  36  -1.902  -6.180  -0.331
  319    H    GLY  37           H        GLY  37  -1.491   0.701   1.716
  320    HA2  GLY  37          1HA       GLY  37  -3.515   1.614   3.487
  321    HA3  GLY  37          2HA       GLY  37  -1.944   2.199   3.997
  322    H    CYS  38           H        CYS  38  -2.930   4.368   3.469
  323    HA   CYS  38           HA       CYS  38  -3.026   4.858   0.597
  324    HB2  CYS  38          1HB       CYS  38  -3.846   6.696   2.849
  325    HB3  CYS  38          2HB       CYS  38  -4.122   6.944   1.136
  326    H    ILE  39           H        ILE  39  -1.756   6.692  -0.278
  327    HA   ILE  39           HA       ILE  39  -0.126   8.196   1.513
  328    HB   ILE  39           HB       ILE  39   1.269   6.093   1.126
  329   HG12  ILE  39          1HG1      ILE  39   2.579   8.455  -0.149
  330   HG13  ILE  39          2HG1      ILE  39   2.079   8.485   1.558
  331   HG21  ILE  39          1HG2      ILE  39   2.316   5.836  -1.099
  332   HG22  ILE  39          2HG2      ILE  39   0.550   5.659  -1.200
  333   HG23  ILE  39          3HG2      ILE  39   1.323   7.175  -1.722
  334   HD11  ILE  39          1HD1      ILE  39   4.449   7.849   1.337
  335   HD12  ILE  39          2HD1      ILE  39   3.484   6.510   2.004
  336   HD13  ILE  39          3HD1      ILE  39   3.986   6.482   0.297
  337    H    ASP  40           H        ASP  40   1.036   9.961   0.314
  338    HA   ASP  40           HA       ASP  40  -0.675  10.764  -1.846
  339    HB2  ASP  40          1HB       ASP  40   0.518  13.017  -1.534
  340    HB3  ASP  40          2HB       ASP  40  -0.375  12.248  -0.199
  341    HD2  ASP  40           HD       ASP  40   2.997  13.373   0.893
  342    H    VAL  41           H        VAL  41   2.869  10.369  -1.098
  343    HA   VAL  41           HA       VAL  41   3.367  10.328  -3.995
  344    HB   VAL  41           HB       VAL  41   5.209  11.190  -1.715
  345   HG11  VAL  41          1HG1      VAL  41   6.774  11.824  -3.519
  346   HG12  VAL  41          2HG1      VAL  41   6.430  10.078  -3.554
  347   HG13  VAL  41          3HG1      VAL  41   5.649  11.163  -4.728
  348   HG21  VAL  41          1HG2      VAL  41   5.072  13.416  -2.713
  349   HG22  VAL  41          2HG2      VAL  41   3.884  12.812  -3.894
  350   HG23  VAL  41          3HG2      VAL  41   3.485  12.834  -2.159
  351    H    CYS  42           H        CYS  42   4.134   8.448  -4.822
  352    HA   CYS  42           HA       CYS  42   4.313   6.229  -3.094
  353    HB2  CYS  42          1HB       CYS  42   3.462   6.100  -5.391
  354    HB3  CYS  42          2HB       CYS  42   5.053   6.491  -6.018
  355    HA   PRO  43           HA       PRO  43   8.576   6.877  -2.200
  356    HB2  PRO  43          1HB       PRO  43   8.947   4.900  -0.369
  357    HB3  PRO  43          2HB       PRO  43   8.074   6.374   0.072
  358    HG2  PRO  43          1HG       PRO  43   6.967   3.693  -0.816
  359    HG3  PRO  43          2HG       PRO  43   6.420   4.742   0.500
  360    HD2  PRO  43          1HD       PRO  43   5.163   4.712  -1.950
  361    HD3  PRO  43          2HD       PRO  43   5.231   6.175  -0.959
  362    H    LYS  44           H        LYS  44  10.581   6.191  -2.893
  363    HA   LYS  44           HA       LYS  44  10.421   4.287  -4.980
  364    HB2  LYS  44          1HB       LYS  44  12.749   5.583  -3.535
  365    HB3  LYS  44          2HB       LYS  44  12.916   4.550  -4.976
  366    HG2  LYS  44          1HG       LYS  44  11.585   6.149  -6.286
  367    HG3  LYS  44          2HG       LYS  44  11.398   7.179  -4.846
  368    HD2  LYS  44          1HD       LYS  44  13.819   7.525  -4.752
  369    HD3  LYS  44          2HD       LYS  44  14.042   6.446  -6.150
  370    HE2  LYS  44          1HE       LYS  44  12.717   7.973  -7.546
  371    HE3  LYS  44          2HE       LYS  44  12.488   9.052  -6.150
  372    HZ1  LYS  44          1HZ       LYS  44  14.267   9.806  -7.574
  373    HZ2  LYS  44          2HZ       LYS  44  14.867   9.383  -6.096
  374    H    ASN  45           H        ASN  45  11.891   2.320  -5.101
  375    HA   ASN  45           HA       ASN  45  11.036   0.692  -2.977
  376    HB2  ASN  45          1HB       ASN  45  12.770  -0.163  -5.407
  377    HB3  ASN  45          2HB       ASN  45  12.108  -0.972  -3.966
  378   HD21  ASN  45          1HD2      ASN  45   9.891  -1.055  -7.095
  379   HD22  ASN  45          2HD2      ASN  45  11.614  -1.151  -6.944
  380    H    SER  46           H        SER  46  12.383  -0.433  -1.404
  381    HA   SER  46           HA       SER  46  15.062   0.693  -1.191
  382    HB2  SER  46          1HB       SER  46  14.920   0.216   1.188
  383    HB3  SER  46          2HB       SER  46  13.501   1.157   0.675
  384    HG   SER  46           HG       SER  46  12.321  -0.788   0.646
  385    H    LEU  47           H        LEU  47  16.476  -1.039   0.281
  386    HA   LEU  47           HA       LEU  47  16.742  -3.247  -1.517
  387    HB2  LEU  47          1HB       LEU  47  18.021  -2.415   1.012
  388    HB3  LEU  47          2HB       LEU  47  18.692  -3.797   0.117
  389    HG   LEU  47           HG       LEU  47  18.557  -0.910  -0.836
  390   HD11  LEU  47          1HD1      LEU  47  21.061  -1.041  -0.730
  391   HD12  LEU  47          2HD1      LEU  47  20.330  -1.329   0.866
  392   HD13  LEU  47          3HD1      LEU  47  20.932  -2.698  -0.099
  393   HD21  LEU  47          1HD2      LEU  47  19.832  -1.702  -2.798
  394   HD22  LEU  47          2HD2      LEU  47  19.673  -3.374  -2.205
  395   HD23  LEU  47          3HD2      LEU  47  18.224  -2.454  -2.675
  396    H    LEU  48           H        LEU  48  15.186  -2.610   1.572
  397    HA   LEU  48           HA       LEU  48  15.236  -5.443   2.253
  398    HB2  LEU  48          1HB       LEU  48  14.319  -2.971   3.589
  399    HB3  LEU  48          2HB       LEU  48  14.203  -4.525   4.446
  400    HG   LEU  48           HG       LEU  48  16.747  -3.105   3.568
  401   HD11  LEU  48          1HD1      LEU  48  17.193  -2.978   6.034
  402   HD12  LEU  48          2HD1      LEU  48  15.681  -2.144   5.608
  403   HD13  LEU  48          3HD1      LEU  48  15.627  -3.764   6.343
  404   HD21  LEU  48          1HD2      LEU  48  17.949  -4.944   4.697
  405   HD22  LEU  48          2HD2      LEU  48  16.394  -5.768   4.973
  406   HD23  LEU  48          3HD2      LEU  48  16.980  -5.504   3.313
  407    H    VAL  49           H        VAL  49  12.945  -2.710   1.649
  408    HA   VAL  49           HA       VAL  49  10.858  -4.747   1.284
  409    HB   VAL  49           HB       VAL  49   9.242  -2.999   2.122
  410   HG11  VAL  49          1HG1      VAL  49   9.794  -3.268   4.517
  411   HG12  VAL  49          2HG1      VAL  49  10.050  -4.787   3.626
  412   HG13  VAL  49          3HG1      VAL  49  11.442  -3.776   4.080
  413   HG21  VAL  49          1HG2      VAL  49  10.098  -1.095   3.390
  414   HG22  VAL  49          2HG2      VAL  49  11.758  -1.524   2.913
  415   HG23  VAL  49          3HG2      VAL  49  10.576  -1.026   1.678
  416    H    LYS  50           H        LYS  50   9.352  -4.351  -0.410
  417    HA   LYS  50           HA       LYS  50  10.301  -2.321  -2.301
  418    HB2  LYS  50          1HB       LYS  50  10.384  -4.614  -3.115
  419    HB3  LYS  50          2HB       LYS  50   8.677  -4.855  -2.669
  420    HG2  LYS  50          1HG       LYS  50   8.018  -3.152  -4.339
  421    HG3  LYS  50          2HG       LYS  50   9.724  -2.965  -4.805
  422    HD2  LYS  50          1HD       LYS  50   9.813  -5.315  -5.495
  423    HD3  LYS  50          2HD       LYS  50   8.121  -5.538  -4.987
  424    HE2  LYS  50          1HE       LYS  50   7.418  -3.842  -6.639
  425    HE3  LYS  50          2HE       LYS  50   9.109  -3.673  -7.167
  426    HZ1  LYS  50          1HZ       LYS  50   7.871  -5.148  -8.603
  427    HZ2  LYS  50          2HZ       LYS  50   9.066  -5.981  -7.828
  428    H    TYR  51           H        TYR  51   8.813  -0.881  -3.281
  429    HA   TYR  51           HA       TYR  51   6.260  -0.726  -1.823
  430    HB2  TYR  51          1HB       TYR  51   8.031   1.444  -2.951
  431    HB3  TYR  51          2HB       TYR  51   6.402   1.700  -2.279
  432    HD1  TYR  51          1HD       TYR  51   9.921   1.044  -1.496
  433    HD2  TYR  51          2HD       TYR  51   6.003   1.430   0.140
  434    HE1  TYR  51          1HE       TYR  51  10.897   1.251   0.772
  435    HE2  TYR  51          2HE       TYR  51   6.959   1.638   2.410
  436    HH   TYR  51           HH       TYR  51   8.858   1.686   3.666
  437    H    VAL  52           H        VAL  52   4.431  -0.915  -3.029
  438    HA   VAL  52           HA       VAL  52   4.631  -0.072  -5.835
  439    HB   VAL  52           HB       VAL  52   2.928  -2.334  -4.690
  440   HG11  VAL  52          1HG1      VAL  52   2.297  -2.735  -7.046
  441   HG12  VAL  52          2HG1      VAL  52   1.806  -1.108  -6.520
  442   HG13  VAL  52          3HG1      VAL  52   3.248  -1.316  -7.542
  443   HG21  VAL  52          1HG2      VAL  52   4.293  -3.812  -6.077
  444   HG22  VAL  52          2HG2      VAL  52   5.317  -2.430  -6.537
  445   HG23  VAL  52          3HG2      VAL  52   5.260  -2.971  -4.842
  446    H    CYS  53           H        CYS  53   3.169   1.469  -6.452
  447    HA   CYS  53           HA       CYS  53   0.990   1.974  -4.559
  448    HB2  CYS  53          1HB       CYS  53   2.328   4.066  -6.271
  449    HB3  CYS  53          2HB       CYS  53   1.138   4.318  -5.010
  450    H    CYS  54           H        CYS  54  -1.018   2.830  -5.623
  451    HA   CYS  54           HA       CYS  54  -1.057   2.772  -8.496
  452    HB2  CYS  54          1HB       CYS  54  -3.077   1.249  -8.506
  453    HB3  CYS  54          2HB       CYS  54  -1.506   0.499  -8.297
  454    H    ASN  55           H        ASN  55  -3.138   3.821  -9.290
  455    HA   ASN  55           HA       ASN  55  -3.487   5.894  -7.287
  456    HB2  ASN  55          1HB       ASN  55  -3.490   7.538  -9.224
  457    HB3  ASN  55          2HB       ASN  55  -2.252   6.265  -9.089
  458   HD21  ASN  55          1HD2      ASN  55  -3.459   6.668 -12.614
  459   HD22  ASN  55          2HD2      ASN  55  -2.901   7.779 -11.408
  460    H    THR  56           H        THR  56  -5.215   3.472  -7.473
  461    HA   THR  56           HA       THR  56  -7.745   4.890  -7.895
  462    HB   THR  56           HB       THR  56  -8.723   2.762  -8.791
  463    HG1  THR  56          1HG       THR  56  -7.199   1.150  -9.497
  464   HG21  THR  56          1HG2      THR  56  -7.731   2.895 -11.050
  465   HG22  THR  56          2HG2      THR  56  -7.981   4.519 -10.363
  466   HG23  THR  56          3HG2      THR  56  -6.351   3.805 -10.390
  467    H    ASP  57           H        ASP  57  -9.603   3.376  -6.934
  468    HA   ASP  57           HA       ASP  57  -8.834   3.390  -4.204
  469    HB2  ASP  57          1HB       ASP  57 -11.533   2.923  -5.584
  470    HB3  ASP  57          2HB       ASP  57 -11.148   2.741  -3.855
  471    HD2  ASP  57           HD       ASP  57 -11.710   6.358  -5.197
  472    H    ARG  58           H        ARG  58  -8.583   1.541  -2.843
  473    HA   ARG  58           HA       ARG  58  -8.390  -0.530  -2.241
  474    HB2  ARG  58          1HB       ARG  58 -10.856  -0.913  -3.892
  475    HB3  ARG  58          2HB       ARG  58 -10.213  -2.069  -2.703
  476    HG2  ARG  58          1HG       ARG  58 -10.414  -0.186  -0.991
  477    HG3  ARG  58          2HG       ARG  58 -11.377   0.679  -2.214
  478    HD2  ARG  58          1HD       ARG  58 -12.812  -0.403  -0.658
  479    HD3  ARG  58          2HD       ARG  58 -12.946  -1.190  -2.249
  480    HE   ARG  58           HE       ARG  58 -11.165  -2.716  -0.466
  481   HH11  ARG  58          1HH       ARG  58 -14.997  -3.630  -0.564
  482   HH21  ARG  58          1HH2      ARG  58 -11.634  -4.530   0.253
  483   HH22  ARG  58          2HH2      ARG  58 -13.301  -5.074   0.265
  484    H    CYS  59           H        CYS  59  -6.767   0.184  -4.505
  485    HA   CYS  59           HA       CYS  59  -7.071  -1.931  -6.442
  486    HB2  CYS  59          1HB       CYS  59  -5.167  -0.821  -7.572
  487    HB3  CYS  59          2HB       CYS  59  -6.576   0.199  -7.351
  488    H    ASN  60           H        ASN  60  -5.175  -1.017  -3.587
  489    HA   ASN  60           HA       ASN  60  -3.198  -3.029  -4.187
  490    HB2  ASN  60          1HB       ASN  60  -1.987  -2.106  -2.242
  491    HB3  ASN  60          2HB       ASN  60  -2.499  -0.786  -3.277
  492   HD21  ASN  60          1HD2      ASN  60  -1.893  -0.063  -0.859
  493   HD22  ASN  60          2HD2      ASN  60  -3.268   0.271   0.140
  Start of MODEL    4
    1    H1   MET   0          1H        MET   0 -12.870  12.046   1.352
    2    H2   MET   0          2H        MET   0 -12.267  12.618   0.103
    3    H    MET   0           H        MET   0 -13.076  11.304   0.027
    4    H3   MET   0          3H        MET   0 -13.118  11.384   0.029
    5    HA   MET   0           HA       MET   0 -10.344  11.461   0.299
    6    HB2  MET   0          1HB       MET   0 -11.817  10.327   2.682
    7    HB3  MET   0          2HB       MET   0 -10.111   9.960   2.328
    8    HG2  MET   0          1HG       MET   0  -9.492  12.271   2.603
    9    HG3  MET   0          2HG       MET   0 -11.196  12.758   2.752
   10    HE1  MET   0          1HE       MET   0  -9.808  13.407   6.377
   11    HE2  MET   0          2HE       MET   0  -8.951  13.655   4.837
   12    HE3  MET   0          3HE       MET   0 -10.668  14.104   4.983
   13    H    LEU   1           H        LEU   1  -9.288   9.375  -0.170
   14    HA   LEU   1           HA       LEU   1 -11.105   7.740  -1.708
   15    HB2  LEU   1          1HB       LEU   1  -8.188   7.795  -1.251
   16    HB3  LEU   1          2HB       LEU   1  -8.865   6.667  -2.449
   17    HG   LEU   1           HG       LEU   1  -8.831   9.705  -2.564
   18   HD11  LEU   1          1HD1      LEU   1  -7.538   9.305  -4.677
   19   HD12  LEU   1          2HD1      LEU   1  -6.726   8.573  -3.274
   20   HD13  LEU   1          3HD1      LEU   1  -7.654   7.552  -4.398
   21   HD21  LEU   1          1HD2      LEU   1 -10.026   9.492  -4.716
   22   HD22  LEU   1          2HD2      LEU   1 -10.192   7.743  -4.430
   23   HD23  LEU   1          3HD2      LEU   1 -10.984   8.902  -3.336
   24    H    LYS   2           H        LYS   2 -10.211   5.223  -1.680
   25    HA   LYS   2           HA       LYS   2  -9.948   4.461   1.136
   26    HB2  LYS   2          1HB       LYS   2 -11.383   2.469   0.545
   27    HB3  LYS   2          2HB       LYS   2 -12.225   4.032   0.676
   28    HG2  LYS   2          1HG       LYS   2 -12.205   4.231  -1.790
   29    HG3  LYS   2          2HG       LYS   2 -11.407   2.643  -1.900
   30    HD2  LYS   2          1HD       LYS   2 -13.344   1.600  -0.778
   31    HD3  LYS   2          2HD       LYS   2 -14.144   3.188  -0.698
   32    HE2  LYS   2          1HE       LYS   2 -14.065   3.320  -3.173
   33    HE3  LYS   2          2HE       LYS   2 -13.347   1.693  -3.215
   34    HZ1  LYS   2          1HZ       LYS   2 -15.719   1.629  -3.583
   35    HZ2  LYS   2          2HZ       LYS   2 -15.344   0.855  -2.175
   36    H    CYS   3           H        CYS   3  -8.348   2.983   1.517
   37    HA   CYS   3           HA       CYS   3  -7.373   1.531  -0.836
   38    HB2  CYS   3          1HB       CYS   3  -5.721   2.534   1.488
   39    HB3  CYS   3          2HB       CYS   3  -5.132   1.553   0.161
   40    H    ASN   4           H        ASN   4  -6.092  -0.550   0.026
   41    HA   ASN   4           HA       ASN   4  -8.143  -1.818   1.608
   42    HB2  ASN   4          1HB       ASN   4  -6.070  -3.167  -0.269
   43    HB3  ASN   4          2HB       ASN   4  -7.176  -3.759   0.994
   44   HD21  ASN   4          1HD2      ASN   4  -8.576  -3.563  -2.600
   45   HD22  ASN   4          2HD2      ASN   4  -6.959  -3.893  -2.073
   46    H    LYS   5           H        LYS   5  -7.654  -2.925   3.589
   47    HA   LYS   5           HA       LYS   5  -5.193  -2.290   4.866
   48    HB2  LYS   5          1HB       LYS   5  -7.422  -4.231   5.547
   49    HB3  LYS   5          2HB       LYS   5  -6.067  -3.824   6.626
   50    HG2  LYS   5          1HG       LYS   5  -6.817  -1.458   6.634
   51    HG3  LYS   5          2HG       LYS   5  -8.206  -1.916   5.620
   52    HD2  LYS   5          1HD       LYS   5  -8.945  -3.487   7.398
   53    HD3  LYS   5          2HD       LYS   5  -7.597  -2.930   8.418
   54    HE2  LYS   5          1HE       LYS   5  -8.491  -0.656   8.394
   55    HE3  LYS   5          2HE       LYS   5  -9.815  -1.172   7.325
   56    HZ1  LYS   5          1HZ       LYS   5 -10.517  -1.061   9.619
   57    HZ2  LYS   5          2HZ       LYS   5 -10.584  -2.619   9.081
   58    H    LEU   6           H        LEU   6  -3.957  -4.272   6.003
   59    HA   LEU   6           HA       LEU   6  -3.037  -6.177   4.222
   60    HB2  LEU   6          1HB       LEU   6  -2.067  -5.658   6.259
   61    HB3  LEU   6          2HB       LEU   6  -3.383  -6.287   7.277
   62    HG   LEU   6           HG       LEU   6  -2.938  -8.566   6.361
   63   HD11  LEU   6          1HD1      LEU   6  -0.762  -8.945   5.168
   64   HD12  LEU   6          2HD1      LEU   6  -1.827  -7.861   4.242
   65   HD13  LEU   6          3HD1      LEU   6  -0.470  -7.190   5.178
   66   HD21  LEU   6          1HD2      LEU   6  -0.876  -8.970   7.661
   67   HD22  LEU   6          2HD2      LEU   6  -0.591  -7.212   7.721
   68   HD23  LEU   6          3HD2      LEU   6  -2.027  -7.909   8.509
   69    H    VAL   7           H        VAL   7  -5.972  -6.111   6.296
   70    HA   VAL   7           HA       VAL   7  -6.830  -8.682   5.389
   71    HB   VAL   7           HB       VAL   7  -8.343  -6.375   6.704
   72   HG11  VAL   7          1HG1      VAL   7 -10.068  -8.073   7.205
   73   HG12  VAL   7          2HG1      VAL   7  -9.850  -7.879   5.449
   74   HG13  VAL   7          3HG1      VAL   7  -9.143  -9.283   6.285
   75   HG21  VAL   7          1HG2      VAL   7  -8.176  -7.709   8.744
   76   HG22  VAL   7          2HG2      VAL   7  -7.184  -8.906   7.880
   77   HG23  VAL   7          3HG2      VAL   7  -6.577  -7.249   8.114
   78    HA   PRO   8           HA       PRO   8  -7.732  -7.161   1.468
   79    HB2  PRO   8          1HB       PRO   8  -8.993  -9.822   1.038
   80    HB3  PRO   8          2HB       PRO   8  -7.722  -9.071   0.062
   81    HG2  PRO   8          1HG       PRO   8  -7.088 -11.040   1.745
   82    HG3  PRO   8          2HG       PRO   8  -6.012  -9.644   1.599
   83    HD2  PRO   8          1HD       PRO   8  -8.027 -10.271   3.799
   84    HD3  PRO   8          2HD       PRO   8  -6.396  -9.604   3.947
   85    H    ILE   9           H        ILE   9 -10.064  -8.130   3.705
   86    HA   ILE   9           HA       ILE   9 -12.190  -7.266   1.873
   87    HB   ILE   9           HB       ILE   9 -13.709  -8.575   3.386
   88   HG12  ILE   9          1HG1      ILE   9 -11.195  -9.605   4.666
   89   HG13  ILE   9          2HG1      ILE   9 -12.205  -8.311   5.355
   90   HG21  ILE   9          1HG2      ILE   9 -12.958 -10.822   2.681
   91   HG22  ILE   9          2HG2      ILE   9 -12.774  -9.643   1.363
   92   HG23  ILE   9          3HG2      ILE   9 -11.351 -10.166   2.294
   93   HD11  ILE   9          1HD1      ILE   9 -12.733 -10.492   6.375
   94   HD12  ILE   9          2HD1      ILE   9 -14.120  -9.859   5.456
   95   HD13  ILE   9          3HD1      ILE   9 -13.109 -11.152   4.768
   96    H    ALA  10           H        ALA  10 -10.317  -5.607   3.607
   97    HA   ALA  10           HA       ALA  10 -12.479  -4.023   4.714
   98    HB1  ALA  10          1HB       ALA  10 -11.870  -5.285   6.663
   99    HB2  ALA  10          2HB       ALA  10 -10.133  -5.084   6.331
  100    HB3  ALA  10          3HB       ALA  10 -11.112  -3.683   6.833
  101    H    TYR  11           H        TYR  11 -12.055  -1.801   4.575
  102    HA   TYR  11           HA       TYR  11  -9.450  -1.141   3.376
  103    HB2  TYR  11          1HB       TYR  11 -10.577   0.494   2.012
  104    HB3  TYR  11          2HB       TYR  11 -11.209  -1.144   1.712
  105    HD1  TYR  11          1HD       TYR  11 -11.981   2.197   3.036
  106    HD2  TYR  11          2HD       TYR  11 -13.483  -1.743   2.401
  107    HE1  TYR  11          1HE       TYR  11 -14.280   3.011   3.472
  108    HE2  TYR  11          2HE       TYR  11 -15.783  -0.948   2.833
  109    HH   TYR  11           HH       TYR  11 -17.103   0.833   3.352
  110    H    LYS  12           H        LYS  12  -8.680   1.065   3.772
  111    HA   LYS  12           HA       LYS  12  -9.956   2.271   6.127
  112    HB2  LYS  12          1HB       LYS  12  -7.112   2.378   5.084
  113    HB3  LYS  12          2HB       LYS  12  -7.727   3.399   6.406
  114    HG2  LYS  12          1HG       LYS  12  -8.223   1.356   7.720
  115    HG3  LYS  12          2HG       LYS  12  -7.536   0.367   6.410
  116    HD2  LYS  12          1HD       LYS  12  -5.359   1.390   6.710
  117    HD3  LYS  12          2HD       LYS  12  -6.019   2.522   7.915
  118    HE2  LYS  12          1HE       LYS  12  -6.603   0.592   9.361
  119    HE3  LYS  12          2HE       LYS  12  -5.846  -0.496   8.175
  120    HZ1  LYS  12          1HZ       LYS  12  -4.349   0.033   9.976
  121    HZ2  LYS  12          2HZ       LYS  12  -3.765   0.639   8.558
  122    H    THR  13           H        THR  13 -10.362   4.536   6.119
  123    HA   THR  13           HA       THR  13 -10.550   5.741   3.509
  124    HB   THR  13           HB       THR  13 -10.996   6.888   6.307
  125    HG1  THR  13          1HG       THR  13 -13.226   6.534   5.742
  126   HG21  THR  13          1HG2      THR  13 -12.270   8.644   5.125
  127   HG22  THR  13          2HG2      THR  13 -10.570   8.619   4.596
  128   HG23  THR  13          3HG2      THR  13 -11.833   7.910   3.563
  129    H    CYS  14           H        CYS  14  -9.199   7.161   2.539
  130    HA   CYS  14           HA       CYS  14  -6.559   7.129   3.541
  131    HB2  CYS  14          1HB       CYS  14  -7.839   8.502   1.178
  132    HB3  CYS  14          2HB       CYS  14  -6.131   8.634   1.543
  133    HA   PRO  15           HA       PRO  15  -6.659  11.035   5.607
  134    HB2  PRO  15          1HB       PRO  15  -4.033  11.648   5.787
  135    HB3  PRO  15          2HB       PRO  15  -4.690  10.331   6.769
  136    HG2  PRO  15          1HG       PRO  15  -3.261  10.183   4.091
  137    HG3  PRO  15          2HG       PRO  15  -3.012   9.197   5.538
  138    HD2  PRO  15          1HD       PRO  15  -4.555   8.328   3.423
  139    HD3  PRO  15          2HD       PRO  15  -4.883   7.825   5.086
  140    H    GLU  16           H        GLU  16  -6.481  13.314   5.286
  141    HA   GLU  16           HA       GLU  16  -6.911  13.990   2.658
  142    HB2  GLU  16          1HB       GLU  16  -7.628  15.315   4.584
  143    HB3  GLU  16          2HB       GLU  16  -5.930  15.678   4.982
  144    HG2  GLU  16          1HG       GLU  16  -5.746  16.993   2.815
  145    HG3  GLU  16          2HG       GLU  16  -7.427  16.490   2.525
  146    HE2  GLU  16           HE       GLU  16  -7.484  19.747   4.136
  147    H    GLY  17           H        GLY  17  -5.604  14.698   0.961
  148    HA2  GLY  17          1HA       GLY  17  -3.690  15.742   0.112
  149    HA3  GLY  17          2HA       GLY  17  -2.795  15.307   1.554
  150    H    LYS  18           H        LYS  18  -4.121  12.482   1.391
  151    HA   LYS  18           HA       LYS  18  -2.155  11.404  -0.452
  152    HB2  LYS  18          1HB       LYS  18  -4.032  10.212   1.603
  153    HB3  LYS  18          2HB       LYS  18  -3.043   9.220   0.505
  154    HG2  LYS  18          1HG       LYS  18  -2.063   9.512   2.799
  155    HG3  LYS  18          2HG       LYS  18  -1.005  10.045   1.471
  156    HD2  LYS  18          1HD       LYS  18  -1.611  12.364   1.859
  157    HD3  LYS  18          2HD       LYS  18  -2.797  11.881   3.096
  158    HE2  LYS  18          1HE       LYS  18  -1.007  10.992   4.498
  159    HE3  LYS  18          2HE       LYS  18   0.195  11.397   3.250
  160    HZ1  LYS  18          1HZ       LYS  18   0.122  13.054   4.988
  161    HZ2  LYS  18          2HZ       LYS  18  -0.365  13.714   3.557
  162    H    ASN  19           H        ASN  19  -2.816   9.663  -2.013
  163    HA   ASN  19           HA       ASN  19  -5.466  10.083  -3.033
  164    HB2  ASN  19          1HB       ASN  19  -4.149  12.141  -4.005
  165    HB3  ASN  19          2HB       ASN  19  -3.080  10.783  -4.434
  166   HD21  ASN  19          1HD2      ASN  19  -4.486  10.551  -7.553
  167   HD22  ASN  19          2HD2      ASN  19  -3.086  10.585  -6.533
  168    H    LEU  20           H        LEU  20  -2.219   8.640  -3.034
  169    HA   LEU  20           HA       LEU  20  -3.041   6.607  -4.953
  170    HB2  LEU  20          1HB       LEU  20  -0.525   7.014  -3.459
  171    HB3  LEU  20          2HB       LEU  20  -0.621   5.947  -4.879
  172    HG   LEU  20           HG       LEU  20  -0.713   8.981  -4.788
  173   HD11  LEU  20          1HD1      LEU  20   1.205   8.760  -6.390
  174   HD12  LEU  20          2HD1      LEU  20   1.543   7.924  -4.856
  175   HD13  LEU  20          3HD1      LEU  20   1.062   6.989  -6.293
  176   HD21  LEU  20          1HD2      LEU  20  -1.141   8.933  -7.221
  177   HD22  LEU  20          2HD2      LEU  20  -1.334   7.164  -7.134
  178   HD23  LEU  20          3HD2      LEU  20  -2.473   8.229  -6.275
  179    H    CYS  21           H        CYS  21  -2.880   4.307  -4.409
  180    HA   CYS  21           HA       CYS  21  -2.837   3.837  -1.520
  181    HB2  CYS  21          1HB       CYS  21  -3.892   2.099  -3.757
  182    HB3  CYS  21          2HB       CYS  21  -3.823   1.627  -2.071
  183    H    TYR  22           H        TYR  22  -1.244   2.415  -0.673
  184    HA   TYR  22           HA       TYR  22   0.775   1.547  -2.630
  185    HB2  TYR  22          1HB       TYR  22   2.488   2.222  -1.222
  186    HB3  TYR  22          2HB       TYR  22   1.330   3.574  -1.222
  187    HD1  TYR  22          1HD       TYR  22   2.760   0.823   0.780
  188    HD2  TYR  22          2HD       TYR  22   0.097   4.153   0.785
  189    HE1  TYR  22          1HE       TYR  22   2.653   0.725   3.253
  190    HE2  TYR  22          2HE       TYR  22  -0.022   4.069   3.253
  191    HH   TYR  22           HH       TYR  22   0.682   3.016   5.146
  192    H    LYS  23           H        LYS  23   1.826  -0.459  -2.219
  193    HA   LYS  23           HA       LYS  23   1.074  -1.769   0.290
  194    HB2  LYS  23          1HB       LYS  23   1.033  -3.920  -0.900
  195    HB3  LYS  23          2HB       LYS  23  -0.247  -2.812  -1.448
  196    HG2  LYS  23          1HG       LYS  23   1.005  -2.293  -3.465
  197    HG3  LYS  23          2HG       LYS  23   2.377  -3.277  -2.903
  198    HD2  LYS  23          1HD       LYS  23   0.901  -4.404  -4.605
  199    HD3  LYS  23          2HD       LYS  23   1.107  -5.300  -3.082
  200    HE2  LYS  23          1HE       LYS  23  -1.046  -4.493  -2.279
  201    HE3  LYS  23          2HE       LYS  23  -1.248  -3.507  -3.745
  202    HZ1  LYS  23          1HZ       LYS  23  -2.469  -5.570  -3.885
  203    HZ2  LYS  23          2HZ       LYS  23  -1.279  -5.539  -5.027
  204    H    MET  24           H        MET  24   2.747  -2.944   1.284
  205    HA   MET  24           HA       MET  24   5.334  -2.454   0.025
  206    HB2  MET  24          1HB       MET  24   4.560  -2.683   2.945
  207    HB3  MET  24          2HB       MET  24   6.224  -2.479   2.346
  208    HG2  MET  24          1HG       MET  24   5.451  -0.320   1.277
  209    HG3  MET  24          2HG       MET  24   3.927  -0.511   2.174
  210    HE1  MET  24          1HE       MET  24   5.047  -0.199   5.892
  211    HE2  MET  24          2HE       MET  24   3.676  -0.283   4.760
  212    HE3  MET  24          3HE       MET  24   4.767  -1.679   4.943
  213    H    PHE  25           H        PHE  25   6.801  -4.160  -0.194
  214    HA   PHE  25           HA       PHE  25   5.874  -6.740   0.857
  215    HB2  PHE  25          1HB       PHE  25   7.714  -5.946  -1.481
  216    HB3  PHE  25          2HB       PHE  25   7.363  -7.607  -1.042
  217    HD1  PHE  25          1HD       PHE  25   5.392  -8.664  -1.771
  218    HD2  PHE  25          2HD       PHE  25   5.846  -4.488  -2.322
  219    HE1  PHE  25          1HE       PHE  25   3.367  -8.643  -3.276
  220    HE2  PHE  25          2HE       PHE  25   3.831  -4.461  -3.822
  221    HZ   PHE  25           HZ       PHE  25   2.617  -6.540  -4.281
  222    H    MET  26           H        MET  26   7.643  -8.285   1.523
  223    HA   MET  26           HA       MET  26  10.136  -6.868   2.074
  224    HB2  MET  26          1HB       MET  26   8.860  -9.239   3.457
  225    HB3  MET  26          2HB       MET  26  10.507  -8.653   3.793
  226    HG2  MET  26          1HG       MET  26   9.596  -6.500   4.534
  227    HG3  MET  26          2HG       MET  26   7.948  -7.070   4.183
  228    HE1  MET  26          1HE       MET  26   8.043  -6.951   8.129
  229    HE2  MET  26          2HE       MET  26   8.860  -5.833   7.008
  230    HE3  MET  26          3HE       MET  26   7.204  -6.391   6.661
  231    H    MET  27           H        MET  27  12.130  -7.929   1.531
  232    HA   MET  27           HA       MET  27  12.079  -9.068  -0.910
  233    HB2  MET  27          1HB       MET  27  14.076  -9.161   1.341
  234    HB3  MET  27          2HB       MET  27  14.422  -9.927  -0.228
  235    HG2  MET  27          1HG       MET  27  13.790  -6.994   0.225
  236    HG3  MET  27          2HG       MET  27  15.409  -7.675  -0.061
  237    HE1  MET  27          1HE       MET  27  15.210  -8.894  -3.757
  238    HE2  MET  27          2HE       MET  27  16.259  -8.604  -2.347
  239    HE3  MET  27          3HE       MET  27  14.982  -9.843  -2.268
  240    H    SER  28           H        SER  28  11.729 -10.661   2.251
  241    HA   SER  28           HA       SER  28  12.009 -13.272   1.411
  242    HB2  SER  28          1HB       SER  28  11.804 -12.621   3.743
  243    HB3  SER  28          2HB       SER  28  10.149 -12.036   3.466
  244    HG   SER  28           HG       SER  28  10.211 -14.130   4.393
  245    H    ASP  29           H        ASP  29   8.816 -11.643   2.054
  246    HA   ASP  29           HA       ASP  29   7.659 -13.507   0.186
  247    HB2  ASP  29          1HB       ASP  29   6.656 -13.159   2.524
  248    HB3  ASP  29          2HB       ASP  29   6.411 -11.494   1.941
  249    HD2  ASP  29           HD       ASP  29   3.351 -13.434   1.353
  250    H    LEU  30           H        LEU  30   8.434 -12.459  -1.818
  251    HA   LEU  30           HA       LEU  30   7.636  -9.758  -2.350
  252    HB2  LEU  30          1HB       LEU  30   8.963 -11.992  -3.624
  253    HB3  LEU  30          2HB       LEU  30   8.294 -10.851  -4.812
  254    HG   LEU  30           HG       LEU  30   9.989  -9.409  -4.509
  255   HD11  LEU  30          1HD1      LEU  30  10.706  -8.620  -2.237
  256   HD12  LEU  30          2HD1      LEU  30   8.934  -8.623  -2.391
  257   HD13  LEU  30          3HD1      LEU  30   9.753  -9.929  -1.500
  258   HD21  LEU  30          1HD2      LEU  30  12.067 -10.286  -3.502
  259   HD22  LEU  30          2HD2      LEU  30  11.136 -11.629  -2.794
  260   HD23  LEU  30          3HD2      LEU  30  11.264 -11.469  -4.562
  261    H    THR  31           H        THR  31   6.127 -12.869  -2.353
  262    HA   THR  31           HA       THR  31   4.533 -12.487  -4.690
  263    HB   THR  31           HB       THR  31   4.239 -14.403  -2.325
  264    HG1  THR  31          1HG       THR  31   5.227 -15.876  -3.831
  265   HG21  THR  31          1HG2      THR  31   2.835 -15.730  -3.864
  266   HG22  THR  31          2HG2      THR  31   2.135 -14.116  -3.590
  267   HG23  THR  31          3HG2      THR  31   2.999 -14.466  -5.105
  268    H    ILE  32           H        ILE  32   4.018 -12.074  -1.150
  269    HA   ILE  32           HA       ILE  32   1.493 -10.748  -1.844
  270    HB   ILE  32           HB       ILE  32   2.088 -12.652   0.469
  271   HG12  ILE  32          1HG1      ILE  32   1.536 -13.721  -1.618
  272   HG13  ILE  32          2HG1      ILE  32   0.281 -13.957  -0.380
  273   HG21  ILE  32          1HG2      ILE  32  -0.202 -12.148   1.252
  274   HG22  ILE  32          2HG2      ILE  32   0.817 -10.690   1.275
  275   HG23  ILE  32          3HG2      ILE  32  -0.371 -10.924  -0.029
  276   HD11  ILE  32          1HD1      ILE  32  -0.720 -13.541  -2.592
  277   HD12  ILE  32          2HD1      ILE  32  -1.107 -12.228  -1.454
  278   HD13  ILE  32          3HD1      ILE  32   0.148 -11.993  -2.694
  279    HA   PRO  33           HA       PRO  33   3.403  -7.507   0.343
  280    HB2  PRO  33          1HB       PRO  33   1.378  -5.681   0.287
  281    HB3  PRO  33          2HB       PRO  33   2.351  -5.994  -1.158
  282    HG2  PRO  33          1HG       PRO  33  -0.334  -7.177  -0.371
  283    HG3  PRO  33          2HG       PRO  33   0.187  -6.549  -1.940
  284    HD2  PRO  33          1HD       PRO  33   0.184  -9.239  -1.418
  285    HD3  PRO  33          2HD       PRO  33   1.403  -8.516  -2.475
  286    H    VAL  34           H        VAL  34   3.248  -6.249   2.379
  287    HA   VAL  34           HA       VAL  34   1.994  -8.184   4.201
  288    HB   VAL  34           HB       VAL  34   3.915  -7.757   5.715
  289   HG11  VAL  34          1HG1      VAL  34   5.676  -8.867   4.380
  290   HG12  VAL  34          2HG1      VAL  34   4.084  -9.608   4.085
  291   HG13  VAL  34          3HG1      VAL  34   4.782  -8.488   2.888
  292   HG21  VAL  34          1HG2      VAL  34   5.851  -6.475   4.956
  293   HG22  VAL  34          2HG2      VAL  34   4.963  -6.011   3.485
  294   HG23  VAL  34          3HG2      VAL  34   4.389  -5.469   5.079
  295    H    LYS  35           H        LYS  35   2.366  -4.855   3.220
  296    HA   LYS  35           HA       LYS  35   0.396  -4.168   5.224
  297    HB2  LYS  35          1HB       LYS  35   3.075  -2.793   4.902
  298    HB3  LYS  35          2HB       LYS  35   1.669  -2.017   5.670
  299    HG2  LYS  35          1HG       LYS  35   1.645  -4.018   7.272
  300    HG3  LYS  35          2HG       LYS  35   3.259  -4.406   6.631
  301    HD2  LYS  35          1HD       LYS  35   3.719  -3.121   8.539
  302    HD3  LYS  35          2HD       LYS  35   3.853  -1.958   7.198
  303    HE2  LYS  35          1HE       LYS  35   1.641  -1.103   7.638
  304    HE3  LYS  35          2HE       LYS  35   1.350  -2.364   8.857
  305    HZ1  LYS  35          1HZ       LYS  35   1.936  -0.268   9.871
  306    HZ2  LYS  35          2HZ       LYS  35   3.100  -1.394  10.186
  307    H    ARG  36           H        ARG  36  -0.999  -2.504   4.535
  308    HA   ARG  36           HA       ARG  36  -0.342  -1.284   2.009
  309    HB2  ARG  36          1HB       ARG  36  -2.835  -2.987   2.496
  310    HB3  ARG  36          2HB       ARG  36  -2.690  -1.873   1.150
  311    HG2  ARG  36          1HG       ARG  36  -1.809  -3.669   0.039
  312    HG3  ARG  36          2HG       ARG  36  -0.330  -3.259   0.885
  313    HD2  ARG  36          1HD       ARG  36  -0.696  -5.609   1.277
  314    HD3  ARG  36          2HD       ARG  36  -1.085  -4.801   2.782
  315    HE   ARG  36           HE       ARG  36  -3.538  -4.851   1.737
  316   HH11  ARG  36          1HH       ARG  36  -4.582  -8.175   1.496
  317   HH21  ARG  36          1HH2      ARG  36  -2.235  -8.661   1.475
  318   HH22  ARG  36          2HH2      ARG  36  -1.087  -7.369   1.574
  319    H    GLY  37           H        GLY  37  -1.486   0.731   1.665
  320    HA2  GLY  37          1HA       GLY  37  -3.572   1.610   3.392
  321    HA3  GLY  37          2HA       GLY  37  -2.017   2.211   3.934
  322    H    CYS  38           H        CYS  38  -2.999   4.375   3.397
  323    HA   CYS  38           HA       CYS  38  -3.044   4.875   0.525
  324    HB2  CYS  38          1HB       CYS  38  -3.872   6.388   3.114
  325    HB3  CYS  38          2HB       CYS  38  -4.186   7.025   1.480
  326    H    ILE  39           H        ILE  39  -1.779   6.731  -0.309
  327    HA   ILE  39           HA       ILE  39  -0.069   8.140   1.490
  328    HB   ILE  39           HB       ILE  39   1.226   5.987   1.048
  329   HG12  ILE  39          1HG1      ILE  39   2.616   8.330  -0.183
  330   HG13  ILE  39          2HG1      ILE  39   2.148   8.320   1.532
  331   HG21  ILE  39          1HG2      ILE  39   2.241   5.733  -1.191
  332   HG22  ILE  39          2HG2      ILE  39   0.467   5.635  -1.278
  333   HG23  ILE  39          3HG2      ILE  39   1.301   7.126  -1.776
  334   HD11  ILE  39          1HD1      ILE  39   4.486   7.599   1.244
  335   HD12  ILE  39          2HD1      ILE  39   3.481   6.278   1.885
  336   HD13  ILE  39          3HD1      ILE  39   3.950   6.288   0.169
  337    H    ASP  40           H        ASP  40   1.104   9.906   0.342
  338    HA   ASP  40           HA       ASP  40  -0.570  10.788  -1.817
  339    HB2  ASP  40          1HB       ASP  40   0.679  13.007  -1.449
  340    HB3  ASP  40          2HB       ASP  40  -0.266  12.239  -0.151
  341    HD2  ASP  40           HD       ASP  40   3.099  13.256   1.052
  342    H    VAL  41           H        VAL  41   2.965  10.349  -1.044
  343    HA   VAL  41           HA       VAL  41   3.488  10.348  -3.936
  344    HB   VAL  41           HB       VAL  41   5.306  11.208  -1.637
  345   HG11  VAL  41          1HG1      VAL  41   6.875  11.876  -3.427
  346   HG12  VAL  41          2HG1      VAL  41   6.549  10.127  -3.480
  347   HG13  VAL  41          3HG1      VAL  41   5.763  11.214  -4.648
  348   HG21  VAL  41          1HG2      VAL  41   5.152  13.442  -2.614
  349   HG22  VAL  41          2HG2      VAL  41   3.977  12.837  -3.808
  350   HG23  VAL  41          3HG2      VAL  41   3.568  12.838  -2.075
  351    H    CYS  42           H        CYS  42   4.234   8.462  -4.767
  352    HA   CYS  42           HA       CYS  42   4.488   6.250  -3.034
  353    HB2  CYS  42          1HB       CYS  42   3.583   6.125  -5.323
  354    HB3  CYS  42          2HB       CYS  42   5.168   6.496  -5.972
  355    HA   PRO  43           HA       PRO  43   8.780   6.957  -2.281
  356    HB2  PRO  43          1HB       PRO  43   9.212   5.023  -0.421
  357    HB3  PRO  43          2HB       PRO  43   8.359   6.509   0.018
  358    HG2  PRO  43          1HG       PRO  43   7.212   3.813  -0.770
  359    HG3  PRO  43          2HG       PRO  43   6.721   4.889   0.544
  360    HD2  PRO  43          1HD       PRO  43   5.369   4.815  -1.852
  361    HD3  PRO  43          2HD       PRO  43   5.479   6.298  -0.895
  362    H    LYS  44           H        LYS  44  10.762   6.228  -3.016
  363    HA   LYS  44           HA       LYS  44  10.512   4.318  -5.080
  364    HB2  LYS  44          1HB       LYS  44  12.904   5.563  -3.695
  365    HB3  LYS  44          2HB       LYS  44  13.014   4.520  -5.133
  366    HG2  LYS  44          1HG       LYS  44  11.694   6.142  -6.421
  367    HG3  LYS  44          2HG       LYS  44  11.560   7.182  -4.984
  368    HD2  LYS  44          1HD       LYS  44  13.986   7.481  -4.942
  369    HD3  LYS  44          2HD       LYS  44  14.162   6.383  -6.331
  370    HE2  LYS  44          1HE       LYS  44  12.845   7.923  -7.720
  371    HE3  LYS  44          2HE       LYS  44  12.660   9.020  -6.332
  372    HZ1  LYS  44          1HZ       LYS  44  14.431   9.724  -7.794
  373    HZ2  LYS  44          2HZ       LYS  44  15.047   9.303  -6.323
  374    H    ASN  45           H        ASN  45  11.954   2.321  -5.227
  375    HA   ASN  45           HA       ASN  45  11.083   0.718  -3.086
  376    HB2  ASN  45          1HB       ASN  45  12.743  -0.184  -5.555
  377    HB3  ASN  45          2HB       ASN  45  12.094  -0.978  -4.099
  378   HD21  ASN  45          1HD2      ASN  45   9.803  -1.002  -7.175
  379   HD22  ASN  45          2HD2      ASN  45  11.526  -1.142  -7.066
  380    H    SER  46           H        SER  46  12.426  -0.451  -1.544
  381    HA   SER  46           HA       SER  46  15.152   0.576  -1.400
  382    HB2  SER  46          1HB       SER  46  15.043   0.154   0.991
  383    HB3  SER  46          2HB       SER  46  13.648   1.139   0.492
  384    HG   SER  46           HG       SER  46  12.396  -0.757   0.533
  385    H    LEU  47           H        LEU  47  16.534  -1.184   0.056
  386    HA   LEU  47           HA       LEU  47  16.659  -3.437  -1.698
  387    HB2  LEU  47          1HB       LEU  47  18.026  -2.608   0.787
  388    HB3  LEU  47          2HB       LEU  47  18.614  -4.043  -0.085
  389    HG   LEU  47           HG       LEU  47  18.590  -1.179  -1.115
  390   HD11  LEU  47          1HD1      LEU  47  21.087  -1.414  -1.043
  391   HD12  LEU  47          2HD1      LEU  47  20.371  -1.625   0.573
  392   HD13  LEU  47          3HD1      LEU  47  20.899  -3.046  -0.360
  393   HD21  LEU  47          1HD2      LEU  47  19.799  -2.082  -3.072
  394   HD22  LEU  47          2HD2      LEU  47  19.578  -3.727  -2.427
  395   HD23  LEU  47          3HD2      LEU  47  18.162  -2.760  -2.903
  396    H    LEU  48           H        LEU  48  15.239  -2.683   1.442
  397    HA   LEU  48           HA       LEU  48  15.200  -5.499   2.174
  398    HB2  LEU  48          1HB       LEU  48  14.381  -2.970   3.468
  399    HB3  LEU  48          2HB       LEU  48  14.245  -4.500   4.367
  400    HG   LEU  48           HG       LEU  48  16.806  -3.173   3.392
  401   HD11  LEU  48          1HD1      LEU  48  17.313  -2.988   5.842
  402   HD12  LEU  48          2HD1      LEU  48  15.815  -2.124   5.425
  403   HD13  LEU  48          3HD1      LEU  48  15.733  -3.719   6.209
  404   HD21  LEU  48          1HD2      LEU  48  17.982  -5.013   4.546
  405   HD22  LEU  48          2HD2      LEU  48  16.412  -5.783   4.882
  406   HD23  LEU  48          3HD2      LEU  48  16.965  -5.585   3.202
  407    H    VAL  49           H        VAL  49  12.974  -2.719   1.542
  408    HA   VAL  49           HA       VAL  49  10.833  -4.707   1.233
  409    HB   VAL  49           HB       VAL  49   9.265  -2.917   2.063
  410   HG11  VAL  49          1HG1      VAL  49   9.840  -3.152   4.456
  411   HG12  VAL  49          2HG1      VAL  49  10.057  -4.691   3.590
  412   HG13  VAL  49          3HG1      VAL  49  11.474  -3.698   4.009
  413   HG21  VAL  49          1HG2      VAL  49  10.172  -1.005   3.286
  414   HG22  VAL  49          2HG2      VAL  49  11.818  -1.475   2.798
  415   HG23  VAL  49          3HG2      VAL  49  10.630  -0.976   1.567
  416    H    LYS  50           H        LYS  50   9.323  -4.296  -0.455
  417    HA   LYS  50           HA       LYS  50  10.294  -2.298  -2.369
  418    HB2  LYS  50          1HB       LYS  50  10.340  -4.606  -3.159
  419    HB3  LYS  50          2HB       LYS  50   8.628  -4.807  -2.716
  420    HG2  LYS  50          1HG       LYS  50   8.013  -3.099  -4.401
  421    HG3  LYS  50          2HG       LYS  50   9.724  -2.964  -4.866
  422    HD2  LYS  50          1HD       LYS  50   9.751  -5.314  -5.542
  423    HD3  LYS  50          2HD       LYS  50   8.060  -5.499  -5.020
  424    HE2  LYS  50          1HE       LYS  50   7.372  -3.815  -6.684
  425    HE3  LYS  50          2HE       LYS  50   9.062  -3.662  -7.218
  426    HZ1  LYS  50          1HZ       LYS  50   7.808  -5.133  -8.643
  427    HZ2  LYS  50          2HZ       LYS  50   8.996  -5.974  -7.867
  428    H    TYR  51           H        TYR  51   8.809  -0.860  -3.369
  429    HA   TYR  51           HA       TYR  51   6.268  -0.660  -1.898
  430    HB2  TYR  51          1HB       TYR  51   8.045   1.487  -3.059
  431    HB3  TYR  51          2HB       TYR  51   6.431   1.757  -2.357
  432    HD1  TYR  51          1HD       TYR  51   9.956   1.034  -1.632
  433    HD2  TYR  51          2HD       TYR  51   6.078   1.547   0.063
  434    HE1  TYR  51          1HE       TYR  51  10.975   1.244   0.617
  435    HE2  TYR  51          2HE       TYR  51   7.077   1.759   2.314
  436    HH   TYR  51           HH       TYR  51   8.997   1.771   3.538
  437    H    VAL  52           H        VAL  52   4.439  -0.868  -3.098
  438    HA   VAL  52           HA       VAL  52   4.633  -0.043  -5.911
  439    HB   VAL  52           HB       VAL  52   2.915  -2.278  -4.729
  440   HG11  VAL  52          1HG1      VAL  52   2.254  -2.692  -7.074
  441   HG12  VAL  52          2HG1      VAL  52   1.785  -1.056  -6.556
  442   HG13  VAL  52          3HG1      VAL  52   3.213  -1.286  -7.594
  443   HG21  VAL  52          1HG2      VAL  52   4.251  -3.779  -6.117
  444   HG22  VAL  52          2HG2      VAL  52   5.282  -2.412  -6.602
  445   HG23  VAL  52          3HG2      VAL  52   5.240  -2.938  -4.903
  446    H    CYS  53           H        CYS  53   3.222   1.542  -6.510
  447    HA   CYS  53           HA       CYS  53   1.039   2.078  -4.629
  448    HB2  CYS  53          1HB       CYS  53   2.461   4.138  -6.314
  449    HB3  CYS  53          2HB       CYS  53   1.229   4.425  -5.100
  450    H    CYS  54           H        CYS  54  -0.974   2.858  -5.666
  451    HA   CYS  54           HA       CYS  54  -1.016   2.864  -8.544
  452    HB2  CYS  54          1HB       CYS  54  -3.026   1.325  -8.561
  453    HB3  CYS  54          2HB       CYS  54  -1.447   0.587  -8.376
  454    H    ASN  55           H        ASN  55  -3.022   3.993  -9.323
  455    HA   ASN  55           HA       ASN  55  -3.403   5.981  -7.252
  456    HB2  ASN  55          1HB       ASN  55  -3.439   7.680  -9.135
  457    HB3  ASN  55          2HB       ASN  55  -2.197   6.406  -9.061
  458   HD21  ASN  55          1HD2      ASN  55  -3.470   6.919 -12.550
  459   HD22  ASN  55          2HD2      ASN  55  -2.895   7.994 -11.320
  460    H    THR  56           H        THR  56  -5.120   3.565  -7.452
  461    HA   THR  56           HA       THR  56  -7.666   4.966  -7.831
  462    HB   THR  56           HB       THR  56  -8.632   2.849  -8.761
  463    HG1  THR  56          1HG       THR  56  -7.103   1.257  -9.499
  464   HG21  THR  56          1HG2      THR  56  -7.653   3.023 -11.021
  465   HG22  THR  56          2HG2      THR  56  -7.909   4.635 -10.308
  466   HG23  THR  56          3HG2      THR  56  -6.274   3.931 -10.355
  467    H    ASP  57           H        ASP  57  -9.502   3.426  -6.879
  468    HA   ASP  57           HA       ASP  57  -8.689   3.390  -4.157
  469    HB2  ASP  57          1HB       ASP  57 -11.430   2.967  -5.475
  470    HB3  ASP  57          2HB       ASP  57 -10.994   2.828  -3.753
  471    HD2  ASP  57           HD       ASP  57 -11.532   6.416  -5.186
  472    H    ARG  58           H        ARG  58  -8.501   1.510  -2.822
  473    HA   ARG  58           HA       ARG  58  -8.313  -0.579  -2.278
  474    HB2  ARG  58          1HB       ARG  58 -10.785  -0.897  -3.936
  475    HB3  ARG  58          2HB       ARG  58 -10.146  -2.097  -2.790
  476    HG2  ARG  58          1HG       ARG  58 -10.336  -0.290  -1.007
  477    HG3  ARG  58          2HG       ARG  58 -11.273   0.648  -2.195
  478    HD2  ARG  58          1HD       ARG  58 -12.747  -0.464  -0.707
  479    HD3  ARG  58          2HD       ARG  58 -12.875  -1.194  -2.325
  480    HE   ARG  58           HE       ARG  58 -11.142  -2.819  -0.593
  481   HH11  ARG  58          1HH       ARG  58 -15.000  -3.618  -0.665
  482   HH21  ARG  58          1HH2      ARG  58 -11.654  -4.640   0.080
  483   HH22  ARG  58          2HH2      ARG  58 -13.336  -5.134   0.100
  484    H    CYS  59           H        CYS  59  -6.724   0.216  -4.566
  485    HA   CYS  59           HA       CYS  59  -6.989  -1.894  -6.510
  486    HB2  CYS  59          1HB       CYS  59  -5.095  -0.765  -7.624
  487    HB3  CYS  59          2HB       CYS  59  -6.501   0.253  -7.390
  488    H    ASN  60           H        ASN  60  -5.124  -0.993  -3.631
  489    HA   ASN  60           HA       ASN  60  -3.116  -2.966  -4.241
  490    HB2  ASN  60          1HB       ASN  60  -1.936  -2.050  -2.270
  491    HB3  ASN  60          2HB       ASN  60  -2.449  -0.732  -3.303
  492   HD21  ASN  60          1HD2      ASN  60  -1.881  -0.015  -0.873
  493   HD22  ASN  60          2HD2      ASN  60  -3.273   0.298   0.110
  Start of MODEL    5
    1    H1   MET   0          1H        MET   0 -12.829  12.105   1.255
    2    H2   MET   0          2H        MET   0 -12.332  12.651  -0.050
    3    H    MET   0           H        MET   0 -13.101  11.312  -0.027
    4    H3   MET   0          3H        MET   0 -13.146  11.391  -0.025
    5    HA   MET   0           HA       MET   0 -10.362  11.561   0.051
    6    HB2  MET   0          1HB       MET   0 -11.635  10.471   2.566
    7    HB3  MET   0          2HB       MET   0  -9.948  10.138   2.108
    8    HG2  MET   0          1HG       MET   0  -9.369  12.462   2.276
    9    HG3  MET   0          2HG       MET   0 -11.074  12.923   2.493
   10    HE1  MET   0          1HE       MET   0  -9.627  13.771   6.027
   11    HE2  MET   0          2HE       MET   0  -8.858  14.024   4.441
   12    HE3  MET   0          3HE       MET   0 -10.597  14.347   4.649
   13    H    LEU   1           H        LEU   1  -9.273   9.500  -0.432
   14    HA   LEU   1           HA       LEU   1 -11.123   7.769  -1.805
   15    HB2  LEU   1          1HB       LEU   1  -8.189   7.896  -1.485
   16    HB3  LEU   1          2HB       LEU   1  -8.894   6.714  -2.613
   17    HG   LEU   1           HG       LEU   1  -8.889   9.746  -2.831
   18   HD11  LEU   1          1HD1      LEU   1  -7.758   9.266  -5.019
   19   HD12  LEU   1          2HD1      LEU   1  -6.850   8.572  -3.656
   20   HD13  LEU   1          3HD1      LEU   1  -7.865   7.524  -4.676
   21   HD21  LEU   1          1HD2      LEU   1 -10.241   9.476  -4.881
   22   HD22  LEU   1          2HD2      LEU   1 -10.398   7.737  -4.528
   23   HD23  LEU   1          3HD2      LEU   1 -11.098   8.939  -3.417
   24    H    LYS   2           H        LYS   2 -10.162   5.272  -1.740
   25    HA   LYS   2           HA       LYS   2  -9.867   4.598   1.097
   26    HB2  LYS   2          1HB       LYS   2 -11.316   2.591   0.575
   27    HB3  LYS   2          2HB       LYS   2 -12.148   4.161   0.685
   28    HG2  LYS   2          1HG       LYS   2 -12.182   4.306  -1.779
   29    HG3  LYS   2          2HG       LYS   2 -11.373   2.724  -1.877
   30    HD2  LYS   2          1HD       LYS   2 -13.277   1.677  -0.718
   31    HD3  LYS   2          2HD       LYS   2 -14.087   3.258  -0.620
   32    HE2  LYS   2          1HE       LYS   2 -14.069   3.385  -3.099
   33    HE3  LYS   2          2HE       LYS   2 -13.347   1.760  -3.152
   34    HZ1  LYS   2          1HZ       LYS   2 -15.728   1.687  -3.460
   35    HZ2  LYS   2          2HZ       LYS   2 -15.315   0.921  -2.058
   36    H    CYS   3           H        CYS   3  -8.297   3.092   1.511
   37    HA   CYS   3           HA       CYS   3  -7.329   1.595  -0.815
   38    HB2  CYS   3          1HB       CYS   3  -5.669   2.671   1.470
   39    HB3  CYS   3          2HB       CYS   3  -5.081   1.632   0.188
   40    H    ASN   4           H        ASN   4  -6.042  -0.467   0.087
   41    HA   ASN   4           HA       ASN   4  -8.096  -1.693   1.703
   42    HB2  ASN   4          1HB       ASN   4  -6.055  -3.080  -0.184
   43    HB3  ASN   4          2HB       ASN   4  -7.135  -3.654   1.110
   44   HD21  ASN   4          1HD2      ASN   4  -8.602  -3.501  -2.463
   45   HD22  ASN   4          2HD2      ASN   4  -6.972  -3.815  -1.967
   46    H    LYS   5           H        LYS   5  -7.585  -2.823   3.678
   47    HA   LYS   5           HA       LYS   5  -5.024  -2.257   4.846
   48    HB2  LYS   5          1HB       LYS   5  -7.397  -3.920   5.743
   49    HB3  LYS   5          2HB       LYS   5  -5.954  -3.595   6.734
   50    HG2  LYS   5          1HG       LYS   5  -6.465  -1.261   6.865
   51    HG3  LYS   5          2HG       LYS   5  -7.742  -1.408   5.635
   52    HD2  LYS   5          1HD       LYS   5  -8.707  -1.236   7.886
   53    HD3  LYS   5          2HD       LYS   5  -9.058  -2.820   7.153
   54    HE2  LYS   5          1HE       LYS   5  -7.208  -3.821   8.416
   55    HE3  LYS   5          2HE       LYS   5  -6.838  -2.239   9.138
   56    HZ1  LYS   5          1HZ       LYS   5  -8.155  -3.604  10.612
   57    HZ2  LYS   5          2HZ       LYS   5  -9.013  -2.270  10.159
   58    H    LEU   6           H        LEU   6  -3.994  -4.303   6.089
   59    HA   LEU   6           HA       LEU   6  -3.059  -6.168   4.298
   60    HB2  LEU   6          1HB       LEU   6  -2.064  -5.699   6.461
   61    HB3  LEU   6          2HB       LEU   6  -3.455  -6.377   7.284
   62    HG   LEU   6           HG       LEU   6  -2.939  -8.597   6.306
   63   HD11  LEU   6          1HD1      LEU   6  -0.752  -7.041   4.979
   64   HD12  LEU   6          2HD1      LEU   6  -0.466  -8.740   5.428
   65   HD13  LEU   6          3HD1      LEU   6  -1.804  -8.323   4.331
   66   HD21  LEU   6          1HD2      LEU   6  -1.973  -7.574   8.528
   67   HD22  LEU   6          2HD2      LEU   6  -1.416  -9.155   7.930
   68   HD23  LEU   6          3HD2      LEU   6  -0.423  -7.703   7.660
   69    H    VAL   7           H        VAL   7  -6.028  -6.206   6.342
   70    HA   VAL   7           HA       VAL   7  -6.886  -8.692   5.195
   71    HB   VAL   7           HB       VAL   7  -8.371  -6.550   6.787
   72   HG11  VAL   7          1HG1      VAL   7 -10.103  -8.287   7.105
   73   HG12  VAL   7          2HG1      VAL   7  -9.905  -7.888   5.382
   74   HG13  VAL   7          3HG1      VAL   7  -9.198  -9.385   6.036
   75   HG21  VAL   7          1HG2      VAL   7  -8.189  -8.118   8.653
   76   HG22  VAL   7          2HG2      VAL   7  -7.216  -9.210   7.639
   77   HG23  VAL   7          3HG2      VAL   7  -6.595  -7.595   8.061
   78    HA   PRO   8           HA       PRO   8  -7.929  -6.717   1.558
   79    HB2  PRO   8          1HB       PRO   8  -8.653  -8.869   0.038
   80    HB3  PRO   8          2HB       PRO   8  -6.961  -8.593   0.475
   81    HG2  PRO   8          1HG       PRO   8  -9.018 -10.364   1.836
   82    HG3  PRO   8          2HG       PRO   8  -7.334 -10.725   1.433
   83    HD2  PRO   8          1HD       PRO   8  -8.043  -9.982   3.964
   84    HD3  PRO   8          2HD       PRO   8  -6.487  -9.493   3.282
   85    H    ILE   9           H        ILE   9 -10.193  -7.948   3.608
   86    HA   ILE   9           HA       ILE   9 -12.338  -7.017   1.832
   87    HB   ILE   9           HB       ILE   9 -13.857  -8.320   3.348
   88   HG12  ILE   9          1HG1      ILE   9 -11.347  -9.425   4.569
   89   HG13  ILE   9          2HG1      ILE   9 -12.314  -8.120   5.294
   90   HG21  ILE   9          1HG2      ILE   9 -13.170 -10.572   2.596
   91   HG22  ILE   9          2HG2      ILE   9 -12.980  -9.377   1.293
   92   HG23  ILE   9          3HG2      ILE   9 -11.555  -9.945   2.193
   93   HD11  ILE   9          1HD1      ILE   9 -12.876 -10.302   6.290
   94   HD12  ILE   9          2HD1      ILE   9 -14.263  -9.624   5.405
   95   HD13  ILE   9          3HD1      ILE   9 -13.295 -10.930   4.681
   96    H    ALA  10           H        ALA  10 -10.358  -5.502   3.640
   97    HA   ALA  10           HA       ALA  10 -12.456  -3.879   4.834
   98    HB1  ALA  10          1HB       ALA  10 -11.414  -3.769   6.977
   99    HB2  ALA  10          2HB       ALA  10 -11.488  -5.499   6.567
  100    HB3  ALA  10          3HB       ALA  10  -9.956  -4.609   6.395
  101    H    TYR  11           H        TYR  11 -12.054  -1.688   4.600
  102    HA   TYR  11           HA       TYR  11  -9.425  -1.013   3.461
  103    HB2  TYR  11          1HB       TYR  11 -10.533   0.605   2.059
  104    HB3  TYR  11          2HB       TYR  11 -11.143  -1.040   1.754
  105    HD1  TYR  11          1HD       TYR  11 -11.976   2.301   3.040
  106    HD2  TYR  11          2HD       TYR  11 -13.427  -1.655   2.386
  107    HE1  TYR  11          1HE       TYR  11 -14.292   3.097   3.415
  108    HE2  TYR  11          2HE       TYR  11 -15.744  -0.878   2.757
  109    HH   TYR  11           HH       TYR  11 -17.092   0.895   3.233
  110    H    LYS  12           H        LYS  12  -8.675   1.193   3.875
  111    HA   LYS  12           HA       LYS  12 -10.079   2.453   6.127
  112    HB2  LYS  12          1HB       LYS  12  -7.168   2.449   5.297
  113    HB3  LYS  12          2HB       LYS  12  -7.842   3.582   6.492
  114    HG2  LYS  12          1HG       LYS  12  -8.527   1.635   7.889
  115    HG3  LYS  12          2HG       LYS  12  -7.730   0.555   6.720
  116    HD2  LYS  12          1HD       LYS  12  -5.577   1.558   7.172
  117    HD3  LYS  12          2HD       LYS  12  -6.326   2.799   8.204
  118    HE2  LYS  12          1HE       LYS  12  -7.100   1.007   9.738
  119    HE3  LYS  12          2HE       LYS  12  -6.252  -0.189   8.731
  120    HZ1  LYS  12          1HZ       LYS  12  -4.935   0.472  10.627
  121    HZ2  LYS  12          2HZ       LYS  12  -4.195   0.947   9.232
  122    H    THR  13           H        THR  13 -10.440   4.725   6.041
  123    HA   THR  13           HA       THR  13 -10.493   5.848   3.394
  124    HB   THR  13           HB       THR  13 -11.024   7.098   6.134
  125    HG1  THR  13          1HG       THR  13 -13.237   6.752   5.504
  126   HG21  THR  13          1HG2      THR  13 -12.230   8.826   4.848
  127   HG22  THR  13          2HG2      THR  13 -10.515   8.762   4.381
  128   HG23  THR  13          3HG2      THR  13 -11.751   8.033   3.329
  129    H    CYS  14           H        CYS  14  -9.109   7.261   2.440
  130    HA   CYS  14           HA       CYS  14  -6.496   7.194   3.496
  131    HB2  CYS  14          1HB       CYS  14  -7.700   8.589   1.107
  132    HB3  CYS  14          2HB       CYS  14  -5.995   8.679   1.506
  133    HA   PRO  15           HA       PRO  15  -6.568  11.096   5.561
  134    HB2  PRO  15          1HB       PRO  15  -3.936  11.684   5.765
  135    HB3  PRO  15          2HB       PRO  15  -4.617  10.374   6.739
  136    HG2  PRO  15          1HG       PRO  15  -3.168  10.213   4.073
  137    HG3  PRO  15          2HG       PRO  15  -2.940   9.223   5.522
  138    HD2  PRO  15          1HD       PRO  15  -4.472   8.366   3.397
  139    HD3  PRO  15          2HD       PRO  15  -4.830   7.877   5.058
  140    H    GLU  16           H        GLU  16  -6.243  13.396   5.287
  141    HA   GLU  16           HA       GLU  16  -6.808  14.099   2.694
  142    HB2  GLU  16          1HB       GLU  16  -7.341  15.450   4.660
  143    HB3  GLU  16          2HB       GLU  16  -5.608  15.738   4.950
  144    HG2  GLU  16          1HG       GLU  16  -5.511  17.040   2.762
  145    HG3  GLU  16          2HG       GLU  16  -7.234  16.629   2.605
  146    HE2  GLU  16           HE       GLU  16  -6.986  19.879   4.213
  147    H    GLY  17           H        GLY  17  -5.587  14.666   0.901
  148    HA2  GLY  17          1HA       GLY  17  -3.728  15.652  -0.109
  149    HA3  GLY  17          2HA       GLY  17  -2.751  15.292   1.300
  150    H    LYS  18           H        LYS  18  -4.087  12.460   1.337
  151    HA   LYS  18           HA       LYS  18  -2.185  11.298  -0.525
  152    HB2  LYS  18          1HB       LYS  18  -3.972  10.193   1.658
  153    HB3  LYS  18          2HB       LYS  18  -2.988   9.167   0.587
  154    HG2  LYS  18          1HG       LYS  18  -1.940   9.582   2.818
  155    HG3  LYS  18          2HG       LYS  18  -0.945  10.119   1.444
  156    HD2  LYS  18          1HD       LYS  18  -1.681  12.425   1.774
  157    HD3  LYS  18          2HD       LYS  18  -2.750  11.912   3.102
  158    HE2  LYS  18          1HE       LYS  18  -0.806  11.150   4.386
  159    HE3  LYS  18          2HE       LYS  18   0.271  11.637   3.057
  160    HZ1  LYS  18          1HZ       LYS  18   0.188  13.299   4.789
  161    HZ2  LYS  18          2HZ       LYS  18  -0.449  13.906   3.392
  162    H    ASN  19           H        ASN  19  -2.872   9.517  -1.995
  163    HA   ASN  19           HA       ASN  19  -5.584   9.776  -2.879
  164    HB2  ASN  19          1HB       ASN  19  -4.415  11.884  -3.959
  165    HB3  ASN  19          2HB       ASN  19  -3.349  10.553  -4.469
  166   HD21  ASN  19          1HD2      ASN  19  -6.711  11.477  -6.511
  167   HD22  ASN  19          2HD2      ASN  19  -6.223  12.313  -5.075
  168    H    LEU  20           H        LEU  20  -2.266   8.524  -3.025
  169    HA   LEU  20           HA       LEU  20  -3.021   6.447  -4.916
  170    HB2  LEU  20          1HB       LEU  20  -0.517   6.965  -3.438
  171    HB3  LEU  20          2HB       LEU  20  -0.572   5.897  -4.859
  172    HG   LEU  20           HG       LEU  20  -0.797   8.923  -4.758
  173   HD11  LEU  20          1HD1      LEU  20   1.105   8.788  -6.388
  174   HD12  LEU  20          2HD1      LEU  20   1.501   7.960  -4.863
  175   HD13  LEU  20          3HD1      LEU  20   1.037   7.013  -6.297
  176   HD21  LEU  20          1HD2      LEU  20  -1.258   8.867  -7.185
  177   HD22  LEU  20          2HD2      LEU  20  -1.376   7.093  -7.104
  178   HD23  LEU  20          3HD2      LEU  20  -2.546   8.104  -6.223
  179    H    CYS  21           H        CYS  21  -2.763   4.165  -4.399
  180    HA   CYS  21           HA       CYS  21  -2.884   3.679  -1.515
  181    HB2  CYS  21          1HB       CYS  21  -3.965   2.039  -3.812
  182    HB3  CYS  21          2HB       CYS  21  -3.951   1.510  -2.141
  183    H    TYR  22           H        TYR  22  -1.166   2.558  -0.620
  184    HA   TYR  22           HA       TYR  22   0.798   1.504  -2.540
  185    HB2  TYR  22          1HB       TYR  22   2.491   2.186  -1.126
  186    HB3  TYR  22          2HB       TYR  22   1.330   3.536  -1.114
  187    HD1  TYR  22          1HD       TYR  22   2.635   0.670   0.850
  188    HD2  TYR  22          2HD       TYR  22   0.217   4.181   0.908
  189    HE1  TYR  22          1HE       TYR  22   2.522   0.541   3.321
  190    HE2  TYR  22          2HE       TYR  22   0.093   4.069   3.374
  191    HH   TYR  22           HH       TYR  22   0.719   2.939   5.250
  192    H    LYS  23           H        LYS  23   1.810  -0.514  -2.115
  193    HA   LYS  23           HA       LYS  23   1.033  -1.804   0.392
  194    HB2  LYS  23          1HB       LYS  23   0.924  -3.956  -0.786
  195    HB3  LYS  23          2HB       LYS  23  -0.322  -2.818  -1.348
  196    HG2  LYS  23          1HG       LYS  23   0.916  -2.367  -3.372
  197    HG3  LYS  23          2HG       LYS  23   2.298  -3.325  -2.792
  198    HD2  LYS  23          1HD       LYS  23   0.894  -4.539  -4.455
  199    HD3  LYS  23          2HD       LYS  23   0.995  -5.362  -2.879
  200    HE2  LYS  23          1HE       LYS  23  -1.184  -4.487  -2.243
  201    HE3  LYS  23          2HE       LYS  23  -1.282  -3.560  -3.757
  202    HZ1  LYS  23          1HZ       LYS  23  -2.535  -5.605  -3.884
  203    HZ2  LYS  23          2HZ       LYS  23  -1.282  -5.642  -4.956
  204    H    MET  24           H        MET  24   2.687  -2.993   1.392
  205    HA   MET  24           HA       MET  24   5.278  -2.514   0.143
  206    HB2  MET  24          1HB       MET  24   4.478  -2.802   3.047
  207    HB3  MET  24          2HB       MET  24   6.153  -2.619   2.472
  208    HG2  MET  24          1HG       MET  24   5.428  -0.424   1.434
  209    HG3  MET  24          2HG       MET  24   3.897  -0.603   2.324
  210    HE1  MET  24          1HE       MET  24   4.977  -0.338   6.044
  211    HE2  MET  24          2HE       MET  24   3.621  -0.354   4.890
  212    HE3  MET  24          3HE       MET  24   4.646  -1.797   5.080
  213    H    PHE  25           H        PHE  25   6.720  -4.225  -0.148
  214    HA   PHE  25           HA       PHE  25   5.830  -6.814   0.913
  215    HB2  PHE  25          1HB       PHE  25   7.631  -6.021  -1.455
  216    HB3  PHE  25          2HB       PHE  25   7.265  -7.679  -1.016
  217    HD1  PHE  25          1HD       PHE  25   5.751  -4.535  -2.216
  218    HD2  PHE  25          2HD       PHE  25   5.291  -8.724  -1.772
  219    HE1  PHE  25          1HE       PHE  25   3.709  -4.467  -3.693
  220    HE2  PHE  25          2HE       PHE  25   3.258  -8.663  -3.243
  221    HZ   PHE  25           HZ       PHE  25   2.490  -6.536  -4.185
  222    H    MET  26           H        MET  26   7.693  -8.367   1.442
  223    HA   MET  26           HA       MET  26  10.142  -6.879   1.995
  224    HB2  MET  26          1HB       MET  26   9.070  -9.456   3.162
  225    HB3  MET  26          2HB       MET  26  10.692  -8.805   3.495
  226    HG2  MET  26          1HG       MET  26   9.693  -6.806   4.501
  227    HG3  MET  26          2HG       MET  26   8.066  -7.434   4.148
  228    HE1  MET  26          1HE       MET  26   8.301  -7.738   8.073
  229    HE2  MET  26          2HE       MET  26   8.999  -6.454   7.056
  230    HE3  MET  26          3HE       MET  26   7.372  -7.086   6.702
  231    H    MET  27           H        MET  27  12.172  -7.782   1.283
  232    HA   MET  27           HA       MET  27  12.072  -8.600  -1.281
  233    HB2  MET  27          1HB       MET  27  14.157  -8.875   0.870
  234    HB3  MET  27          2HB       MET  27  14.475  -9.435  -0.789
  235    HG2  MET  27          1HG       MET  27  13.770  -6.608   0.055
  236    HG3  MET  27          2HG       MET  27  15.381  -7.189  -0.430
  237    HE1  MET  27          1HE       MET  27  14.966  -7.904  -4.229
  238    HE2  MET  27          2HE       MET  27  16.099  -7.740  -2.866
  239    HE3  MET  27          3HE       MET  27  14.892  -9.050  -2.869
  240    H    SER  28           H        SER  28  12.004 -10.610   1.667
  241    HA   SER  28           HA       SER  28  12.398 -13.055   0.413
  242    HB2  SER  28          1HB       SER  28  12.494 -12.756   2.824
  243    HB3  SER  28          2HB       SER  28  10.776 -12.301   2.865
  244    HG   SER  28           HG       SER  28  11.129 -14.487   3.446
  245    H    ASP  29           H        ASP  29   9.275 -11.530   1.530
  246    HA   ASP  29           HA       ASP  29   7.903 -13.382  -0.203
  247    HB2  ASP  29          1HB       ASP  29   7.186 -13.055   2.248
  248    HB3  ASP  29          2HB       ASP  29   6.860 -11.391   1.704
  249    HD2  ASP  29           HD       ASP  29   3.764 -13.339   1.471
  250    H    LEU  30           H        LEU  30   8.574 -12.224  -2.231
  251    HA   LEU  30           HA       LEU  30   7.588  -9.559  -2.628
  252    HB2  LEU  30          1HB       LEU  30   8.971 -11.673  -4.045
  253    HB3  LEU  30          2HB       LEU  30   8.167 -10.541  -5.158
  254    HG   LEU  30           HG       LEU  30   9.715  -8.928  -4.828
  255   HD11  LEU  30          1HD1      LEU  30  10.685  -8.373  -2.582
  256   HD12  LEU  30          2HD1      LEU  30   8.912  -8.500  -2.507
  257   HD13  LEU  30          3HD1      LEU  30   9.927  -9.836  -1.911
  258   HD21  LEU  30          1HD2      LEU  30  11.964  -9.753  -4.222
  259   HD22  LEU  30          2HD2      LEU  30  11.226 -11.244  -3.586
  260   HD23  LEU  30          3HD2      LEU  30  11.100 -10.856  -5.319
  261    H    THR  31           H        THR  31   6.231 -12.713  -2.554
  262    HA   THR  31           HA       THR  31   4.472 -12.409  -4.791
  263    HB   THR  31           HB       THR  31   4.428 -14.351  -2.428
  264    HG1  THR  31          1HG       THR  31   5.401 -15.764  -3.999
  265   HG21  THR  31          1HG2      THR  31   3.007 -15.741  -3.893
  266   HG22  THR  31          2HG2      THR  31   2.243 -14.166  -3.567
  267   HG23  THR  31          3HG2      THR  31   3.034 -14.465  -5.132
  268    H    ILE  32           H        ILE  32   4.200 -12.028  -1.219
  269    HA   ILE  32           HA       ILE  32   1.555 -10.857  -1.713
  270    HB   ILE  32           HB       ILE  32   2.412 -12.772   0.506
  271   HG12  ILE  32          1HG1      ILE  32   1.767 -13.814  -1.573
  272   HG13  ILE  32          2HG1      ILE  32   0.628 -14.158  -0.251
  273   HG21  ILE  32          1HG2      ILE  32   0.160 -12.412   1.461
  274   HG22  ILE  32          2HG2      ILE  32   1.100 -10.903   1.452
  275   HG23  ILE  32          3HG2      ILE  32  -0.165 -11.171   0.229
  276   HD11  ILE  32          1HD1      ILE  32  -0.564 -13.743  -2.366
  277   HD12  ILE  32          2HD1      ILE  32  -0.937 -12.486  -1.162
  278   HD13  ILE  32          3HD1      ILE  32   0.203 -12.144  -2.486
  279    HA   PRO  33           HA       PRO  33   3.433  -7.571   0.456
  280    HB2  PRO  33          1HB       PRO  33   1.371  -5.799   0.445
  281    HB3  PRO  33          2HB       PRO  33   2.307  -6.090  -1.028
  282    HG2  PRO  33          1HG       PRO  33  -0.327  -7.331  -0.165
  283    HG3  PRO  33          2HG       PRO  33   0.131  -6.685  -1.747
  284    HD2  PRO  33          1HD       PRO  33   0.207  -9.378  -1.222
  285    HD3  PRO  33          2HD       PRO  33   1.359  -8.626  -2.333
  286    H    VAL  34           H        VAL  34   3.208  -6.294   2.490
  287    HA   VAL  34           HA       VAL  34   2.050  -8.266   4.336
  288    HB   VAL  34           HB       VAL  34   3.922  -7.717   5.859
  289   HG11  VAL  34          1HG1      VAL  34   5.769  -8.712   4.550
  290   HG12  VAL  34          2HG1      VAL  34   4.235  -9.556   4.235
  291   HG13  VAL  34          3HG1      VAL  34   4.874  -8.396   3.046
  292   HG21  VAL  34          1HG2      VAL  34   5.779  -6.311   5.121
  293   HG22  VAL  34          2HG2      VAL  34   4.884  -5.910   3.636
  294   HG23  VAL  34          3HG2      VAL  34   4.253  -5.403   5.222
  295    H    LYS  35           H        LYS  35   2.313  -4.913   3.335
  296    HA   LYS  35           HA       LYS  35   0.291  -4.266   5.301
  297    HB2  LYS  35          1HB       LYS  35   2.970  -2.879   5.060
  298    HB3  LYS  35          2HB       LYS  35   1.541  -2.101   5.780
  299    HG2  LYS  35          1HG       LYS  35   1.466  -4.110   7.378
  300    HG3  LYS  35          2HG       LYS  35   3.107  -4.482   6.798
  301    HD2  LYS  35          1HD       LYS  35   3.473  -3.194   8.729
  302    HD3  LYS  35          2HD       LYS  35   3.665  -2.036   7.391
  303    HE2  LYS  35          1HE       LYS  35   1.449  -1.168   7.733
  304    HE3  LYS  35          2HE       LYS  35   1.080  -2.441   8.918
  305    HZ1  LYS  35          1HZ       LYS  35   1.622  -0.360   9.988
  306    HZ2  LYS  35          2HZ       LYS  35   2.759  -1.498  10.357
  307    H    ARG  36           H        ARG  36  -1.063  -2.534   4.631
  308    HA   ARG  36           HA       ARG  36  -0.366  -1.333   2.107
  309    HB2  ARG  36          1HB       ARG  36  -2.876  -2.908   2.498
  310    HB3  ARG  36          2HB       ARG  36  -2.574  -1.782   1.154
  311    HG2  ARG  36          1HG       ARG  36  -1.878  -3.645   0.081
  312    HG3  ARG  36          2HG       ARG  36  -0.370  -3.351   0.981
  313    HD2  ARG  36          1HD       ARG  36  -0.978  -5.651   1.101
  314    HD3  ARG  36          2HD       ARG  36  -1.127  -4.893   2.704
  315    HE   ARG  36           HE       ARG  36  -3.566  -5.340   2.565
  316   HH11  ARG  36          1HH       ARG  36  -3.372  -6.942  -1.029
  317   HH21  ARG  36          1HH2      ARG  36  -5.211  -6.326   1.975
  318   HH22  ARG  36          2HH2      ARG  36  -5.265  -7.094   0.400
  319    H    GLY  37           H        GLY  37  -1.520   0.697   1.726
  320    HA2  GLY  37          1HA       GLY  37  -3.559   1.640   3.455
  321    HA3  GLY  37          2HA       GLY  37  -1.996   2.216   3.998
  322    H    CYS  38           H        CYS  38  -2.972   4.388   3.434
  323    HA   CYS  38           HA       CYS  38  -3.004   4.861   0.559
  324    HB2  CYS  38          1HB       CYS  38  -3.831   6.380   3.142
  325    HB3  CYS  38          2HB       CYS  38  -4.104   7.045   1.513
  326    H    ILE  39           H        ILE  39  -1.694   6.662  -0.311
  327    HA   ILE  39           HA       ILE  39  -0.112   8.190   1.506
  328    HB   ILE  39           HB       ILE  39   1.295   6.085   1.153
  329   HG12  ILE  39          1HG1      ILE  39   2.629   8.451  -0.090
  330   HG13  ILE  39          2HG1      ILE  39   2.088   8.479   1.605
  331   HG21  ILE  39          1HG2      ILE  39   2.394   5.834  -1.047
  332   HG22  ILE  39          2HG2      ILE  39   0.630   5.653  -1.189
  333   HG23  ILE  39          3HG2      ILE  39   1.411   7.170  -1.692
  334   HD11  ILE  39          1HD1      ILE  39   4.463   7.849   1.440
  335   HD12  ILE  39          2HD1      ILE  39   3.487   6.508   2.085
  336   HD13  ILE  39          3HD1      ILE  39   4.028   6.481   0.390
  337    H    ASP  40           H        ASP  40   1.101   9.934   0.300
  338    HA   ASP  40           HA       ASP  40  -0.621  10.754  -1.844
  339    HB2  ASP  40          1HB       ASP  40   0.574  13.003  -1.523
  340    HB3  ASP  40          2HB       ASP  40  -0.310  12.226  -0.187
  341    HD2  ASP  40           HD       ASP  40   3.071  13.340   0.889
  342    H    VAL  41           H        VAL  41   2.923  10.349  -1.117
  343    HA   VAL  41           HA       VAL  41   3.400  10.287  -4.018
  344    HB   VAL  41           HB       VAL  41   5.272  11.134  -1.754
  345   HG11  VAL  41          1HG1      VAL  41   6.832  11.739  -3.575
  346   HG12  VAL  41          2HG1      VAL  41   6.463   9.999  -3.600
  347   HG13  VAL  41          3HG1      VAL  41   5.687  11.091  -4.771
  348   HG21  VAL  41          1HG2      VAL  41   5.158  13.357  -2.759
  349   HG22  VAL  41          2HG2      VAL  41   3.953  12.766  -3.927
  350   HG23  VAL  41          3HG2      VAL  41   3.568  12.799  -2.190
  351    H    CYS  42           H        CYS  42   4.167   8.401  -4.845
  352    HA   CYS  42           HA       CYS  42   4.300   6.180  -3.114
  353    HB2  CYS  42          1HB       CYS  42   3.462   6.058  -5.414
  354    HB3  CYS  42          2HB       CYS  42   5.058   6.435  -6.033
  355    HA   PRO  43           HA       PRO  43   8.557   6.787  -2.173
  356    HB2  PRO  43          1HB       PRO  43   8.881   4.781  -0.355
  357    HB3  PRO  43          2HB       PRO  43   8.043   6.273   0.092
  358    HG2  PRO  43          1HG       PRO  43   6.873   3.626  -0.818
  359    HG3  PRO  43          2HG       PRO  43   6.343   4.684   0.497
  360    HD2  PRO  43          1HD       PRO  43   5.098   4.696  -1.953
  361    HD3  PRO  43          2HD       PRO  43   5.211   6.162  -0.970
  362    H    LYS  44           H        LYS  44  10.548   6.115  -2.891
  363    HA   LYS  44           HA       LYS  44  10.396   4.187  -4.954
  364    HB2  LYS  44          1HB       LYS  44  12.719   5.521  -3.537
  365    HB3  LYS  44          2HB       LYS  44  12.889   4.470  -4.962
  366    HG2  LYS  44          1HG       LYS  44  11.542   6.040  -6.290
  367    HG3  LYS  44          2HG       LYS  44  11.347   7.086  -4.864
  368    HD2  LYS  44          1HD       LYS  44  13.761   7.464  -4.778
  369    HD3  LYS  44          2HD       LYS  44  13.999   6.362  -6.156
  370    HE2  LYS  44          1HE       LYS  44  12.655   7.847  -7.580
  371    HE3  LYS  44          2HE       LYS  44  12.417   8.950  -6.205
  372    HZ1  LYS  44          1HZ       LYS  44  14.188   9.695  -7.646
  373    HZ2  LYS  44          2HZ       LYS  44  14.793   9.305  -6.162
  374    H    ASN  45           H        ASN  45  11.880   2.228  -5.057
  375    HA   ASN  45           HA       ASN  45  11.030   0.614  -2.928
  376    HB2  ASN  45          1HB       ASN  45  12.814  -0.235  -5.327
  377    HB3  ASN  45          2HB       ASN  45  12.155  -1.045  -3.885
  378   HD21  ASN  45          1HD2      ASN  45   9.969  -1.238  -7.018
  379   HD22  ASN  45          2HD2      ASN  45  11.690  -1.314  -6.841
  380    H    SER  46           H        SER  46  12.403  -0.551  -1.375
  381    HA   SER  46           HA       SER  46  15.040   0.658  -1.102
  382    HB2  SER  46          1HB       SER  46  14.851   0.202   1.287
  383    HB3  SER  46          2HB       SER  46  13.448   1.139   0.725
  384    HG   SER  46           HG       SER  46  12.271  -0.814   0.682
  385    H    LEU  47           H        LEU  47  16.449  -1.025   0.436
  386    HA   LEU  47           HA       LEU  47  16.795  -3.245  -1.340
  387    HB2  LEU  47          1HB       LEU  47  18.030  -2.351   1.192
  388    HB3  LEU  47          2HB       LEU  47  18.746  -3.720   0.313
  389    HG   LEU  47           HG       LEU  47  18.541  -0.845  -0.661
  390   HD11  LEU  47          1HD1      LEU  47  21.045  -0.909  -0.540
  391   HD12  LEU  47          2HD1      LEU  47  20.314  -1.209   1.054
  392   HD13  LEU  47          3HD1      LEU  47  20.957  -2.566   0.100
  393   HD21  LEU  47          1HD2      LEU  47  19.847  -1.614  -2.612
  394   HD22  LEU  47          2HD2      LEU  47  19.728  -3.286  -2.010
  395   HD23  LEU  47          3HD2      LEU  47  18.257  -2.408  -2.493
  396    H    LEU  48           H        LEU  48  15.095  -2.600   1.642
  397    HA   LEU  48           HA       LEU  48  15.210  -5.420   2.396
  398    HB2  LEU  48          1HB       LEU  48  14.234  -2.941   3.676
  399    HB3  LEU  48          2HB       LEU  48  14.114  -4.485   4.552
  400    HG   LEU  48           HG       LEU  48  16.661  -3.043   3.718
  401   HD11  LEU  48          1HD1      LEU  48  17.050  -2.891   6.192
  402   HD12  LEU  48          2HD1      LEU  48  15.536  -2.081   5.724
  403   HD13  LEU  48          3HD1      LEU  48  15.487  -3.696   6.471
  404   HD21  LEU  48          1HD2      LEU  48  17.862  -4.858   4.888
  405   HD22  LEU  48          2HD2      LEU  48  16.312  -5.700   5.134
  406   HD23  LEU  48          3HD2      LEU  48  16.932  -5.441   3.486
  407    H    VAL  49           H        VAL  49  12.897  -2.723   1.712
  408    HA   VAL  49           HA       VAL  49  10.842  -4.790   1.340
  409    HB   VAL  49           HB       VAL  49   9.192  -3.063   2.159
  410   HG11  VAL  49          1HG1      VAL  49   9.719  -3.332   4.559
  411   HG12  VAL  49          2HG1      VAL  49  10.003  -4.844   3.668
  412   HG13  VAL  49          3HG1      VAL  49  11.378  -3.818   4.140
  413   HG21  VAL  49          1HG2      VAL  49  10.011  -1.151   3.441
  414   HG22  VAL  49          2HG2      VAL  49  11.681  -1.560   2.982
  415   HG23  VAL  49          3HG2      VAL  49  10.507  -1.073   1.735
  416    H    LYS  50           H        LYS  50   9.338  -4.412  -0.365
  417    HA   LYS  50           HA       LYS  50  10.287  -2.389  -2.260
  418    HB2  LYS  50          1HB       LYS  50  10.327  -4.695  -3.055
  419    HB3  LYS  50          2HB       LYS  50   8.617  -4.897  -2.606
  420    HG2  LYS  50          1HG       LYS  50   7.990  -3.197  -4.289
  421    HG3  LYS  50          2HG       LYS  50   9.700  -3.040  -4.754
  422    HD2  LYS  50          1HD       LYS  50   9.747  -5.405  -5.417
  423    HD3  LYS  50          2HD       LYS  50   8.044  -5.579  -4.934
  424    HE2  LYS  50          1HE       LYS  50   7.412  -3.873  -6.607
  425    HE3  LYS  50          2HE       LYS  50   9.114  -3.759  -7.112
  426    HZ1  LYS  50          1HZ       LYS  50   7.854  -5.207  -8.554
  427    HZ2  LYS  50          2HZ       LYS  50   9.011  -6.071  -7.756
  428    H    TYR  51           H        TYR  51   8.803  -0.949  -3.259
  429    HA   TYR  51           HA       TYR  51   6.264  -0.747  -1.784
  430    HB2  TYR  51          1HB       TYR  51   8.067   1.394  -2.918
  431    HB3  TYR  51          2HB       TYR  51   6.441   1.679  -2.251
  432    HD1  TYR  51          1HD       TYR  51   9.947   0.977  -1.458
  433    HD2  TYR  51          2HD       TYR  51   6.031   1.418   0.168
  434    HE1  TYR  51          1HE       TYR  51  10.921   1.178   0.811
  435    HE2  TYR  51          2HE       TYR  51   6.984   1.621   2.439
  436    HH   TYR  51           HH       TYR  51   8.881   1.646   3.700
  437    H    VAL  52           H        VAL  52   4.432  -0.924  -2.983
  438    HA   VAL  52           HA       VAL  52   4.636  -0.114  -5.799
  439    HB   VAL  52           HB       VAL  52   2.920  -2.354  -4.626
  440   HG11  VAL  52          1HG1      VAL  52   2.296  -2.784  -6.980
  441   HG12  VAL  52          2HG1      VAL  52   1.811  -1.147  -6.477
  442   HG13  VAL  52          3HG1      VAL  52   3.255  -1.376  -7.492
  443   HG21  VAL  52          1HG2      VAL  52   4.283  -3.857  -5.989
  444   HG22  VAL  52          2HG2      VAL  52   5.314  -2.487  -6.465
  445   HG23  VAL  52          3HG2      VAL  52   5.251  -3.004  -4.763
  446    H    CYS  53           H        CYS  53   3.171   1.415  -6.444
  447    HA   CYS  53           HA       CYS  53   0.979   1.937  -4.570
  448    HB2  CYS  53          1HB       CYS  53   2.322   4.016  -6.294
  449    HB3  CYS  53          2HB       CYS  53   1.119   4.275  -5.047
  450    H    CYS  54           H        CYS  54  -1.063   2.581  -5.610
  451    HA   CYS  54           HA       CYS  54  -1.051   2.654  -8.499
  452    HB2  CYS  54          1HB       CYS  54  -3.107   1.151  -8.526
  453    HB3  CYS  54          2HB       CYS  54  -1.533   0.395  -8.381
  454    H    ASN  55           H        ASN  55  -3.033   3.817  -9.297
  455    HA   ASN  55           HA       ASN  55  -3.383   5.810  -7.225
  456    HB2  ASN  55          1HB       ASN  55  -3.368   7.511  -9.110
  457    HB3  ASN  55          2HB       ASN  55  -2.157   6.209  -9.029
  458   HD21  ASN  55          1HD2      ASN  55  -3.398   6.753 -12.526
  459   HD22  ASN  55          2HD2      ASN  55  -2.802   7.813 -11.290
  460    H    THR  56           H        THR  56  -5.151   3.411  -7.497
  461    HA   THR  56           HA       THR  56  -7.660   4.893  -7.827
  462    HB   THR  56           HB       THR  56  -8.692   2.813  -8.771
  463    HG1  THR  56          1HG       THR  56  -5.976   1.920  -8.916
  464   HG21  THR  56          1HG2      THR  56  -7.719   2.975 -11.035
  465   HG22  THR  56          2HG2      THR  56  -7.923   4.588 -10.308
  466   HG23  THR  56          3HG2      THR  56  -6.312   3.836 -10.370
  467    H    ASP  57           H        ASP  57  -9.532   3.390  -6.878
  468    HA   ASP  57           HA       ASP  57  -8.729   3.384  -4.162
  469    HB2  ASP  57          1HB       ASP  57 -11.461   2.904  -5.479
  470    HB3  ASP  57          2HB       ASP  57 -11.028   2.810  -3.754
  471    HD2  ASP  57           HD       ASP  57 -11.608   6.356  -5.264
  472    H    ARG  58           H        ARG  58  -8.402   1.536  -2.836
  473    HA   ARG  58           HA       ARG  58  -8.205  -0.532  -2.234
  474    HB2  ARG  58          1HB       ARG  58 -10.742  -0.903  -3.776
  475    HB3  ARG  58          2HB       ARG  58 -10.052  -2.064  -2.619
  476    HG2  ARG  58          1HG       ARG  58 -10.197  -0.260  -0.866
  477    HG3  ARG  58          2HG       ARG  58 -11.101   0.720  -2.046
  478    HD2  ARG  58          1HD       ARG  58 -12.604  -0.324  -0.532
  479    HD3  ARG  58          2HD       ARG  58 -12.795  -1.032  -2.153
  480    HE   ARG  58           HE       ARG  58 -11.120  -2.758  -0.459
  481   HH11  ARG  58          1HH       ARG  58 -15.013  -3.368  -0.498
  482   HH21  ARG  58          1HH2      ARG  58 -11.713  -4.557   0.201
  483   HH22  ARG  58          2HH2      ARG  58 -13.417  -4.970   0.234
  484    H    CYS  59           H        CYS  59  -6.741   0.213  -4.640
  485    HA   CYS  59           HA       CYS  59  -7.059  -1.996  -6.466
  486    HB2  CYS  59          1HB       CYS  59  -5.257  -0.548  -7.641
  487    HB3  CYS  59          2HB       CYS  59  -6.611   0.467  -7.087
  488    H    ASN  60           H        ASN  60  -5.119  -0.943  -3.707
  489    HA   ASN  60           HA       ASN  60  -3.084  -2.893  -4.280
  490    HB2  ASN  60          1HB       ASN  60  -1.927  -1.941  -2.329
  491    HB3  ASN  60          2HB       ASN  60  -2.510  -0.623  -3.326
  492   HD21  ASN  60          1HD2      ASN  60  -1.921   0.016  -0.855
  493   HD22  ASN  60          2HD2      ASN  60  -3.315   0.264   0.143
  Start of MODEL    6
    1    H1   MET   0          1H        MET   0 -12.827  12.067   1.441
    2    H2   MET   0          2H        MET   0 -12.303  12.645   0.159
    3    H    MET   0           H        MET   0 -13.089  11.316   0.132
    4    H3   MET   0          3H        MET   0 -13.132  11.395   0.135
    5    HA   MET   0           HA       MET   0 -10.350  11.526   0.255
    6    HB2  MET   0          1HB       MET   0 -11.666  10.360   2.716
    7    HB3  MET   0          2HB       MET   0  -9.969  10.053   2.275
    8    HG2  MET   0          1HG       MET   0  -9.420  12.385   2.518
    9    HG3  MET   0          2HG       MET   0 -11.133  12.811   2.754
   10    HE1  MET   0          1HE       MET   0  -9.691  13.537   6.318
   11    HE2  MET   0          2HE       MET   0  -8.927  13.864   4.742
   12    HE3  MET   0          3HE       MET   0 -10.670  14.155   4.965
   13    H    LEU   1           H        LEU   1  -9.273   9.420  -0.187
   14    HA   LEU   1           HA       LEU   1 -11.118   7.778  -1.685
   15    HB2  LEU   1          1HB       LEU   1  -8.191   7.841  -1.285
   16    HB3  LEU   1          2HB       LEU   1  -8.888   6.709  -2.467
   17    HG   LEU   1           HG       LEU   1  -8.863   9.747  -2.590
   18   HD11  LEU   1          1HD1      LEU   1  -7.608   9.345  -4.725
   19   HD12  LEU   1          2HD1      LEU   1  -6.768   8.618  -3.335
   20   HD13  LEU   1          3HD1      LEU   1  -7.714   7.593  -4.439
   21   HD21  LEU   1          1HD2      LEU   1 -10.096   9.526  -4.719
   22   HD22  LEU   1          2HD2      LEU   1 -10.253   7.776  -4.426
   23   HD23  LEU   1          3HD2      LEU   1 -11.028   8.938  -3.321
   24    H    LYS   2           H        LYS   2 -10.227   5.263  -1.667
   25    HA   LYS   2           HA       LYS   2  -9.928   4.511   1.150
   26    HB2  LYS   2          1HB       LYS   2 -11.356   2.507   0.560
   27    HB3  LYS   2          2HB       LYS   2 -12.202   4.065   0.716
   28    HG2  LYS   2          1HG       LYS   2 -12.217   4.289  -1.746
   29    HG3  LYS   2          2HG       LYS   2 -11.413   2.708  -1.884
   30    HD2  LYS   2          1HD       LYS   2 -13.328   1.640  -0.751
   31    HD3  LYS   2          2HD       LYS   2 -14.134   3.222  -0.636
   32    HE2  LYS   2          1HE       LYS   2 -14.089   3.388  -3.112
   33    HE3  LYS   2          2HE       LYS   2 -13.372   1.763  -3.184
   34    HZ1  LYS   2          1HZ       LYS   2 -15.750   1.703  -3.519
   35    HZ2  LYS   2          2HZ       LYS   2 -15.354   0.912  -2.126
   36    H    CYS   3           H        CYS   3  -8.331   3.025   1.526
   37    HA   CYS   3           HA       CYS   3  -7.370   1.571  -0.828
   38    HB2  CYS   3          1HB       CYS   3  -5.688   2.614   1.460
   39    HB3  CYS   3          2HB       CYS   3  -5.112   1.618   0.140
   40    H    ASN   4           H        ASN   4  -6.067  -0.496   0.030
   41    HA   ASN   4           HA       ASN   4  -8.091  -1.758   1.651
   42    HB2  ASN   4          1HB       ASN   4  -6.043  -3.101  -0.258
   43    HB3  ASN   4          2HB       ASN   4  -7.103  -3.702   1.042
   44   HD21  ASN   4          1HD2      ASN   4  -8.600  -3.536  -2.521
   45   HD22  ASN   4          2HD2      ASN   4  -6.959  -3.819  -2.045
   46    H    LYS   5           H        LYS   5  -7.561  -2.891   3.617
   47    HA   LYS   5           HA       LYS   5  -5.002  -2.313   4.779
   48    HB2  LYS   5          1HB       LYS   5  -7.352  -4.007   5.672
   49    HB3  LYS   5          2HB       LYS   5  -5.909  -3.678   6.659
   50    HG2  LYS   5          1HG       LYS   5  -6.441  -1.351   6.818
   51    HG3  LYS   5          2HG       LYS   5  -7.721  -1.497   5.590
   52    HD2  LYS   5          1HD       LYS   5  -8.677  -1.358   7.848
   53    HD3  LYS   5          2HD       LYS   5  -9.021  -2.933   7.096
   54    HE2  LYS   5          1HE       LYS   5  -7.160  -3.941   8.338
   55    HE3  LYS   5          2HE       LYS   5  -6.796  -2.366   9.079
   56    HZ1  LYS   5          1HZ       LYS   5  -8.097  -3.757  10.542
   57    HZ2  LYS   5          2HZ       LYS   5  -8.965  -2.422  10.110
   58    H    LEU   6           H        LEU   6  -3.929  -4.347   5.989
   59    HA   LEU   6           HA       LEU   6  -3.002  -6.202   4.183
   60    HB2  LEU   6          1HB       LEU   6  -2.056  -5.759   6.239
   61    HB3  LEU   6          2HB       LEU   6  -3.391  -6.397   7.226
   62    HG   LEU   6           HG       LEU   6  -2.958  -8.660   6.264
   63   HD11  LEU   6          1HD1      LEU   6  -0.774  -9.035   5.088
   64   HD12  LEU   6          2HD1      LEU   6  -1.816  -7.919   4.175
   65   HD13  LEU   6          3HD1      LEU   6  -0.462  -7.284   5.140
   66   HD21  LEU   6          1HD2      LEU   6  -0.916  -9.114   7.577
   67   HD22  LEU   6          2HD2      LEU   6  -0.613  -7.362   7.680
   68   HD23  LEU   6          3HD2      LEU   6  -2.064  -8.061   8.437
   69    H    VAL   7           H        VAL   7  -5.923  -6.299   6.302
   70    HA   VAL   7           HA       VAL   7  -6.801  -8.767   5.152
   71    HB   VAL   7           HB       VAL   7  -8.275  -6.613   6.737
   72   HG11  VAL   7          1HG1      VAL   7 -10.006  -8.344   7.076
   73   HG12  VAL   7          2HG1      VAL   7  -9.817  -7.959   5.350
   74   HG13  VAL   7          3HG1      VAL   7  -9.108  -9.452   6.012
   75   HG21  VAL   7          1HG2      VAL   7  -8.085  -8.166   8.614
   76   HG22  VAL   7          2HG2      VAL   7  -7.119  -9.267   7.604
   77   HG23  VAL   7          3HG2      VAL   7  -6.494  -7.650   8.009
   78    HA   PRO   8           HA       PRO   8  -7.852  -6.800   1.510
   79    HB2  PRO   8          1HB       PRO   8  -8.553  -8.960  -0.011
   80    HB3  PRO   8          2HB       PRO   8  -6.864  -8.667   0.427
   81    HG2  PRO   8          1HG       PRO   8  -8.904 -10.458   1.789
   82    HG3  PRO   8          2HG       PRO   8  -7.217 -10.804   1.383
   83    HD2  PRO   8          1HD       PRO   8  -7.928 -10.067   3.915
   84    HD3  PRO   8          2HD       PRO   8  -6.378  -9.564   3.231
   85    H    ILE   9           H        ILE   9 -10.091  -8.009   3.579
   86    HA   ILE   9           HA       ILE   9 -12.255  -7.138   1.790
   87    HB   ILE   9           HB       ILE   9 -13.752  -8.471   3.305
   88   HG12  ILE   9          1HG1      ILE   9 -11.222  -9.521   4.534
   89   HG13  ILE   9          2HG1      ILE   9 -12.223  -8.240   5.255
   90   HG21  ILE   9          1HG2      ILE   9 -13.020 -10.711   2.558
   91   HG22  ILE   9          2HG2      ILE   9 -12.850  -9.514   1.253
   92   HG23  ILE   9          3HG2      ILE   9 -11.416 -10.053   2.157
   93   HD11  ILE   9          1HD1      ILE   9 -12.736 -10.435   6.250
   94   HD12  ILE   9          2HD1      ILE   9 -14.135  -9.790   5.358
   95   HD13  ILE   9          3HD1      ILE   9 -13.135 -11.072   4.638
   96    H    ALA  10           H        ALA  10 -10.297  -5.600   3.619
   97    HA   ALA  10           HA       ALA  10 -12.420  -4.006   4.804
   98    HB1  ALA  10          1HB       ALA  10 -11.654  -5.492   6.619
   99    HB2  ALA  10          2HB       ALA  10  -9.974  -4.975   6.337
  100    HB3  ALA  10          3HB       ALA  10 -11.177  -3.806   6.930
  101    H    TYR  11           H        TYR  11 -12.070  -1.834   4.483
  102    HA   TYR  11           HA       TYR  11  -9.411  -1.123   3.439
  103    HB2  TYR  11          1HB       TYR  11 -10.514   0.524   2.058
  104    HB3  TYR  11          2HB       TYR  11 -11.104  -1.120   1.711
  105    HD1  TYR  11          1HD       TYR  11 -11.986   2.182   3.065
  106    HD2  TYR  11          2HD       TYR  11 -13.392  -1.769   2.292
  107    HE1  TYR  11          1HE       TYR  11 -14.315   2.948   3.427
  108    HE2  TYR  11          2HE       TYR  11 -15.720  -1.021   2.650
  109    HH   TYR  11           HH       TYR  11 -17.091   0.726   3.152
  110    H    LYS  12           H        LYS  12  -8.701   1.111   3.863
  111    HA   LYS  12           HA       LYS  12 -10.138   2.321   6.124
  112    HB2  LYS  12          1HB       LYS  12  -7.213   2.357   5.340
  113    HB3  LYS  12          2HB       LYS  12  -7.920   3.459   6.546
  114    HG2  LYS  12          1HG       LYS  12  -8.596   1.491   7.903
  115    HG3  LYS  12          2HG       LYS  12  -7.796   0.430   6.721
  116    HD2  LYS  12          1HD       LYS  12  -5.642   1.431   7.196
  117    HD3  LYS  12          2HD       LYS  12  -6.398   2.643   8.257
  118    HE2  LYS  12          1HE       LYS  12  -7.168   0.818   9.747
  119    HE3  LYS  12          2HE       LYS  12  -6.325  -0.356   8.709
  120    HZ1  LYS  12          1HZ       LYS  12  -5.002   0.253  10.618
  121    HZ2  LYS  12          2HZ       LYS  12  -4.263   0.759   9.233
  122    H    THR  13           H        THR  13 -10.496   4.602   6.063
  123    HA   THR  13           HA       THR  13 -10.489   5.768   3.432
  124    HB   THR  13           HB       THR  13 -11.066   6.977   6.180
  125    HG1  THR  13          1HG       THR  13 -13.268   6.663   5.497
  126   HG21  THR  13          1HG2      THR  13 -12.230   8.738   4.898
  127   HG22  THR  13          2HG2      THR  13 -10.504   8.666   4.467
  128   HG23  THR  13          3HG2      THR  13 -11.724   7.965   3.377
  129    H    CYS  14           H        CYS  14  -9.050   7.138   2.519
  130    HA   CYS  14           HA       CYS  14  -6.476   7.074   3.672
  131    HB2  CYS  14          1HB       CYS  14  -7.941   8.430   1.298
  132    HB3  CYS  14          2HB       CYS  14  -6.174   8.565   1.479
  133    HA   PRO  15           HA       PRO  15  -6.595  10.996   5.682
  134    HB2  PRO  15          1HB       PRO  15  -3.979  11.648   5.882
  135    HB3  PRO  15          2HB       PRO  15  -4.628  10.321   6.856
  136    HG2  PRO  15          1HG       PRO  15  -3.171  10.196   4.195
  137    HG3  PRO  15          2HG       PRO  15  -2.933   9.204   5.639
  138    HD2  PRO  15          1HD       PRO  15  -4.444   8.339   3.497
  139    HD3  PRO  15          2HD       PRO  15  -4.785   7.820   5.152
  140    H    GLU  16           H        GLU  16  -6.336  13.303   5.415
  141    HA   GLU  16           HA       GLU  16  -6.902  13.997   2.816
  142    HB2  GLU  16          1HB       GLU  16  -7.502  15.319   4.780
  143    HB3  GLU  16          2HB       GLU  16  -5.784  15.660   5.096
  144    HG2  GLU  16          1HG       GLU  16  -5.698  16.977   2.916
  145    HG3  GLU  16          2HG       GLU  16  -7.405  16.512   2.733
  146    HE2  GLU  16           HE       GLU  16  -7.286  19.759   4.360
  147    H    GLY  17           H        GLY  17  -5.678  14.649   1.045
  148    HA2  GLY  17          1HA       GLY  17  -3.839  15.737   0.096
  149    HA3  GLY  17          2HA       GLY  17  -2.865  15.348   1.500
  150    H    LYS  18           H        LYS  18  -4.170  12.483   1.378
  151    HA   LYS  18           HA       LYS  18  -2.196  11.441  -0.479
  152    HB2  LYS  18          1HB       LYS  18  -4.027  10.188   1.584
  153    HB3  LYS  18          2HB       LYS  18  -2.964   9.248   0.510
  154    HG2  LYS  18          1HG       LYS  18  -2.013   9.576   2.789
  155    HG3  LYS  18          2HG       LYS  18  -0.993  10.245   1.493
  156    HD2  LYS  18          1HD       LYS  18  -2.893  12.228   2.406
  157    HD3  LYS  18          2HD       LYS  18  -1.975  11.576   3.784
  158    HE2  LYS  18          1HE       LYS  18   0.111  11.936   2.320
  159    HE3  LYS  18          2HE       LYS  18  -0.939  12.944   1.299
  160    HZ1  LYS  18          1HZ       LYS  18   0.228  14.253   2.939
  161    HZ2  LYS  18          2HZ       LYS  18  -1.396  14.306   3.225
  162    H    ASN  19           H        ASN  19  -2.841   9.660  -2.011
  163    HA   ASN  19           HA       ASN  19  -5.492  10.080  -3.036
  164    HB2  ASN  19          1HB       ASN  19  -4.161  12.133  -4.003
  165    HB3  ASN  19          2HB       ASN  19  -3.098  10.769  -4.429
  166   HD21  ASN  19          1HD2      ASN  19  -4.497  10.542  -7.552
  167   HD22  ASN  19          2HD2      ASN  19  -3.101  10.568  -6.527
  168    H    LEU  20           H        LEU  20  -2.232   8.647  -3.067
  169    HA   LEU  20           HA       LEU  20  -3.073   6.602  -4.965
  170    HB2  LEU  20          1HB       LEU  20  -0.540   7.014  -3.502
  171    HB3  LEU  20          2HB       LEU  20  -0.653   5.952  -4.926
  172    HG   LEU  20           HG       LEU  20  -0.756   8.986  -4.826
  173   HD11  LEU  20          1HD1      LEU  20   1.154   8.779  -6.438
  174   HD12  LEU  20          2HD1      LEU  20   1.507   7.943  -4.909
  175   HD13  LEU  20          3HD1      LEU  20   1.022   7.008  -6.344
  176   HD21  LEU  20          1HD2      LEU  20  -1.199   8.939  -7.255
  177   HD22  LEU  20          2HD2      LEU  20  -1.380   7.169  -7.170
  178   HD23  LEU  20          3HD2      LEU  20  -2.521   8.224  -6.302
  179    H    CYS  21           H        CYS  21  -2.867   4.299  -4.415
  180    HA   CYS  21           HA       CYS  21  -2.830   3.848  -1.524
  181    HB2  CYS  21          1HB       CYS  21  -3.868   2.073  -3.740
  182    HB3  CYS  21          2HB       CYS  21  -3.825   1.645  -2.041
  183    H    TYR  22           H        TYR  22  -1.242   2.420  -0.670
  184    HA   TYR  22           HA       TYR  22   0.772   1.528  -2.624
  185    HB2  TYR  22          1HB       TYR  22   2.490   2.175  -1.205
  186    HB3  TYR  22          2HB       TYR  22   1.355   3.547  -1.225
  187    HD1  TYR  22          1HD       TYR  22   2.633   0.722   0.803
  188    HD2  TYR  22          2HD       TYR  22   0.207   4.230   0.775
  189    HE1  TYR  22          1HE       TYR  22   2.506   0.645   3.277
  190    HE2  TYR  22          2HE       TYR  22   0.070   4.168   3.242
  191    HH   TYR  22           HH       TYR  22   0.688   3.080   5.145
  192    H    LYS  23           H        LYS  23   1.805  -0.487  -2.204
  193    HA   LYS  23           HA       LYS  23   1.032  -1.784   0.304
  194    HB2  LYS  23          1HB       LYS  23   0.971  -3.938  -0.884
  195    HB3  LYS  23          2HB       LYS  23  -0.298  -2.818  -1.432
  196    HG2  LYS  23          1HG       LYS  23   0.932  -2.324  -3.457
  197    HG3  LYS  23          2HG       LYS  23   2.324  -3.279  -2.890
  198    HD2  LYS  23          1HD       LYS  23   0.895  -4.468  -4.569
  199    HD3  LYS  23          2HD       LYS  23   1.060  -5.324  -3.018
  200    HE2  LYS  23          1HE       LYS  23  -1.115  -4.529  -2.298
  201    HE3  LYS  23          2HE       LYS  23  -1.277  -3.544  -3.769
  202    HZ1  LYS  23          1HZ       LYS  23  -2.494  -5.606  -3.942
  203    HZ2  LYS  23          2HZ       LYS  23  -1.274  -5.576  -5.052
  204    H    MET  24           H        MET  24   2.692  -2.974   1.305
  205    HA   MET  24           HA       MET  24   5.288  -2.462   0.073
  206    HB2  MET  24          1HB       MET  24   4.482  -2.717   2.978
  207    HB3  MET  24          2HB       MET  24   6.154  -2.508   2.402
  208    HG2  MET  24          1HG       MET  24   5.391  -0.344   1.335
  209    HG3  MET  24          2HG       MET  24   3.858  -0.540   2.217
  210    HE1  MET  24          1HE       MET  24   4.942  -0.247   5.946
  211    HE2  MET  24          2HE       MET  24   3.581  -0.325   4.800
  212    HE3  MET  24          3HE       MET  24   4.671  -1.722   4.987
  213    H    PHE  25           H        PHE  25   6.789  -4.149  -0.118
  214    HA   PHE  25           HA       PHE  25   5.865  -6.746   0.893
  215    HB2  PHE  25          1HB       PHE  25   7.697  -5.933  -1.444
  216    HB3  PHE  25          2HB       PHE  25   7.341  -7.597  -1.020
  217    HD1  PHE  25          1HD       PHE  25   5.372  -8.643  -1.763
  218    HD2  PHE  25          2HD       PHE  25   5.826  -4.460  -2.261
  219    HE1  PHE  25          1HE       PHE  25   3.345  -8.599  -3.265
  220    HE2  PHE  25          2HE       PHE  25   3.807  -4.412  -3.756
  221    HZ   PHE  25           HZ       PHE  25   2.592  -6.484  -4.240
  222    H    MET  26           H        MET  26   7.673  -8.297   1.494
  223    HA   MET  26           HA       MET  26  10.146  -6.852   2.062
  224    HB2  MET  26          1HB       MET  26   8.937  -9.284   3.398
  225    HB3  MET  26          2HB       MET  26  10.569  -8.660   3.736
  226    HG2  MET  26          1HG       MET  26   9.605  -6.552   4.535
  227    HG3  MET  26          2HG       MET  26   7.971  -7.158   4.179
  228    HE1  MET  26          1HE       MET  26   8.086  -7.130   8.126
  229    HE2  MET  26          2HE       MET  26   8.865  -5.965   7.027
  230    HE3  MET  26          3HE       MET  26   7.224  -6.559   6.678
  231    H    MET  27           H        MET  27  12.152  -7.868   1.474
  232    HA   MET  27           HA       MET  27  12.120  -8.932  -0.989
  233    HB2  MET  27          1HB       MET  27  14.099  -9.109   1.273
  234    HB3  MET  27          2HB       MET  27  14.455  -9.827  -0.316
  235    HG2  MET  27          1HG       MET  27  13.830  -6.907   0.221
  236    HG3  MET  27          2HG       MET  27  15.449  -7.585  -0.072
  237    HE1  MET  27          1HE       MET  27  15.302  -8.665  -3.806
  238    HE2  MET  27          2HE       MET  27  16.332  -8.406  -2.376
  239    HE3  MET  27          3HE       MET  27  15.072  -9.665  -2.351
  240    H    SER  28           H        SER  28  11.830 -10.654   2.125
  241    HA   SER  28           HA       SER  28  12.112 -13.225   1.173
  242    HB2  SER  28          1HB       SER  28  11.976 -12.671   3.534
  243    HB3  SER  28          2HB       SER  28  10.305 -12.096   3.335
  244    HG   SER  28           HG       SER  28  10.419 -14.223   4.176
  245    H    ASP  29           H        ASP  29   8.922 -11.666   1.982
  246    HA   ASP  29           HA       ASP  29   7.715 -13.489   0.116
  247    HB2  ASP  29          1HB       ASP  29   6.776 -13.155   2.483
  248    HB3  ASP  29          2HB       ASP  29   6.514 -11.487   1.913
  249    HD2  ASP  29           HD       ASP  29   3.434 -13.400   1.397
  250    H    LEU  30           H        LEU  30   8.480 -12.406  -1.889
  251    HA   LEU  30           HA       LEU  30   7.625  -9.718  -2.390
  252    HB2  LEU  30          1HB       LEU  30   8.979 -11.920  -3.687
  253    HB3  LEU  30          2HB       LEU  30   8.260 -10.804  -4.871
  254    HG   LEU  30           HG       LEU  30   9.874  -9.259  -4.561
  255   HD11  LEU  30          1HD1      LEU  30  10.715  -8.580  -2.298
  256   HD12  LEU  30          2HD1      LEU  30   8.938  -8.640  -2.335
  257   HD13  LEU  30          3HD1      LEU  30   9.857  -9.963  -1.581
  258   HD21  LEU  30          1HD2      LEU  30  12.043 -10.118  -3.747
  259   HD22  LEU  30          2HD2      LEU  30  11.206 -11.533  -3.064
  260   HD23  LEU  30          3HD2      LEU  30  11.210 -11.265  -4.822
  261    H    THR  31           H        THR  31   6.174 -12.859  -2.403
  262    HA   THR  31           HA       THR  31   4.523 -12.483  -4.698
  263    HB   THR  31           HB       THR  31   4.304 -14.414  -2.338
  264    HG1  THR  31          1HG       THR  31   5.275 -15.868  -3.873
  265   HG21  THR  31          1HG2      THR  31   2.881 -15.750  -3.851
  266   HG22  THR  31          2HG2      THR  31   2.169 -14.147  -3.552
  267   HG23  THR  31          3HG2      THR  31   3.001 -14.478  -5.088
  268    H    ILE  32           H        ILE  32   4.080 -12.089  -1.146
  269    HA   ILE  32           HA       ILE  32   1.524 -10.791  -1.782
  270    HB   ILE  32           HB       ILE  32   2.181 -12.704   0.506
  271   HG12  ILE  32          1HG1      ILE  32   1.598 -13.761  -1.582
  272   HG13  ILE  32          2HG1      ILE  32   0.372 -14.021  -0.320
  273   HG21  ILE  32          1HG2      ILE  32  -0.099 -12.228   1.336
  274   HG22  ILE  32          2HG2      ILE  32   0.907 -10.761   1.351
  275   HG23  ILE  32          3HG2      ILE  32  -0.303 -10.996   0.068
  276   HD11  ILE  32          1HD1      ILE  32  -0.680 -13.595  -2.506
  277   HD12  ILE  32          2HD1      ILE  32  -1.056 -12.297  -1.349
  278   HD13  ILE  32          3HD1      ILE  32   0.170 -12.037  -2.612
  279    HA   PRO  33           HA       PRO  33   3.446  -7.545   0.393
  280    HB2  PRO  33          1HB       PRO  33   1.406  -5.736   0.376
  281    HB3  PRO  33          2HB       PRO  33   2.362  -6.031  -1.084
  282    HG2  PRO  33          1HG       PRO  33  -0.301  -7.244  -0.270
  283    HG3  PRO  33          2HG       PRO  33   0.193  -6.597  -1.842
  284    HD2  PRO  33          1HD       PRO  33   0.221  -9.290  -1.343
  285    HD3  PRO  33          2HD       PRO  33   1.420  -8.548  -2.409
  286    H    VAL  34           H        VAL  34   3.261  -6.259   2.427
  287    HA   VAL  34           HA       VAL  34   2.078  -8.218   4.274
  288    HB   VAL  34           HB       VAL  34   3.974  -7.697   5.784
  289   HG11  VAL  34          1HG1      VAL  34   5.792  -8.723   4.459
  290   HG12  VAL  34          2HG1      VAL  34   4.240  -9.541   4.159
  291   HG13  VAL  34          3HG1      VAL  34   4.887  -8.394   2.962
  292   HG21  VAL  34          1HG2      VAL  34   5.848  -6.324   5.026
  293   HG22  VAL  34          2HG2      VAL  34   4.945  -5.908   3.550
  294   HG23  VAL  34          3HG2      VAL  34   4.337  -5.389   5.141
  295    H    LYS  35           H        LYS  35   2.325  -4.882   3.254
  296    HA   LYS  35           HA       LYS  35   0.322  -4.235   5.234
  297    HB2  LYS  35          1HB       LYS  35   2.990  -2.828   4.982
  298    HB3  LYS  35          2HB       LYS  35   1.556  -2.062   5.707
  299    HG2  LYS  35          1HG       LYS  35   1.506  -4.079   7.301
  300    HG3  LYS  35          2HG       LYS  35   3.154  -4.421   6.723
  301    HD2  LYS  35          1HD       LYS  35   3.485  -3.131   8.662
  302    HD3  LYS  35          2HD       LYS  35   3.677  -1.974   7.322
  303    HE2  LYS  35          1HE       LYS  35   1.452  -1.125   7.643
  304    HE3  LYS  35          2HE       LYS  35   1.081  -2.402   8.824
  305    HZ1  LYS  35          1HZ       LYS  35   1.592  -0.317   9.899
  306    HZ2  LYS  35          2HZ       LYS  35   2.734  -1.445  10.281
  307    H    ARG  36           H        ARG  36  -1.039  -2.504   4.566
  308    HA   ARG  36           HA       ARG  36  -0.351  -1.303   2.040
  309    HB2  ARG  36          1HB       ARG  36  -2.847  -2.900   2.433
  310    HB3  ARG  36          2HB       ARG  36  -2.568  -1.761   1.095
  311    HG2  ARG  36          1HG       ARG  36  -1.857  -3.607   0.003
  312    HG3  ARG  36          2HG       ARG  36  -0.347  -3.303   0.895
  313    HD2  ARG  36          1HD       ARG  36  -0.924  -5.609   1.006
  314    HD3  ARG  36          2HD       ARG  36  -1.080  -4.865   2.614
  315    HE   ARG  36           HE       ARG  36  -3.511  -5.349   2.478
  316   HH11  ARG  36          1HH       ARG  36  -3.309  -6.900  -1.139
  317   HH21  ARG  36          1HH2      ARG  36  -5.145  -6.350   1.880
  318   HH22  ARG  36          2HH2      ARG  36  -5.194  -7.096   0.295
  319    H    GLY  37           H        GLY  37  -1.514   0.723   1.658
  320    HA2  GLY  37          1HA       GLY  37  -3.511   1.677   3.442
  321    HA3  GLY  37          2HA       GLY  37  -1.928   2.250   3.928
  322    H    CYS  38           H        CYS  38  -2.891   4.426   3.385
  323    HA   CYS  38           HA       CYS  38  -2.986   4.879   0.504
  324    HB2  CYS  38          1HB       CYS  38  -3.851   6.761   2.701
  325    HB3  CYS  38          2HB       CYS  38  -4.147   6.927   0.981
  326    H    ILE  39           H        ILE  39  -1.724   6.709  -0.376
  327    HA   ILE  39           HA       ILE  39  -0.130   8.255   1.415
  328    HB   ILE  39           HB       ILE  39   1.280   6.149   1.076
  329   HG12  ILE  39          1HG1      ILE  39   2.592   8.521  -0.184
  330   HG13  ILE  39          2HG1      ILE  39   2.071   8.539   1.517
  331   HG21  ILE  39          1HG2      ILE  39   2.374   5.883  -1.124
  332   HG22  ILE  39          2HG2      ILE  39   0.610   5.694  -1.259
  333   HG23  ILE  39          3HG2      ILE  39   1.385   7.210  -1.777
  334   HD11  ILE  39          1HD1      ILE  39   4.449   7.926   1.321
  335   HD12  ILE  39          2HD1      ILE  39   3.489   6.577   1.973
  336   HD13  ILE  39          3HD1      ILE  39   4.011   6.559   0.272
  337    H    ASP  40           H        ASP  40   1.060   9.995   0.190
  338    HA   ASP  40           HA       ASP  40  -0.611  10.756  -2.016
  339    HB2  ASP  40          1HB       ASP  40   0.607  13.004  -1.748
  340    HB3  ASP  40          2HB       ASP  40  -0.324  12.284  -0.411
  341    HD2  ASP  40           HD       ASP  40   3.034  13.398   0.728
  342    H    VAL  41           H        VAL  41   2.915  10.334  -1.205
  343    HA   VAL  41           HA       VAL  41   3.466  10.280  -4.092
  344    HB   VAL  41           HB       VAL  41   5.266  11.145  -1.779
  345   HG11  VAL  41          1HG1      VAL  41   6.869  11.767  -3.555
  346   HG12  VAL  41          2HG1      VAL  41   6.520  10.022  -3.590
  347   HG13  VAL  41          3HG1      VAL  41   5.765  11.106  -4.784
  348   HG21  VAL  41          1HG2      VAL  41   5.156  13.367  -2.788
  349   HG22  VAL  41          2HG2      VAL  41   3.991  12.763  -3.989
  350   HG23  VAL  41          3HG2      VAL  41   3.557  12.792  -2.263
  351    H    CYS  42           H        CYS  42   4.248   8.397  -4.901
  352    HA   CYS  42           HA       CYS  42   4.376   6.182  -3.160
  353    HB2  CYS  42          1HB       CYS  42   3.561   6.065  -5.476
  354    HB3  CYS  42          2HB       CYS  42   5.171   6.416  -6.071
  355    HA   PRO  43           HA       PRO  43   8.625   6.808  -2.183
  356    HB2  PRO  43          1HB       PRO  43   8.948   4.774  -0.392
  357    HB3  PRO  43          2HB       PRO  43   8.110   6.259   0.073
  358    HG2  PRO  43          1HG       PRO  43   6.942   3.627  -0.879
  359    HG3  PRO  43          2HG       PRO  43   6.410   4.664   0.452
  360    HD2  PRO  43          1HD       PRO  43   5.163   4.719  -1.993
  361    HD3  PRO  43          2HD       PRO  43   5.286   6.170  -0.992
  362    H    LYS  44           H        LYS  44  10.623   6.152  -2.900
  363    HA   LYS  44           HA       LYS  44  10.479   4.271  -5.008
  364    HB2  LYS  44          1HB       LYS  44  12.796   5.574  -3.551
  365    HB3  LYS  44          2HB       LYS  44  12.971   4.558  -5.002
  366    HG2  LYS  44          1HG       LYS  44  11.617   6.159  -6.290
  367    HG3  LYS  44          2HG       LYS  44  11.433   7.173  -4.840
  368    HD2  LYS  44          1HD       LYS  44  13.855   7.528  -4.757
  369    HD3  LYS  44          2HD       LYS  44  14.070   6.471  -6.173
  370    HE2  LYS  44          1HE       LYS  44  12.723   8.014  -7.531
  371    HE3  LYS  44          2HE       LYS  44  12.504   9.070  -6.117
  372    HZ1  LYS  44          1HZ       LYS  44  14.266   9.855  -7.548
  373    HZ2  LYS  44          2HZ       LYS  44  14.882   9.410  -6.084
  374    H    ASN  45           H        ASN  45  11.916   2.301  -5.160
  375    HA   ASN  45           HA       ASN  45  11.081   0.666  -3.036
  376    HB2  ASN  45          1HB       ASN  45  12.761  -0.183  -5.506
  377    HB3  ASN  45          2HB       ASN  45  12.131  -1.003  -4.056
  378   HD21  ASN  45          1HD2      ASN  45   9.842  -1.039  -7.138
  379   HD22  ASN  45          2HD2      ASN  45  11.568  -1.133  -7.033
  380    H    SER  46           H        SER  46  12.426  -0.453  -1.470
  381    HA   SER  46           HA       SER  46  15.133   0.610  -1.315
  382    HB2  SER  46          1HB       SER  46  15.014   0.183   1.076
  383    HB3  SER  46          2HB       SER  46  13.618   1.158   0.564
  384    HG   SER  46           HG       SER  46  12.382  -0.757   0.582
  385    H    LEU  47           H        LEU  47  16.530  -1.124   0.162
  386    HA   LEU  47           HA       LEU  47  16.721  -3.366  -1.596
  387    HB2  LEU  47          1HB       LEU  47  18.037  -2.530   0.911
  388    HB3  LEU  47          2HB       LEU  47  18.664  -3.948   0.038
  389    HG   LEU  47           HG       LEU  47  18.601  -1.078  -0.975
  390   HD11  LEU  47          1HD1      LEU  47  21.101  -1.266  -0.866
  391   HD12  LEU  47          2HD1      LEU  47  20.365  -1.500   0.737
  392   HD13  LEU  47          3HD1      LEU  47  20.932  -2.906  -0.197
  393   HD21  LEU  47          1HD2      LEU  47  19.855  -1.946  -2.918
  394   HD22  LEU  47          2HD2      LEU  47  19.655  -3.598  -2.287
  395   HD23  LEU  47          3HD2      LEU  47  18.228  -2.656  -2.778
  396    H    LEU  48           H        LEU  48  15.225  -2.654   1.511
  397    HA   LEU  48           HA       LEU  48  15.223  -5.479   2.225
  398    HB2  LEU  48          1HB       LEU  48  14.374  -2.974   3.542
  399    HB3  LEU  48          2HB       LEU  48  14.243  -4.514   4.422
  400    HG   LEU  48           HG       LEU  48  16.800  -3.156   3.482
  401   HD11  LEU  48          1HD1      LEU  48  17.288  -3.000   5.939
  402   HD12  LEU  48          2HD1      LEU  48  15.786  -2.142   5.522
  403   HD13  LEU  48          3HD1      LEU  48  15.712  -3.749   6.284
  404   HD21  LEU  48          1HD2      LEU  48  17.982  -5.002   4.621
  405   HD22  LEU  48          2HD2      LEU  48  16.417  -5.789   4.935
  406   HD23  LEU  48          3HD2      LEU  48  16.981  -5.564   3.262
  407    H    VAL  49           H        VAL  49  12.978  -2.712   1.606
  408    HA   VAL  49           HA       VAL  49  10.850  -4.711   1.292
  409    HB   VAL  49           HB       VAL  49   9.274  -2.926   2.134
  410   HG11  VAL  49          1HG1      VAL  49   9.844  -3.199   4.524
  411   HG12  VAL  49          2HG1      VAL  49  10.058  -4.727   3.636
  412   HG13  VAL  49          3HG1      VAL  49  11.476  -3.744   4.073
  413   HG21  VAL  49          1HG2      VAL  49  10.184  -1.036   3.388
  414   HG22  VAL  49          2HG2      VAL  49  11.829  -1.504   2.896
  415   HG23  VAL  49          3HG2      VAL  49  10.647  -0.985   1.671
  416    H    LYS  50           H        LYS  50   9.330  -4.301  -0.388
  417    HA   LYS  50           HA       LYS  50  10.266  -2.263  -2.281
  418    HB2  LYS  50          1HB       LYS  50  10.365  -4.557  -3.105
  419    HB3  LYS  50          2HB       LYS  50   8.660  -4.808  -2.661
  420    HG2  LYS  50          1HG       LYS  50   7.995  -3.093  -4.319
  421    HG3  LYS  50          2HG       LYS  50   9.702  -2.906  -4.788
  422    HD2  LYS  50          1HD       LYS  50   9.786  -5.254  -5.487
  423    HD3  LYS  50          2HD       LYS  50   8.095  -5.477  -4.978
  424    HE2  LYS  50          1HE       LYS  50   7.399  -3.762  -6.622
  425    HE3  LYS  50          2HE       LYS  50   9.089  -3.612  -7.157
  426    HZ1  LYS  50          1HZ       LYS  50   7.829  -5.072  -8.589
  427    HZ2  LYS  50          2HZ       LYS  50   9.015  -5.921  -7.818
  428    H    TYR  51           H        TYR  51   8.752  -0.843  -3.257
  429    HA   TYR  51           HA       TYR  51   6.182  -0.754  -1.826
  430    HB2  TYR  51          1HB       TYR  51   8.044   1.405  -2.999
  431    HB3  TYR  51          2HB       TYR  51   6.477   1.767  -2.301
  432    HD1  TYR  51          1HD       TYR  51   6.100   1.416   0.136
  433    HD2  TYR  51          2HD       TYR  51   9.954   1.051  -1.631
  434    HE1  TYR  51          1HE       TYR  51   7.173   1.641   2.446
  435    HE2  TYR  51          2HE       TYR  51  11.040   1.273   0.662
  436    HH   TYR  51           HH       TYR  51  10.189   2.466   2.948
  437    H    VAL  52           H        VAL  52   4.381  -0.933  -3.072
  438    HA   VAL  52           HA       VAL  52   4.638  -0.067  -5.868
  439    HB   VAL  52           HB       VAL  52   2.931  -2.348  -4.764
  440   HG11  VAL  52          1HG1      VAL  52   2.352  -2.749  -7.133
  441   HG12  VAL  52          2HG1      VAL  52   1.835  -1.128  -6.613
  442   HG13  VAL  52          3HG1      VAL  52   3.299  -1.318  -7.607
  443   HG21  VAL  52          1HG2      VAL  52   4.340  -3.808  -6.127
  444   HG22  VAL  52          2HG2      VAL  52   5.357  -2.416  -6.564
  445   HG23  VAL  52          3HG2      VAL  52   5.273  -2.961  -4.871
  446    H    CYS  53           H        CYS  53   3.181   1.462  -6.516
  447    HA   CYS  53           HA       CYS  53   0.997   1.996  -4.636
  448    HB2  CYS  53          1HB       CYS  53   2.371   4.061  -6.354
  449    HB3  CYS  53          2HB       CYS  53   1.172   4.335  -5.106
  450    H    CYS  54           H        CYS  54  -1.033   2.718  -5.666
  451    HA   CYS  54           HA       CYS  54  -1.061   2.761  -8.550
  452    HB2  CYS  54          1HB       CYS  54  -3.106   1.253  -8.558
  453    HB3  CYS  54          2HB       CYS  54  -1.531   0.498  -8.421
  454    H    ASN  55           H        ASN  55  -3.055   3.913  -9.329
  455    HA   ASN  55           HA       ASN  55  -3.406   5.901  -7.251
  456    HB2  ASN  55          1HB       ASN  55  -3.405   7.609  -9.129
  457    HB3  ASN  55          2HB       ASN  55  -2.186   6.313  -9.055
  458   HD21  ASN  55          1HD2      ASN  55  -3.432   6.861 -12.547
  459   HD22  ASN  55          2HD2      ASN  55  -2.840   7.919 -11.310
  460    H    THR  56           H        THR  56  -5.160   3.498  -7.513
  461    HA   THR  56           HA       THR  56  -7.677   4.971  -7.824
  462    HB   THR  56           HB       THR  56  -8.710   2.893  -8.765
  463    HG1  THR  56          1HG       THR  56  -7.239   1.261  -9.532
  464   HG21  THR  56          1HG2      THR  56  -7.749   3.056 -11.035
  465   HG22  THR  56          2HG2      THR  56  -7.948   4.668 -10.306
  466   HG23  THR  56          3HG2      THR  56  -6.338   3.916 -10.376
  467    H    ASP  57           H        ASP  57  -9.537   3.465  -6.859
  468    HA   ASP  57           HA       ASP  57  -8.709   3.440  -4.152
  469    HB2  ASP  57          1HB       ASP  57 -11.451   2.963  -5.449
  470    HB3  ASP  57          2HB       ASP  57 -11.005   2.849  -3.728
  471    HD2  ASP  57           HD       ASP  57 -11.598   6.413  -5.199
  472    H    ARG  58           H        ARG  58  -8.396   1.585  -2.829
  473    HA   ARG  58           HA       ARG  58  -8.175  -0.489  -2.253
  474    HB2  ARG  58          1HB       ARG  58 -10.712  -0.857  -3.793
  475    HB3  ARG  58          2HB       ARG  58 -10.011  -2.037  -2.661
  476    HG2  ARG  58          1HG       ARG  58 -10.169  -0.292  -0.864
  477    HG3  ARG  58          2HG       ARG  58 -11.052   0.737  -2.018
  478    HD2  ARG  58          1HD       ARG  58 -12.582  -0.334  -0.553
  479    HD3  ARG  58          2HD       ARG  58 -12.765  -0.992  -2.195
  480    HE   ARG  58           HE       ARG  58 -11.127  -2.788  -0.543
  481   HH11  ARG  58          1HH       ARG  58 -15.028  -3.340  -0.605
  482   HH21  ARG  58          1HH2      ARG  58 -11.747  -4.597   0.066
  483   HH22  ARG  58          2HH2      ARG  58 -13.457  -4.985   0.084
  484    H    CYS  59           H        CYS  59  -6.723   0.297  -4.655
  485    HA   CYS  59           HA       CYS  59  -7.032  -1.885  -6.511
  486    HB2  CYS  59          1HB       CYS  59  -5.244  -0.410  -7.671
  487    HB3  CYS  59          2HB       CYS  59  -6.597   0.591  -7.089
  488    H    ASN  60           H        ASN  60  -5.083  -0.865  -3.744
  489    HA   ASN  60           HA       ASN  60  -3.029  -2.778  -4.357
  490    HB2  ASN  60          1HB       ASN  60  -1.900  -1.875  -2.365
  491    HB3  ASN  60          2HB       ASN  60  -2.481  -0.538  -3.338
  492   HD21  ASN  60          1HD2      ASN  60  -1.931   0.061  -0.856
  493   HD22  ASN  60          2HD2      ASN  60  -3.338   0.272   0.133
  Start of MODEL    7
    1    H1   MET   0          1H        MET   0  -9.404  10.619   2.216
    2    H2   MET   0          2H        MET   0 -10.843  11.042   2.175
    3    H    MET   0           H        MET   0 -10.471   9.574   1.871
    4    H3   MET   0          3H        MET   0 -10.478   9.603   1.957
    5    HA   MET   0           HA       MET   0 -10.810  11.540  -0.021
    6    HB2  MET   0          1HB       MET   0  -7.992  10.476   0.232
    7    HB3  MET   0          2HB       MET   0  -8.616  11.276  -1.231
    8    HG2  MET   0          1HG       MET   0  -8.456  12.538   1.524
    9    HG3  MET   0          2HG       MET   0  -7.271  12.785   0.219
   10    HE1  MET   0          1HE       MET   0  -9.238  14.800  -2.440
   11    HE2  MET   0          2HE       MET   0  -7.643  14.242  -1.880
   12    HE3  MET   0          3HE       MET   0  -8.870  13.060  -2.397
   13    H    LEU   1           H        LEU   1  -8.445   9.044  -0.854
   14    HA   LEU   1           HA       LEU   1 -10.445   7.566  -2.290
   15    HB2  LEU   1          1HB       LEU   1  -7.505   7.668  -2.110
   16    HB3  LEU   1          2HB       LEU   1  -8.170   6.077  -2.415
   17    HG   LEU   1           HG       LEU   1  -9.557   7.404  -4.268
   18   HD11  LEU   1          1HD1      LEU   1  -7.052   9.073  -3.921
   19   HD12  LEU   1          2HD1      LEU   1  -8.136   9.130  -5.332
   20   HD13  LEU   1          3HD1      LEU   1  -8.738   9.610  -3.728
   21   HD21  LEU   1          1HD2      LEU   1  -7.499   5.601  -4.264
   22   HD22  LEU   1          2HD2      LEU   1  -8.344   6.198  -5.711
   23   HD23  LEU   1          3HD2      LEU   1  -6.809   6.947  -5.205
   24    H    LYS   2           H        LYS   2 -10.037   4.953  -2.005
   25    HA   LYS   2           HA       LYS   2  -9.910   4.410   0.874
   26    HB2  LYS   2          1HB       LYS   2 -11.560   2.563   0.407
   27    HB3  LYS   2          2HB       LYS   2 -12.209   4.220   0.357
   28    HG2  LYS   2          1HG       LYS   2 -11.986   4.145  -2.148
   29    HG3  LYS   2          2HG       LYS   2 -11.558   2.424  -2.001
   30    HD2  LYS   2          1HD       LYS   2 -13.801   2.155  -2.300
   31    HD3  LYS   2          2HD       LYS   2 -13.816   2.426  -0.542
   32    HE2  LYS   2          1HE       LYS   2 -13.923   4.831  -2.297
   33    HE3  LYS   2          2HE       LYS   2 -15.372   3.800  -2.245
   34    HZ1  LYS   2          1HZ       LYS   2 -15.450   5.528  -0.579
   35    HZ2  LYS   2          2HZ       LYS   2 -15.383   4.047   0.145
   36    H    CYS   3           H        CYS   3  -8.288   3.034   1.358
   37    HA   CYS   3           HA       CYS   3  -7.314   1.372  -0.850
   38    HB2  CYS   3          1HB       CYS   3  -5.736   2.439   1.496
   39    HB3  CYS   3          2HB       CYS   3  -5.111   1.460   0.184
   40    H    ASN   4           H        ASN   4  -6.114  -0.689   0.116
   41    HA   ASN   4           HA       ASN   4  -8.231  -1.844   1.705
   42    HB2  ASN   4          1HB       ASN   4  -6.205  -3.302  -0.141
   43    HB3  ASN   4          2HB       ASN   4  -7.314  -3.835   1.145
   44   HD21  ASN   4          1HD2      ASN   4  -8.725  -3.647  -2.460
   45   HD22  ASN   4          2HD2      ASN   4  -7.103  -3.979  -1.949
   46    H    LYS   5           H        LYS   5  -7.800  -2.869   3.735
   47    HA   LYS   5           HA       LYS   5  -5.302  -2.392   4.990
   48    HB2  LYS   5          1HB       LYS   5  -7.627  -4.213   5.680
   49    HB3  LYS   5          2HB       LYS   5  -6.250  -3.871   6.754
   50    HG2  LYS   5          1HG       LYS   5  -6.883  -1.467   6.745
   51    HG3  LYS   5          2HG       LYS   5  -8.305  -1.871   5.753
   52    HD2  LYS   5          1HD       LYS   5  -9.091  -3.391   7.556
   53    HD3  LYS   5          2HD       LYS   5  -7.705  -2.885   8.553
   54    HE2  LYS   5          1HE       LYS   5  -8.499  -0.567   8.498
   55    HE3  LYS   5          2HE       LYS   5  -9.873  -1.053   7.478
   56    HZ1  LYS   5          1HZ       LYS   5 -10.501  -0.869   9.789
   57    HZ2  LYS   5          2HZ       LYS   5 -10.642  -2.435   9.287
   58    H    LEU   6           H        LEU   6  -4.303  -4.503   6.194
   59    HA   LEU   6           HA       LEU   6  -3.011  -6.025   4.310
   60    HB2  LEU   6          1HB       LEU   6  -2.317  -5.791   6.482
   61    HB3  LEU   6          2HB       LEU   6  -3.700  -6.606   7.251
   62    HG   LEU   6           HG       LEU   6  -3.022  -8.732   6.175
   63   HD11  LEU   6          1HD1      LEU   6  -0.755  -8.874   5.110
   64   HD12  LEU   6          2HD1      LEU   6  -1.817  -7.755   4.223
   65   HD13  LEU   6          3HD1      LEU   6  -0.565  -7.117   5.316
   66   HD21  LEU   6          1HD2      LEU   6  -1.031  -9.162   7.573
   67   HD22  LEU   6          2HD2      LEU   6  -0.853  -7.410   7.828
   68   HD23  LEU   6          3HD2      LEU   6  -2.295  -8.256   8.439
   69    H    VAL   7           H        VAL   7  -6.133  -6.622   6.004
   70    HA   VAL   7           HA       VAL   7  -6.531  -8.935   4.260
   71    HB   VAL   7           HB       VAL   7  -8.253  -7.903   6.559
   72   HG11  VAL   7          1HG1      VAL   7  -9.281 -10.149   6.441
   73   HG12  VAL   7          2HG1      VAL   7  -9.469  -9.276   4.902
   74   HG13  VAL   7          3HG1      VAL   7  -8.239 -10.554   5.057
   75   HG21  VAL   7          1HG2      VAL   7  -7.319  -9.736   7.877
   76   HG22  VAL   7          2HG2      VAL   7  -6.206 -10.126   6.545
   77   HG23  VAL   7          3HG2      VAL   7  -6.074  -8.564   7.388
   78    HA   PRO   8           HA       PRO   8  -8.328  -6.313   1.497
   79    HB2  PRO   8          1HB       PRO   8  -9.657  -8.740   0.370
   80    HB3  PRO   8          2HB       PRO   8  -8.657  -7.569  -0.503
   81    HG2  PRO   8          1HG       PRO   8  -7.615  -9.929   0.165
   82    HG3  PRO   8          2HG       PRO   8  -6.630  -8.470   0.335
   83    HD2  PRO   8          1HD       PRO   8  -8.044 -10.073   2.497
   84    HD3  PRO   8          2HD       PRO   8  -6.474  -9.264   2.562
   85    H    ILE   9           H        ILE   9 -10.185  -7.963   3.713
   86    HA   ILE   9           HA       ILE   9 -12.687  -7.454   2.388
   87    HB   ILE   9           HB       ILE   9 -13.678  -8.653   4.273
   88   HG12  ILE   9          1HG1      ILE   9 -10.979  -8.432   5.580
   89   HG13  ILE   9          2HG1      ILE   9 -12.448  -7.530   6.022
   90   HG21  ILE   9          1HG2      ILE   9 -12.403 -10.770   4.213
   91   HG22  ILE   9          2HG2      ILE   9 -12.514 -10.044   2.593
   92   HG23  ILE   9          3HG2      ILE   9 -11.005  -9.909   3.526
   93   HD11  ILE   9          1HD1      ILE   9 -12.068  -9.419   7.558
   94   HD12  ILE   9          2HD1      ILE   9 -13.565  -9.643   6.622
   95   HD13  ILE   9          3HD1      ILE   9 -12.096 -10.544   6.181
   96    H    ALA  10           H        ALA  10 -10.555  -5.537   4.082
   97    HA   ALA  10           HA       ALA  10 -12.730  -3.757   4.862
   98    HB1  ALA  10          1HB       ALA  10 -12.347  -4.702   6.970
   99    HB2  ALA  10          2HB       ALA  10 -10.606  -4.920   6.667
  100    HB3  ALA  10          3HB       ALA  10 -11.259  -3.295   6.980
  101    H    TYR  11           H        TYR  11 -12.241  -1.580   4.522
  102    HA   TYR  11           HA       TYR  11  -9.556  -1.096   3.416
  103    HB2  TYR  11          1HB       TYR  11 -10.579   0.593   2.021
  104    HB3  TYR  11          2HB       TYR  11 -11.280  -1.017   1.729
  105    HD1  TYR  11          1HD       TYR  11 -11.918   2.369   3.010
  106    HD2  TYR  11          2HD       TYR  11 -13.589  -1.504   2.384
  107    HE1  TYR  11          1HE       TYR  11 -14.184   3.292   3.402
  108    HE2  TYR  11          2HE       TYR  11 -15.857  -0.601   2.773
  109    HH   TYR  11           HH       TYR  11 -17.102   1.244   3.255
  110    H    LYS  12           H        LYS  12  -8.688   1.108   3.730
  111    HA   LYS  12           HA       LYS  12  -9.909   2.439   6.046
  112    HB2  LYS  12          1HB       LYS  12  -7.063   2.413   5.005
  113    HB3  LYS  12          2HB       LYS  12  -7.644   3.485   6.301
  114    HG2  LYS  12          1HG       LYS  12  -8.225   1.481   7.654
  115    HG3  LYS  12          2HG       LYS  12  -7.538   0.451   6.376
  116    HD2  LYS  12          1HD       LYS  12  -5.343   1.429   6.692
  117    HD3  LYS  12          2HD       LYS  12  -5.997   2.607   7.855
  118    HE2  LYS  12          1HE       LYS  12  -6.644   0.737   9.345
  119    HE3  LYS  12          2HE       LYS  12  -5.909  -0.406   8.198
  120    HZ1  LYS  12          1HZ       LYS  12  -4.415   0.129  10.001
  121    HZ2  LYS  12          2HZ       LYS  12  -3.797   0.677   8.572
  122    H    THR  13           H        THR  13 -10.318   4.677   5.933
  123    HA   THR  13           HA       THR  13 -10.450   5.778   3.271
  124    HB   THR  13           HB       THR  13 -11.000   7.022   6.012
  125    HG1  THR  13          1HG       THR  13 -13.205   6.609   5.396
  126   HG21  THR  13          1HG2      THR  13 -12.265   8.710   4.728
  127   HG22  THR  13          2HG2      THR  13 -10.550   8.696   4.251
  128   HG23  THR  13          3HG2      THR  13 -11.770   7.927   3.209
  129    H    CYS  14           H        CYS  14  -9.102   7.196   2.294
  130    HA   CYS  14           HA       CYS  14  -6.492   7.276   3.364
  131    HB2  CYS  14          1HB       CYS  14  -7.739   8.589   0.947
  132    HB3  CYS  14          2HB       CYS  14  -6.039   8.725   1.348
  133    HA   PRO  15           HA       PRO  15  -6.822  11.129   5.435
  134    HB2  PRO  15          1HB       PRO  15  -4.236  11.823   5.804
  135    HB3  PRO  15          2HB       PRO  15  -4.904  10.443   6.687
  136    HG2  PRO  15          1HG       PRO  15  -3.317  10.459   4.095
  137    HG3  PRO  15          2HG       PRO  15  -3.110   9.427   5.516
  138    HD2  PRO  15          1HD       PRO  15  -4.490   8.576   3.290
  139    HD3  PRO  15          2HD       PRO  15  -4.905   8.008   4.912
  140    H    GLU  16           H        GLU  16  -6.717  13.423   5.221
  141    HA   GLU  16           HA       GLU  16  -7.008  14.215   2.611
  142    HB2  GLU  16          1HB       GLU  16  -7.853  15.432   4.560
  143    HB3  GLU  16          2HB       GLU  16  -6.187  15.815   5.057
  144    HG2  GLU  16          1HG       GLU  16  -5.932  17.228   2.958
  145    HG3  GLU  16          2HG       GLU  16  -7.585  16.703   2.568
  146    HE2  GLU  16           HE       GLU  16  -7.779  19.884   4.323
  147    H    GLY  17           H        GLY  17  -5.621  14.914   0.999
  148    HA2  GLY  17          1HA       GLY  17  -3.679  15.953   0.226
  149    HA3  GLY  17          2HA       GLY  17  -2.863  15.587   1.735
  150    H    LYS  18           H        LYS  18  -4.109  12.729   1.602
  151    HA   LYS  18           HA       LYS  18  -2.095  11.653  -0.211
  152    HB2  LYS  18          1HB       LYS  18  -3.815  10.486   1.991
  153    HB3  LYS  18          2HB       LYS  18  -2.828   9.483   0.902
  154    HG2  LYS  18          1HG       LYS  18  -1.739   9.920   3.104
  155    HG3  LYS  18          2HG       LYS  18  -0.792  10.502   1.713
  156    HD2  LYS  18          1HD       LYS  18  -1.365  12.758   2.123
  157    HD3  LYS  18          2HD       LYS  18  -2.692  12.307   3.219
  158    HE2  LYS  18          1HE       LYS  18  -0.734  13.171   4.445
  159    HE3  LYS  18          2HE       LYS  18  -1.104  11.483   4.865
  160    HZ1  LYS  18          1HZ       LYS  18   1.250  11.820   4.529
  161    HZ2  LYS  18          2HZ       LYS  18   0.656  10.796   3.380
  162    H    ASN  19           H        ASN  19  -2.665   9.953  -1.754
  163    HA   ASN  19           HA       ASN  19  -5.438  10.203  -2.587
  164    HB2  ASN  19          1HB       ASN  19  -3.991  11.928  -3.976
  165    HB3  ASN  19          2HB       ASN  19  -3.109  10.402  -4.226
  166   HD21  ASN  19          1HD2      ASN  19  -6.332  11.386  -6.467
  167   HD22  ASN  19          2HD2      ASN  19  -5.760  12.375  -5.164
  168    H    LEU  20           H        LEU  20  -2.195   8.605  -2.866
  169    HA   LEU  20           HA       LEU  20  -3.305   6.640  -4.677
  170    HB2  LEU  20          1HB       LEU  20  -0.617   7.008  -3.507
  171    HB3  LEU  20          2HB       LEU  20  -0.882   5.955  -4.915
  172    HG   LEU  20           HG       LEU  20  -1.122   8.986  -4.814
  173   HD11  LEU  20          1HD1      LEU  20   0.749   8.901  -6.483
  174   HD12  LEU  20          2HD1      LEU  20   1.213   8.124  -4.952
  175   HD13  LEU  20          3HD1      LEU  20   0.763   7.126  -6.355
  176   HD21  LEU  20          1HD2      LEU  20  -1.632   8.857  -7.228
  177   HD22  LEU  20          2HD2      LEU  20  -1.669   7.080  -7.107
  178   HD23  LEU  20          3HD2      LEU  20  -2.864   8.058  -6.222
  179    H    CYS  21           H        CYS  21  -2.979   4.300  -4.330
  180    HA   CYS  21           HA       CYS  21  -2.947   3.667  -1.475
  181    HB2  CYS  21          1HB       CYS  21  -4.024   2.090  -3.820
  182    HB3  CYS  21          2HB       CYS  21  -3.970   1.507  -2.167
  183    H    TYR  22           H        TYR  22  -1.264   2.391  -0.675
  184    HA   TYR  22           HA       TYR  22   0.668   1.444  -2.684
  185    HB2  TYR  22          1HB       TYR  22   2.433   2.166  -1.369
  186    HB3  TYR  22          2HB       TYR  22   1.272   3.516  -1.363
  187    HD1  TYR  22          1HD       TYR  22   2.769   0.814   0.663
  188    HD2  TYR  22          2HD       TYR  22   0.142   4.173   0.674
  189    HE1  TYR  22          1HE       TYR  22   2.765   0.792   3.141
  190    HE2  TYR  22          2HE       TYR  22   0.126   4.166   3.145
  191    HH   TYR  22           HH       TYR  22   0.896   3.163   5.040
  192    H    LYS  23           H        LYS  23   1.789  -0.526  -2.207
  193    HA   LYS  23           HA       LYS  23   1.062  -1.781   0.336
  194    HB2  LYS  23          1HB       LYS  23   1.024  -3.959  -0.801
  195    HB3  LYS  23          2HB       LYS  23  -0.259  -2.871  -1.383
  196    HG2  LYS  23          1HG       LYS  23   1.000  -2.400  -3.408
  197    HG3  LYS  23          2HG       LYS  23   2.374  -3.363  -2.815
  198    HD2  LYS  23          1HD       LYS  23   0.912  -4.544  -4.491
  199    HD3  LYS  23          2HD       LYS  23   1.111  -5.396  -2.942
  200    HE2  LYS  23          1HE       LYS  23  -1.051  -4.607  -2.178
  201    HE3  LYS  23          2HE       LYS  23  -1.242  -3.615  -3.642
  202    HZ1  LYS  23          1HZ       LYS  23  -2.464  -5.675  -3.798
  203    HZ2  LYS  23          2HZ       LYS  23  -1.268  -5.640  -4.934
  204    H    MET  24           H        MET  24   2.736  -3.037   1.294
  205    HA   MET  24           HA       MET  24   5.320  -2.492   0.049
  206    HB2  MET  24          1HB       MET  24   4.546  -2.717   2.968
  207    HB3  MET  24          2HB       MET  24   6.210  -2.507   2.370
  208    HG2  MET  24          1HG       MET  24   5.420  -0.358   1.286
  209    HG3  MET  24          2HG       MET  24   3.905  -0.550   2.199
  210    HE1  MET  24          1HE       MET  24   5.020  -0.156   5.896
  211    HE2  MET  24          2HE       MET  24   3.652  -0.229   4.757
  212    HE3  MET  24          3HE       MET  24   4.706  -1.648   4.977
  213    H    PHE  25           H        PHE  25   6.783  -4.191  -0.197
  214    HA   PHE  25           HA       PHE  25   5.895  -6.771   0.885
  215    HB2  PHE  25          1HB       PHE  25   7.704  -5.981  -1.478
  216    HB3  PHE  25          2HB       PHE  25   7.364  -7.639  -1.027
  217    HD1  PHE  25          1HD       PHE  25   5.842  -4.543  -2.317
  218    HD2  PHE  25          2HD       PHE  25   5.366  -8.712  -1.720
  219    HE1  PHE  25          1HE       PHE  25   3.804  -4.525  -3.803
  220    HE2  PHE  25          2HE       PHE  25   3.336  -8.698  -3.197
  221    HZ   PHE  25           HZ       PHE  25   2.581  -6.605  -4.220
  222    H    MET  26           H        MET  26   7.720  -8.306   1.489
  223    HA   MET  26           HA       MET  26  10.187  -6.837   2.024
  224    HB2  MET  26          1HB       MET  26   9.020  -9.293   3.351
  225    HB3  MET  26          2HB       MET  26  10.654  -8.663   3.670
  226    HG2  MET  26          1HG       MET  26   9.695  -6.571   4.507
  227    HG3  MET  26          2HG       MET  26   8.057  -7.175   4.165
  228    HE1  MET  26          1HE       MET  26   8.218  -7.194   8.110
  229    HE2  MET  26          2HE       MET  26   8.980  -6.014   7.017
  230    HE3  MET  26          3HE       MET  26   7.337  -6.610   6.677
  231    H    MET  27           H        MET  27  12.199  -7.819   1.399
  232    HA   MET  27           HA       MET  27  12.131  -8.885  -1.074
  233    HB2  MET  27          1HB       MET  27  14.174  -8.985   1.136
  234    HB3  MET  27          2HB       MET  27  14.511  -9.694  -0.461
  235    HG2  MET  27          1HG       MET  27  13.813  -6.795   0.100
  236    HG3  MET  27          2HG       MET  27  15.437  -7.425  -0.259
  237    HE1  MET  27          1HE       MET  27  15.159  -8.514  -3.987
  238    HE2  MET  27          2HE       MET  27  16.242  -8.236  -2.601
  239    HE3  MET  27          3HE       MET  27  15.011  -9.520  -2.526
  240    H    SER  28           H        SER  28  11.902 -10.583   2.047
  241    HA   SER  28           HA       SER  28  12.232 -13.157   1.109
  242    HB2  SER  28          1HB       SER  28  12.097 -12.596   3.468
  243    HB3  SER  28          2HB       SER  28  10.417 -12.045   3.272
  244    HG   SER  28           HG       SER  28  10.564 -14.168   4.122
  245    H    ASP  29           H        ASP  29   9.022 -11.643   1.927
  246    HA   ASP  29           HA       ASP  29   7.837 -13.489   0.067
  247    HB2  ASP  29          1HB       ASP  29   6.908 -13.176   2.441
  248    HB3  ASP  29          2HB       ASP  29   6.613 -11.513   1.877
  249    HD2  ASP  29           HD       ASP  29   3.571 -13.504   1.378
  250    H    LEU  30           H        LEU  30   8.543 -12.405  -1.948
  251    HA   LEU  30           HA       LEU  30   7.681  -9.713  -2.428
  252    HB2  LEU  30          1HB       LEU  30   9.013 -11.909  -3.760
  253    HB3  LEU  30          2HB       LEU  30   8.289 -10.772  -4.919
  254    HG   LEU  30           HG       LEU  30   9.954  -9.289  -4.644
  255   HD11  LEU  30          1HD1      LEU  30  10.736  -8.527  -2.385
  256   HD12  LEU  30          2HD1      LEU  30   8.960  -8.567  -2.474
  257   HD13  LEU  30          3HD1      LEU  30   9.838  -9.871  -1.639
  258   HD21  LEU  30          1HD2      LEU  30  12.085 -10.139  -3.729
  259   HD22  LEU  30          2HD2      LEU  30  11.210 -11.515  -3.015
  260   HD23  LEU  30          3HD2      LEU  30  11.270 -11.319  -4.783
  261    H    THR  31           H        THR  31   6.229 -12.853  -2.428
  262    HA   THR  31           HA       THR  31   4.552 -12.466  -4.706
  263    HB   THR  31           HB       THR  31   4.370 -14.419  -2.358
  264    HG1  THR  31          1HG       THR  31   5.333 -15.856  -3.914
  265   HG21  THR  31          1HG2      THR  31   2.939 -15.751  -3.867
  266   HG22  THR  31          2HG2      THR  31   2.221 -14.153  -3.549
  267   HG23  THR  31          3HG2      THR  31   3.041 -14.469  -5.096
  268    H    ILE  32           H        ILE  32   4.154 -12.098  -1.145
  269    HA   ILE  32           HA       ILE  32   1.570 -10.837  -1.735
  270    HB   ILE  32           HB       ILE  32   2.301 -12.743   0.538
  271   HG12  ILE  32          1HG1      ILE  32   1.708 -13.814  -1.535
  272   HG13  ILE  32          2HG1      ILE  32   0.499 -14.092  -0.260
  273   HG21  ILE  32          1HG2      ILE  32   0.026 -12.314   1.405
  274   HG22  ILE  32          2HG2      ILE  32   1.002 -10.827   1.406
  275   HG23  ILE  32          3HG2      ILE  32  -0.224 -11.085   0.143
  276   HD11  ILE  32          1HD1      ILE  32  -0.581 -13.687  -2.437
  277   HD12  ILE  32          2HD1      ILE  32  -0.967 -12.392  -1.279
  278   HD13  ILE  32          3HD1      ILE  32   0.242 -12.115  -2.555
  279    HA   PRO  33           HA       PRO  33   3.471  -7.576   0.436
  280    HB2  PRO  33          1HB       PRO  33   1.424  -5.775   0.414
  281    HB3  PRO  33          2HB       PRO  33   2.368  -6.079  -1.051
  282    HG2  PRO  33          1HG       PRO  33  -0.283  -7.292  -0.204
  283    HG3  PRO  33          2HG       PRO  33   0.193  -6.656  -1.784
  284    HD2  PRO  33          1HD       PRO  33   0.236  -9.347  -1.258
  285    HD3  PRO  33          2HD       PRO  33   1.412  -8.610  -2.353
  286    H    VAL  34           H        VAL  34   3.289  -6.295   2.463
  287    HA   VAL  34           HA       VAL  34   2.050  -8.204   4.324
  288    HB   VAL  34           HB       VAL  34   3.933  -7.697   5.854
  289   HG11  VAL  34          1HG1      VAL  34   5.738  -8.805   4.579
  290   HG12  VAL  34          2HG1      VAL  34   4.169  -9.586   4.276
  291   HG13  VAL  34          3HG1      VAL  34   4.863  -8.485   3.063
  292   HG21  VAL  34          1HG2      VAL  34   5.854  -6.394   5.092
  293   HG22  VAL  34          2HG2      VAL  34   4.984  -5.989   3.594
  294   HG23  VAL  34          3HG2      VAL  34   4.370  -5.416   5.163
  295    H    LYS  35           H        LYS  35   2.393  -4.892   3.259
  296    HA   LYS  35           HA       LYS  35   0.475  -4.129   5.298
  297    HB2  LYS  35          1HB       LYS  35   3.218  -2.903   5.016
  298    HB3  LYS  35          2HB       LYS  35   1.869  -1.973   5.638
  299    HG2  LYS  35          1HG       LYS  35   1.468  -3.903   7.304
  300    HG3  LYS  35          2HG       LYS  35   3.012  -4.555   6.787
  301    HD2  LYS  35          1HD       LYS  35   3.613  -3.256   8.661
  302    HD3  LYS  35          2HD       LYS  35   3.974  -2.180   7.326
  303    HE2  LYS  35          1HE       LYS  35   1.852  -0.984   7.630
  304    HE3  LYS  35          2HE       LYS  35   1.316  -2.144   8.829
  305    HZ1  LYS  35          1HZ       LYS  35   2.924   0.101   9.198
  306    HZ2  LYS  35          2HZ       LYS  35   2.323  -0.913  10.329
  307    H    ARG  36           H        ARG  36  -0.970  -2.540   4.583
  308    HA   ARG  36           HA       ARG  36  -0.312  -1.281   2.071
  309    HB2  ARG  36          1HB       ARG  36  -2.847  -2.813   2.488
  310    HB3  ARG  36          2HB       ARG  36  -2.507  -1.716   1.130
  311    HG2  ARG  36          1HG       ARG  36  -1.881  -3.625   0.090
  312    HG3  ARG  36          2HG       ARG  36  -0.357  -3.347   0.968
  313    HD2  ARG  36          1HD       ARG  36  -0.970  -5.619   1.175
  314    HD3  ARG  36          2HD       ARG  36  -1.178  -4.820   2.750
  315    HE   ARG  36           HE       ARG  36  -3.609  -5.276   2.534
  316   HH11  ARG  36          1HH       ARG  36  -3.286  -6.960  -1.013
  317   HH21  ARG  36          1HH2      ARG  36  -5.232  -6.277   1.908
  318   HH22  ARG  36          2HH2      ARG  36  -5.228  -7.081   0.351
  319    H    GLY  37           H        GLY  37  -1.489   0.750   1.734
  320    HA2  GLY  37          1HA       GLY  37  -3.472   1.679   3.528
  321    HA3  GLY  37          2HA       GLY  37  -1.895   2.242   4.041
  322    H    CYS  38           H        CYS  38  -2.823   4.431   3.536
  323    HA   CYS  38           HA       CYS  38  -2.920   4.938   0.662
  324    HB2  CYS  38          1HB       CYS  38  -3.850   6.677   2.956
  325    HB3  CYS  38          2HB       CYS  38  -4.007   7.054   1.251
  326    H    ILE  39           H        ILE  39  -1.642   6.764  -0.188
  327    HA   ILE  39           HA       ILE  39  -0.066   8.290   1.635
  328    HB   ILE  39           HB       ILE  39   1.355   6.199   1.267
  329   HG12  ILE  39          1HG1      ILE  39   2.659   8.589   0.032
  330   HG13  ILE  39          2HG1      ILE  39   2.138   8.586   1.733
  331   HG21  ILE  39          1HG2      ILE  39   2.447   5.962  -0.938
  332   HG22  ILE  39          2HG2      ILE  39   0.684   5.769  -1.073
  333   HG23  ILE  39          3HG2      ILE  39   1.453   7.293  -1.574
  334   HD11  ILE  39          1HD1      ILE  39   4.519   7.983   1.531
  335   HD12  ILE  39          2HD1      ILE  39   3.563   6.623   2.167
  336   HD13  ILE  39          3HD1      ILE  39   4.083   6.626   0.466
  337    H    ASP  40           H        ASP  40   1.146  10.040   0.427
  338    HA   ASP  40           HA       ASP  40  -0.601  10.882  -1.685
  339    HB2  ASP  40          1HB       ASP  40   0.617  13.120  -1.376
  340    HB3  ASP  40          2HB       ASP  40  -0.247  12.342  -0.026
  341    HD2  ASP  40           HD       ASP  40   3.168  13.426   0.981
  342    H    VAL  41           H        VAL  41   2.952  10.435  -1.028
  343    HA   VAL  41           HA       VAL  41   3.379  10.402  -3.937
  344    HB   VAL  41           HB       VAL  41   5.297  11.205  -1.696
  345   HG11  VAL  41          1HG1      VAL  41   6.831  11.819  -3.536
  346   HG12  VAL  41          2HG1      VAL  41   6.446  10.082  -3.575
  347   HG13  VAL  41          3HG1      VAL  41   5.660  11.194  -4.721
  348   HG21  VAL  41          1HG2      VAL  41   5.187  13.442  -2.674
  349   HG22  VAL  41          2HG2      VAL  41   3.955  12.875  -3.828
  350   HG23  VAL  41          3HG2      VAL  41   3.600  12.891  -2.083
  351    H    CYS  42           H        CYS  42   4.154   8.537  -4.808
  352    HA   CYS  42           HA       CYS  42   4.267   6.280  -3.122
  353    HB2  CYS  42          1HB       CYS  42   3.431   6.198  -5.419
  354    HB3  CYS  42          2HB       CYS  42   5.023   6.599  -6.034
  355    HA   PRO  43           HA       PRO  43   8.532   6.826  -2.160
  356    HB2  PRO  43          1HB       PRO  43   8.838   4.763  -0.406
  357    HB3  PRO  43          2HB       PRO  43   8.019   6.250   0.087
  358    HG2  PRO  43          1HG       PRO  43   6.815   3.647  -0.900
  359    HG3  PRO  43          2HG       PRO  43   6.304   4.668   0.451
  360    HD2  PRO  43          1HD       PRO  43   5.047   4.775  -1.990
  361    HD3  PRO  43          2HD       PRO  43   5.184   6.207  -0.962
  362    H    LYS  44           H        LYS  44  10.509   6.167  -2.921
  363    HA   LYS  44           HA       LYS  44  10.319   4.294  -5.036
  364    HB2  LYS  44          1HB       LYS  44  12.666   5.588  -3.616
  365    HB3  LYS  44          2HB       LYS  44  12.814   4.574  -5.072
  366    HG2  LYS  44          1HG       LYS  44  11.453   6.180  -6.339
  367    HG3  LYS  44          2HG       LYS  44  11.278   7.189  -4.884
  368    HD2  LYS  44          1HD       LYS  44  13.694   7.561  -4.821
  369    HD3  LYS  44          2HD       LYS  44  13.911   6.497  -6.231
  370    HE2  LYS  44          1HE       LYS  44  12.555   8.023  -7.596
  371    HE3  LYS  44          2HE       LYS  44  12.329   9.085  -6.188
  372    HZ1  LYS  44          1HZ       LYS  44  14.084   9.874  -7.625
  373    HZ2  LYS  44          2HZ       LYS  44  14.705   9.442  -6.158
  374    H    ASN  45           H        ASN  45  11.812   2.343  -5.210
  375    HA   ASN  45           HA       ASN  45  11.000   0.674  -3.101
  376    HB2  ASN  45          1HB       ASN  45  12.720  -0.120  -5.563
  377    HB3  ASN  45          2HB       ASN  45  12.089  -0.961  -4.127
  378   HD21  ASN  45          1HD2      ASN  45   9.834  -1.029  -7.231
  379   HD22  ASN  45          2HD2      ASN  45  11.561  -1.098  -7.103
  380    H    SER  46           H        SER  46  12.364  -0.438  -1.544
  381    HA   SER  46           HA       SER  46  15.044   0.696  -1.359
  382    HB2  SER  46          1HB       SER  46  14.913   0.273   1.032
  383    HB3  SER  46          2HB       SER  46  13.494   1.208   0.508
  384    HG   SER  46           HG       SER  46  12.308  -0.733   0.529
  385    H    LEU  47           H        LEU  47  16.459  -1.012   0.140
  386    HA   LEU  47           HA       LEU  47  16.708  -3.247  -1.625
  387    HB2  LEU  47          1HB       LEU  47  18.011  -2.374   0.878
  388    HB3  LEU  47          2HB       LEU  47  18.673  -3.773  -0.000
  389    HG   LEU  47           HG       LEU  47  18.530  -0.903  -1.002
  390   HD11  LEU  47          1HD1      LEU  47  21.034  -1.032  -0.916
  391   HD12  LEU  47          2HD1      LEU  47  20.318  -1.292   0.692
  392   HD13  LEU  47          3HD1      LEU  47  20.911  -2.678  -0.255
  393   HD21  LEU  47          1HD2      LEU  47  19.787  -1.730  -2.962
  394   HD22  LEU  47          2HD2      LEU  47  19.633  -3.391  -2.337
  395   HD23  LEU  47          3HD2      LEU  47  18.179  -2.480  -2.811
  396    H    LEU  48           H        LEU  48  15.174  -2.560   1.464
  397    HA   LEU  48           HA       LEU  48  15.246  -5.379   2.198
  398    HB2  LEU  48          1HB       LEU  48  14.335  -2.887   3.501
  399    HB3  LEU  48          2HB       LEU  48  14.237  -4.425   4.387
  400    HG   LEU  48           HG       LEU  48  16.764  -3.011   3.452
  401   HD11  LEU  48          1HD1      LEU  48  17.241  -2.837   5.908
  402   HD12  LEU  48          2HD1      LEU  48  15.720  -2.017   5.484
  403   HD13  LEU  48          3HD1      LEU  48  15.681  -3.622   6.251
  404   HD21  LEU  48          1HD2      LEU  48  17.987  -4.825   4.599
  405   HD22  LEU  48          2HD2      LEU  48  16.438  -5.649   4.910
  406   HD23  LEU  48          3HD2      LEU  48  17.003  -5.415   3.238
  407    H    VAL  49           H        VAL  49  12.945  -2.666   1.549
  408    HA   VAL  49           HA       VAL  49  10.864  -4.716   1.226
  409    HB   VAL  49           HB       VAL  49   9.240  -2.974   2.054
  410   HG11  VAL  49          1HG1      VAL  49   9.803  -3.214   4.449
  411   HG12  VAL  49          2HG1      VAL  49  10.067  -4.740   3.573
  412   HG13  VAL  49          3HG1      VAL  49  11.453  -3.713   4.011
  413   HG21  VAL  49          1HG2      VAL  49  10.086  -1.049   3.299
  414   HG22  VAL  49          2HG2      VAL  49  11.747  -1.472   2.820
  415   HG23  VAL  49          3HG2      VAL  49  10.557  -0.995   1.585
  416    H    LYS  50           H        LYS  50   9.338  -4.332  -0.460
  417    HA   LYS  50           HA       LYS  50  10.277  -2.322  -2.377
  418    HB2  LYS  50          1HB       LYS  50  10.330  -4.627  -3.171
  419    HB3  LYS  50          2HB       LYS  50   8.627  -4.846  -2.703
  420    HG2  LYS  50          1HG       LYS  50   7.966  -3.149  -4.380
  421    HG3  LYS  50          2HG       LYS  50   9.670  -2.991  -4.871
  422    HD2  LYS  50          1HD       LYS  50   9.718  -5.345  -5.542
  423    HD3  LYS  50          2HD       LYS  50   8.034  -5.546  -5.002
  424    HE2  LYS  50          1HE       LYS  50   7.324  -3.851  -6.657
  425    HE3  LYS  50          2HE       LYS  50   9.005  -3.720  -7.221
  426    HZ1  LYS  50          1HZ       LYS  50   7.712  -5.190  -8.612
  427    HZ2  LYS  50          2HZ       LYS  50   8.907  -6.036  -7.851
  428    H    TYR  51           H        TYR  51   8.778  -0.897  -3.374
  429    HA   TYR  51           HA       TYR  51   6.251  -0.699  -1.874
  430    HB2  TYR  51          1HB       TYR  51   8.022   1.451  -3.042
  431    HB3  TYR  51          2HB       TYR  51   6.411   1.722  -2.336
  432    HD1  TYR  51          1HD       TYR  51   9.939   1.007  -1.624
  433    HD2  TYR  51          2HD       TYR  51   6.063   1.497   0.087
  434    HE1  TYR  51          1HE       TYR  51  10.965   1.214   0.622
  435    HE2  TYR  51          2HE       TYR  51   7.071   1.705   2.335
  436    HH   TYR  51           HH       TYR  51   8.996   1.721   3.552
  437    H    VAL  52           H        VAL  52   4.404  -0.875  -3.056
  438    HA   VAL  52           HA       VAL  52   4.581  -0.051  -5.871
  439    HB   VAL  52           HB       VAL  52   2.852  -2.273  -4.684
  440   HG11  VAL  52          1HG1      VAL  52   2.185  -2.682  -7.029
  441   HG12  VAL  52          2HG1      VAL  52   1.731  -1.041  -6.510
  442   HG13  VAL  52          3HG1      VAL  52   3.156  -1.284  -7.549
  443   HG21  VAL  52          1HG2      VAL  52   4.173  -3.786  -6.075
  444   HG22  VAL  52          2HG2      VAL  52   5.215  -2.428  -6.560
  445   HG23  VAL  52          3HG2      VAL  52   5.171  -2.954  -4.860
  446    H    CYS  53           H        CYS  53   3.115   1.486  -6.500
  447    HA   CYS  53           HA       CYS  53   0.962   2.038  -4.590
  448    HB2  CYS  53          1HB       CYS  53   2.324   4.112  -6.308
  449    HB3  CYS  53          2HB       CYS  53   1.136   4.378  -5.047
  450    H    CYS  54           H        CYS  54  -1.033   2.933  -5.656
  451    HA   CYS  54           HA       CYS  54  -1.086   2.898  -8.521
  452    HB2  CYS  54          1HB       CYS  54  -3.096   1.352  -8.548
  453    HB3  CYS  54          2HB       CYS  54  -1.511   0.621  -8.382
  454    H    ASN  55           H        ASN  55  -3.147   3.951  -9.296
  455    HA   ASN  55           HA       ASN  55  -3.655   5.921  -7.227
  456    HB2  ASN  55          1HB       ASN  55  -3.726   7.634  -9.106
  457    HB3  ASN  55          2HB       ASN  55  -2.410   6.442  -8.972
  458   HD21  ASN  55          1HD2      ASN  55  -3.528   6.885 -12.521
  459   HD22  ASN  55          2HD2      ASN  55  -3.078   7.986 -11.261
  460    H    THR  56           H        THR  56  -5.240   3.423  -7.513
  461    HA   THR  56           HA       THR  56  -7.836   4.722  -7.937
  462    HB   THR  56           HB       THR  56  -8.698   2.568  -8.878
  463    HG1  THR  56          1HG       THR  56  -7.097   1.027  -9.568
  464   HG21  THR  56          1HG2      THR  56  -7.671   2.763 -11.116
  465   HG22  THR  56          2HG2      THR  56  -8.000   4.369 -10.421
  466   HG23  THR  56          3HG2      THR  56  -6.343   3.724 -10.424
  467    H    ASP  57           H        ASP  57  -9.628   3.131  -7.003
  468    HA   ASP  57           HA       ASP  57  -8.844   3.131  -4.269
  469    HB2  ASP  57          1HB       ASP  57 -11.570   2.624  -5.592
  470    HB3  ASP  57          2HB       ASP  57 -11.130   2.558  -3.867
  471    HD2  ASP  57           HD       ASP  57 -11.780   6.072  -5.416
  472    H    ARG  58           H        ARG  58  -8.576   1.263  -2.946
  473    HA   ARG  58           HA       ARG  58  -8.383  -0.815  -2.375
  474    HB2  ARG  58          1HB       ARG  58 -10.799  -1.233  -4.090
  475    HB3  ARG  58          2HB       ARG  58 -10.163  -2.375  -2.883
  476    HG2  ARG  58          1HG       ARG  58 -10.474  -0.545  -1.160
  477    HG3  ARG  58          2HG       ARG  58 -11.359   0.367  -2.407
  478    HD2  ARG  58          1HD       ARG  58 -12.921  -0.702  -1.012
  479    HD3  ARG  58          2HD       ARG  58 -12.921  -1.530  -2.586
  480    HE   ARG  58           HE       ARG  58 -11.295  -3.003  -0.617
  481   HH11  ARG  58          1HH       ARG  58 -15.100  -3.940  -1.028
  482   HH21  ARG  58          1HH2      ARG  58 -11.819  -4.800   0.104
  483   HH22  ARG  58          2HH2      ARG  58 -13.479  -5.352  -0.016
  484    H    CYS  59           H        CYS  59  -6.768   0.006  -4.635
  485    HA   CYS  59           HA       CYS  59  -6.935  -2.133  -6.561
  486    HB2  CYS  59          1HB       CYS  59  -5.029  -0.953  -7.634
  487    HB3  CYS  59          2HB       CYS  59  -6.496  -0.005  -7.485
  488    H    ASN  60           H        ASN  60  -5.141  -1.122  -3.670
  489    HA   ASN  60           HA       ASN  60  -3.104  -3.102  -4.187
  490    HB2  ASN  60          1HB       ASN  60  -1.951  -2.113  -2.244
  491    HB3  ASN  60          2HB       ASN  60  -2.481  -0.824  -3.303
  492   HD21  ASN  60          1HD2      ASN  60  -1.944  -0.015  -0.913
  493   HD22  ASN  60          2HD2      ASN  60  -3.340   0.284   0.068
  Start of MODEL    8
    1    H1   MET   0          1H        MET   0 -12.883  12.017   1.343
    2    H2   MET   0          2H        MET   0 -12.341  12.577   0.061
    3    H    MET   0           H        MET   0 -13.124  11.247   0.040
    4    H3   MET   0          3H        MET   0 -13.168  11.326   0.042
    5    HA   MET   0           HA       MET   0 -10.388  11.466   0.204
    6    HB2  MET   0          1HB       MET   0 -11.744  10.347   2.663
    7    HB3  MET   0          2HB       MET   0 -10.046  10.010   2.249
    8    HG2  MET   0          1HG       MET   0  -9.461  12.330   2.468
    9    HG3  MET   0          2HG       MET   0 -11.169  12.795   2.651
   10    HE1  MET   0          1HE       MET   0  -9.749  13.561   6.229
   11    HE2  MET   0          2HE       MET   0  -8.937  13.810   4.664
   12    HE3  MET   0          3HE       MET   0 -10.667  14.191   4.840
   13    H    LEU   1           H        LEU   1  -9.306   9.405  -0.287
   14    HA   LEU   1           HA       LEU   1 -11.150   7.704  -1.717
   15    HB2  LEU   1          1HB       LEU   1  -8.216   7.840  -1.399
   16    HB3  LEU   1          2HB       LEU   1  -8.918   6.682  -2.551
   17    HG   LEU   1           HG       LEU   1  -8.943   9.718  -2.700
   18   HD11  LEU   1          1HD1      LEU   1  -7.784   9.308  -4.887
   19   HD12  LEU   1          2HD1      LEU   1  -6.877   8.596  -3.531
   20   HD13  LEU   1          3HD1      LEU   1  -7.867   7.556  -4.584
   21   HD21  LEU   1          1HD2      LEU   1 -10.271   9.475  -4.768
   22   HD22  LEU   1          2HD2      LEU   1 -10.403   7.726  -4.456
   23   HD23  LEU   1          3HD2      LEU   1 -11.135   8.890  -3.325
   24    H    LYS   2           H        LYS   2 -10.138   5.214  -1.703
   25    HA   LYS   2           HA       LYS   2  -9.902   4.481   1.124
   26    HB2  LYS   2          1HB       LYS   2 -11.341   2.490   0.544
   27    HB3  LYS   2          2HB       LYS   2 -12.177   4.057   0.649
   28    HG2  LYS   2          1HG       LYS   2 -12.124   4.226  -1.823
   29    HG3  LYS   2          2HG       LYS   2 -11.351   2.625  -1.899
   30    HD2  LYS   2          1HD       LYS   2 -13.311   1.621  -0.802
   31    HD3  LYS   2          2HD       LYS   2 -14.084   3.222  -0.712
   32    HE2  LYS   2          1HE       LYS   2 -13.988   3.362  -3.193
   33    HE3  LYS   2          2HE       LYS   2 -13.325   1.711  -3.232
   34    HZ1  LYS   2          1HZ       LYS   2 -15.698   1.727  -3.602
   35    HZ2  LYS   2          2HZ       LYS   2 -15.350   0.944  -2.192
   36    H    CYS   3           H        CYS   3  -8.300   3.012   1.528
   37    HA   CYS   3           HA       CYS   3  -7.366   1.479  -0.788
   38    HB2  CYS   3          1HB       CYS   3  -5.668   2.471   1.509
   39    HB3  CYS   3          2HB       CYS   3  -5.119   1.487   0.167
   40    H    ASN   4           H        ASN   4  -6.136  -0.612   0.121
   41    HA   ASN   4           HA       ASN   4  -8.228  -1.782   1.728
   42    HB2  ASN   4          1HB       ASN   4  -6.221  -3.216  -0.158
   43    HB3  ASN   4          2HB       ASN   4  -7.304  -3.769   1.144
   44   HD21  ASN   4          1HD2      ASN   4  -8.798  -3.618  -2.411
   45   HD22  ASN   4          2HD2      ASN   4  -7.176  -3.976  -1.918
   46    H    LYS   5           H        LYS   5  -7.771  -2.853   3.734
   47    HA   LYS   5           HA       LYS   5  -5.259  -2.371   4.968
   48    HB2  LYS   5          1HB       LYS   5  -7.589  -4.182   5.669
   49    HB3  LYS   5          2HB       LYS   5  -6.192  -3.876   6.729
   50    HG2  LYS   5          1HG       LYS   5  -6.793  -1.456   6.750
   51    HG3  LYS   5          2HG       LYS   5  -8.245  -1.842   5.797
   52    HD2  LYS   5          1HD       LYS   5  -8.998  -3.363   7.608
   53    HD3  LYS   5          2HD       LYS   5  -7.574  -2.892   8.567
   54    HE2  LYS   5          1HE       LYS   5  -8.331  -0.561   8.566
   55    HE3  LYS   5          2HE       LYS   5  -9.743  -1.013   7.583
   56    HZ1  LYS   5          1HZ       LYS   5 -10.297  -0.848   9.914
   57    HZ2  LYS   5          2HZ       LYS   5 -10.479  -2.405   9.398
   58    H    LEU   6           H        LEU   6  -4.251  -4.490   6.149
   59    HA   LEU   6           HA       LEU   6  -2.968  -5.982   4.234
   60    HB2  LEU   6          1HB       LEU   6  -2.263  -5.753   6.410
   61    HB3  LEU   6          2HB       LEU   6  -3.617  -6.621   7.171
   62    HG   LEU   6           HG       LEU   6  -2.892  -8.706   6.067
   63   HD11  LEU   6          1HD1      LEU   6  -0.648  -8.773   4.946
   64   HD12  LEU   6          2HD1      LEU   6  -1.762  -7.675   4.098
   65   HD13  LEU   6          3HD1      LEU   6  -0.503  -7.013   5.168
   66   HD21  LEU   6          1HD2      LEU   6  -0.857  -9.096   7.412
   67   HD22  LEU   6          2HD2      LEU   6  -0.722  -7.341   7.683
   68   HD23  LEU   6          3HD2      LEU   6  -2.124  -8.234   8.318
   69    H    VAL   7           H        VAL   7  -6.065  -6.620   5.959
   70    HA   VAL   7           HA       VAL   7  -6.460  -8.923   4.198
   71    HB   VAL   7           HB       VAL   7  -8.148  -7.944   6.549
   72   HG11  VAL   7          1HG1      VAL   7  -9.145 -10.203   6.428
   73   HG12  VAL   7          2HG1      VAL   7  -9.378  -9.317   4.903
   74   HG13  VAL   7          3HG1      VAL   7  -8.125 -10.577   5.018
   75   HG21  VAL   7          1HG2      VAL   7  -7.157  -9.775   7.827
   76   HG22  VAL   7          2HG2      VAL   7  -6.068 -10.134   6.466
   77   HG23  VAL   7          3HG2      VAL   7  -5.941  -8.579   7.323
   78    HA   PRO   8           HA       PRO   8  -8.386  -6.318   1.509
   79    HB2  PRO   8          1HB       PRO   8  -9.713  -8.752   0.404
   80    HB3  PRO   8          2HB       PRO   8  -8.744  -7.568  -0.484
   81    HG2  PRO   8          1HG       PRO   8  -7.668  -9.924   0.145
   82    HG3  PRO   8          2HG       PRO   8  -6.691  -8.457   0.298
   83    HD2  PRO   8          1HD       PRO   8  -8.044 -10.080   2.487
   84    HD3  PRO   8          2HD       PRO   8  -6.473  -9.267   2.516
   85    H    ILE   9           H        ILE   9 -10.139  -7.987   3.784
   86    HA   ILE   9           HA       ILE   9 -12.697  -7.489   2.564
   87    HB   ILE   9           HB       ILE   9 -13.605  -8.697   4.482
   88   HG12  ILE   9          1HG1      ILE   9 -10.854  -8.477   5.675
   89   HG13  ILE   9          2HG1      ILE   9 -12.301  -7.574   6.179
   90   HG21  ILE   9          1HG2      ILE   9 -12.328 -10.809   4.361
   91   HG22  ILE   9          2HG2      ILE   9 -12.509 -10.079   2.749
   92   HG23  ILE   9          3HG2      ILE   9 -10.963  -9.942   3.619
   93   HD11  ILE   9          1HD1      ILE   9 -11.862  -9.465   7.694
   94   HD12  ILE   9          2HD1      ILE   9 -13.397  -9.686   6.821
   95   HD13  ILE   9          3HD1      ILE   9 -11.949 -10.589   6.319
   96    H    ALA  10           H        ALA  10 -10.504  -5.559   4.151
   97    HA   ALA  10           HA       ALA  10 -12.642  -3.790   5.033
   98    HB1  ALA  10          1HB       ALA  10 -10.368  -4.818   6.769
   99    HB2  ALA  10          2HB       ALA  10 -11.302  -3.352   7.152
  100    HB3  ALA  10          3HB       ALA  10 -12.117  -4.933   7.079
  101    H    TYR  11           H        TYR  11 -12.146  -1.609   4.718
  102    HA   TYR  11           HA       TYR  11  -9.489  -1.125   3.547
  103    HB2  TYR  11          1HB       TYR  11 -10.526   0.553   2.158
  104    HB3  TYR  11          2HB       TYR  11 -11.257  -1.051   1.895
  105    HD1  TYR  11          1HD       TYR  11 -11.818   2.354   3.166
  106    HD2  TYR  11          2HD       TYR  11 -13.558  -1.498   2.601
  107    HE1  TYR  11          1HE       TYR  11 -14.060   3.311   3.601
  108    HE2  TYR  11          2HE       TYR  11 -15.802  -0.560   3.033
  109    HH   TYR  11           HH       TYR  11 -17.010   1.306   3.531
  110    H    LYS  12           H        LYS  12  -8.627   1.086   3.841
  111    HA   LYS  12           HA       LYS  12  -9.766   2.377   6.221
  112    HB2  LYS  12          1HB       LYS  12  -6.974   2.400   5.045
  113    HB3  LYS  12          2HB       LYS  12  -7.503   3.446   6.383
  114    HG2  LYS  12          1HG       LYS  12  -7.994   1.418   7.733
  115    HG3  LYS  12          2HG       LYS  12  -7.365   0.411   6.405
  116    HD2  LYS  12          1HD       LYS  12  -5.166   1.426   6.621
  117    HD3  LYS  12          2HD       LYS  12  -5.775   2.552   7.858
  118    HE2  LYS  12          1HE       LYS  12  -6.312   0.621   9.314
  119    HE3  LYS  12          2HE       LYS  12  -5.622  -0.469   8.089
  120    HZ1  LYS  12          1HZ       LYS  12  -4.043   0.029   9.827
  121    HZ2  LYS  12          2HZ       LYS  12  -3.510   0.636   8.388
  122    H    THR  13           H        THR  13 -10.176   4.623   6.172
  123    HA   THR  13           HA       THR  13 -10.439   5.780   3.546
  124    HB   THR  13           HB       THR  13 -10.819   6.975   6.335
  125    HG1  THR  13          1HG       THR  13 -13.061   6.603   5.835
  126   HG21  THR  13          1HG2      THR  13 -12.131   8.705   5.156
  127   HG22  THR  13          2HG2      THR  13 -10.446   8.680   4.584
  128   HG23  THR  13          3HG2      THR  13 -11.732   7.946   3.597
  129    H    CYS  14           H        CYS  14  -9.117   7.182   2.514
  130    HA   CYS  14           HA       CYS  14  -6.459   7.219   3.458
  131    HB2  CYS  14          1HB       CYS  14  -7.812   8.534   1.103
  132    HB3  CYS  14          2HB       CYS  14  -6.097   8.692   1.428
  133    HA   PRO  15           HA       PRO  15  -6.612  11.145   5.467
  134    HB2  PRO  15          1HB       PRO  15  -3.999  11.792   5.669
  135    HB3  PRO  15          2HB       PRO  15  -4.639  10.456   6.637
  136    HG2  PRO  15          1HG       PRO  15  -3.195  10.353   3.965
  137    HG3  PRO  15          2HG       PRO  15  -2.933   9.363   5.408
  138    HD2  PRO  15          1HD       PRO  15  -4.454   8.485   3.277
  139    HD3  PRO  15          2HD       PRO  15  -4.771   7.956   4.934
  140    H    GLU  16           H        GLU  16  -6.437  13.431   5.146
  141    HA   GLU  16           HA       GLU  16  -6.893  14.099   2.523
  142    HB2  GLU  16          1HB       GLU  16  -7.584  15.429   4.454
  143    HB3  GLU  16          2HB       GLU  16  -5.882  15.797   4.824
  144    HG2  GLU  16          1HG       GLU  16  -5.733  17.100   2.647
  145    HG3  GLU  16          2HG       GLU  16  -7.418  16.594   2.386
  146    HE2  GLU  16           HE       GLU  16  -7.445  19.860   3.985
  147    H    GLY  17           H        GLY  17  -5.604  14.743   0.798
  148    HA2  GLY  17          1HA       GLY  17  -3.704  15.751  -0.114
  149    HA3  GLY  17          2HA       GLY  17  -2.792  15.383   1.336
  150    H    LYS  18           H        LYS  18  -4.116  12.547   1.293
  151    HA   LYS  18           HA       LYS  18  -2.191  11.419  -0.581
  152    HB2  LYS  18          1HB       LYS  18  -3.903  10.256   1.634
  153    HB3  LYS  18          2HB       LYS  18  -2.877   9.277   0.559
  154    HG2  LYS  18          1HG       LYS  18  -1.842   9.747   2.788
  155    HG3  LYS  18          2HG       LYS  18  -0.877  10.319   1.407
  156    HD2  LYS  18          1HD       LYS  18  -1.485  12.576   1.773
  157    HD3  LYS  18          2HD       LYS  18  -2.821  12.123   2.858
  158    HE2  LYS  18          1HE       LYS  18  -0.928  13.017   4.127
  159    HE3  LYS  18          2HE       LYS  18  -1.217  11.306   4.517
  160    HZ1  LYS  18          1HZ       LYS  18   1.120  11.765   4.210
  161    HZ2  LYS  18          2HZ       LYS  18   0.589  10.731   3.040
  162    H    ASN  19           H        ASN  19  -2.891   9.593  -2.009
  163    HA   ASN  19           HA       ASN  19  -5.610   9.868  -2.869
  164    HB2  ASN  19          1HB       ASN  19  -4.439  11.968  -3.960
  165    HB3  ASN  19          2HB       ASN  19  -3.376  10.634  -4.470
  166   HD21  ASN  19          1HD2      ASN  19  -6.738  11.567  -6.509
  167   HD22  ASN  19          2HD2      ASN  19  -6.247  12.402  -5.073
  168    H    LEU  20           H        LEU  20  -2.310   8.579  -3.019
  169    HA   LEU  20           HA       LEU  20  -3.091   6.521  -4.924
  170    HB2  LEU  20          1HB       LEU  20  -0.571   7.006  -3.459
  171    HB3  LEU  20          2HB       LEU  20  -0.646   5.956  -4.894
  172    HG   LEU  20           HG       LEU  20  -0.861   8.983  -4.760
  173   HD11  LEU  20          1HD1      LEU  20   1.052   8.865  -6.380
  174   HD12  LEU  20          2HD1      LEU  20   1.438   8.026  -4.859
  175   HD13  LEU  20          3HD1      LEU  20   0.986   7.089  -6.303
  176   HD21  LEU  20          1HD2      LEU  20  -1.307   8.946  -7.190
  177   HD22  LEU  20          2HD2      LEU  20  -1.423   7.171  -7.123
  178   HD23  LEU  20          3HD2      LEU  20  -2.600   8.172  -6.242
  179    H    CYS  21           H        CYS  21  -2.878   4.236  -4.417
  180    HA   CYS  21           HA       CYS  21  -2.854   3.725  -1.534
  181    HB2  CYS  21          1HB       CYS  21  -3.974   2.064  -3.797
  182    HB3  CYS  21          2HB       CYS  21  -3.889   1.539  -2.128
  183    H    TYR  22           H        TYR  22  -1.212   2.397  -0.702
  184    HA   TYR  22           HA       TYR  22   0.729   1.424  -2.691
  185    HB2  TYR  22          1HB       TYR  22   2.488   2.094  -1.327
  186    HB3  TYR  22          2HB       TYR  22   1.362   3.472  -1.364
  187    HD1  TYR  22          1HD       TYR  22   2.721   0.741   0.723
  188    HD2  TYR  22          2HD       TYR  22   0.204   4.182   0.636
  189    HE1  TYR  22          1HE       TYR  22   2.645   0.740   3.200
  190    HE2  TYR  22          2HE       TYR  22   0.118   4.195   3.106
  191    HH   TYR  22           HH       TYR  22   0.801   3.185   5.029
  192    H    LYS  23           H        LYS  23   1.818  -0.562  -2.216
  193    HA   LYS  23           HA       LYS  23   1.019  -1.839   0.296
  194    HB2  LYS  23          1HB       LYS  23   0.980  -4.001  -0.864
  195    HB3  LYS  23          2HB       LYS  23  -0.276  -2.889  -1.461
  196    HG2  LYS  23          1HG       LYS  23   1.033  -2.413  -3.453
  197    HG3  LYS  23          2HG       LYS  23   2.379  -3.404  -2.842
  198    HD2  LYS  23          1HD       LYS  23   0.906  -4.524  -4.570
  199    HD3  LYS  23          2HD       LYS  23   1.113  -5.415  -3.044
  200    HE2  LYS  23          1HE       LYS  23  -1.042  -4.615  -2.245
  201    HE3  LYS  23          2HE       LYS  23  -1.244  -3.626  -3.709
  202    HZ1  LYS  23          1HZ       LYS  23  -2.464  -5.689  -3.854
  203    HZ2  LYS  23          2HZ       LYS  23  -1.274  -5.654  -4.996
  204    H    MET  24           H        MET  24   2.650  -3.186   1.243
  205    HA   MET  24           HA       MET  24   5.274  -2.550   0.131
  206    HB2  MET  24          1HB       MET  24   4.353  -2.956   2.986
  207    HB3  MET  24          2HB       MET  24   6.055  -2.767   2.502
  208    HG2  MET  24          1HG       MET  24   5.610  -0.522   1.685
  209    HG3  MET  24          2HG       MET  24   3.877  -0.708   2.043
  210    HE1  MET  24          1HE       MET  24   7.116  -0.679   5.361
  211    HE2  MET  24          2HE       MET  24   6.787  -2.072   4.302
  212    HE3  MET  24          3HE       MET  24   7.503  -0.588   3.626
  213    H    PHE  25           H        PHE  25   6.781  -4.210  -0.153
  214    HA   PHE  25           HA       PHE  25   5.908  -6.862   0.761
  215    HB2  PHE  25          1HB       PHE  25   7.675  -5.910  -1.574
  216    HB3  PHE  25          2HB       PHE  25   7.424  -7.600  -1.188
  217    HD1  PHE  25          1HD       PHE  25   5.830  -4.559  -2.464
  218    HD2  PHE  25          2HD       PHE  25   5.382  -8.716  -1.780
  219    HE1  PHE  25          1HE       PHE  25   3.776  -4.578  -3.927
  220    HE2  PHE  25          2HE       PHE  25   3.338  -8.742  -3.238
  221    HZ   PHE  25           HZ       PHE  25   2.559  -6.675  -4.294
  222    H    MET  26           H        MET  26   7.744  -8.392   1.311
  223    HA   MET  26           HA       MET  26  10.193  -6.920   1.914
  224    HB2  MET  26          1HB       MET  26   9.031  -9.427   3.150
  225    HB3  MET  26          2HB       MET  26  10.661  -8.804   3.501
  226    HG2  MET  26          1HG       MET  26   9.690  -6.745   4.406
  227    HG3  MET  26          2HG       MET  26   8.055  -7.342   4.031
  228    HE1  MET  26          1HE       MET  26   8.175  -7.506   7.970
  229    HE2  MET  26          2HE       MET  26   8.937  -6.281   6.927
  230    HE3  MET  26          3HE       MET  26   7.303  -6.880   6.550
  231    H    MET  27           H        MET  27  12.216  -7.856   1.266
  232    HA   MET  27           HA       MET  27  12.173  -8.809  -1.249
  233    HB2  MET  27          1HB       MET  27  14.200  -9.023   0.969
  234    HB3  MET  27          2HB       MET  27  14.548  -9.645  -0.662
  235    HG2  MET  27          1HG       MET  27  13.851  -6.781   0.058
  236    HG3  MET  27          2HG       MET  27  15.473  -7.393  -0.345
  237    HE1  MET  27          1HE       MET  27  15.177  -8.262  -4.128
  238    HE2  MET  27          2HE       MET  27  16.266  -8.064  -2.733
  239    HE3  MET  27          3HE       MET  27  15.035  -9.351  -2.727
  240    H    SER  28           H        SER  28  11.979 -10.664   1.790
  241    HA   SER  28           HA       SER  28  12.372 -13.175   0.665
  242    HB2  SER  28          1HB       SER  28  12.420 -12.760   3.061
  243    HB3  SER  28          2HB       SER  28  10.708 -12.282   3.041
  244    HG   SER  28           HG       SER  28  11.020 -14.443   3.735
  245    H    ASP  29           H        ASP  29   9.244 -11.583   1.665
  246    HA   ASP  29           HA       ASP  29   7.891 -13.465  -0.052
  247    HB2  ASP  29          1HB       ASP  29   7.126 -13.086   2.374
  248    HB3  ASP  29          2HB       ASP  29   6.835 -11.426   1.799
  249    HD2  ASP  29           HD       ASP  29   3.715 -13.330   1.534
  250    H    LEU  30           H        LEU  30   8.557 -12.391  -2.109
  251    HA   LEU  30           HA       LEU  30   7.657  -9.709  -2.579
  252    HB2  LEU  30          1HB       LEU  30   8.954 -11.910  -3.946
  253    HB3  LEU  30          2HB       LEU  30   8.191 -10.773  -5.080
  254    HG   LEU  30           HG       LEU  30   9.831  -9.248  -4.825
  255   HD11  LEU  30          1HD1      LEU  30  10.770  -8.597  -2.591
  256   HD12  LEU  30          2HD1      LEU  30   8.992  -8.643  -2.556
  257   HD13  LEU  30          3HD1      LEU  30   9.932  -9.981  -1.853
  258   HD21  LEU  30          1HD2      LEU  30  12.025 -10.130  -4.109
  259   HD22  LEU  30          2HD2      LEU  30  11.206 -11.546  -3.406
  260   HD23  LEU  30          3HD2      LEU  30  11.139 -11.261  -5.161
  261    H    THR  31           H        THR  31   6.223 -12.846  -2.472
  262    HA   THR  31           HA       THR  31   4.486 -12.519  -4.719
  263    HB   THR  31           HB       THR  31   4.388 -14.440  -2.339
  264    HG1  THR  31          1HG       THR  31   5.333 -15.886  -3.896
  265   HG21  THR  31          1HG2      THR  31   2.940 -15.812  -3.795
  266   HG22  THR  31          2HG2      THR  31   2.208 -14.219  -3.483
  267   HG23  THR  31          3HG2      THR  31   2.996 -14.546  -5.044
  268    H    ILE  32           H        ILE  32   4.176 -12.117  -1.150
  269    HA   ILE  32           HA       ILE  32   1.559 -10.897  -1.687
  270    HB   ILE  32           HB       ILE  32   2.370 -12.785   0.576
  271   HG12  ILE  32          1HG1      ILE  32   1.738 -13.872  -1.476
  272   HG13  ILE  32          2HG1      ILE  32   0.562 -14.156  -0.172
  273   HG21  ILE  32          1HG2      ILE  32   0.113 -12.380   1.499
  274   HG22  ILE  32          2HG2      ILE  32   1.070 -10.881   1.470
  275   HG23  ILE  32          3HG2      ILE  32  -0.184 -11.158   0.239
  276   HD11  ILE  32          1HD1      ILE  32  -0.572 -13.774  -2.325
  277   HD12  ILE  32          2HD1      ILE  32  -0.944 -12.477  -1.164
  278   HD13  ILE  32          3HD1      ILE  32   0.231 -12.194  -2.469
  279    HA   PRO  33           HA       PRO  33   3.483  -7.616   0.440
  280    HB2  PRO  33          1HB       PRO  33   1.469  -5.790   0.355
  281    HB3  PRO  33          2HB       PRO  33   2.413  -6.144  -1.098
  282    HG2  PRO  33          1HG       PRO  33  -0.263  -7.291  -0.236
  283    HG3  PRO  33          2HG       PRO  33   0.233  -6.702  -1.829
  284    HD2  PRO  33          1HD       PRO  33   0.230  -9.382  -1.225
  285    HD3  PRO  33          2HD       PRO  33   1.409  -8.693  -2.347
  286    H    VAL  34           H        VAL  34   3.242  -6.263   2.435
  287    HA   VAL  34           HA       VAL  34   1.998  -8.145   4.319
  288    HB   VAL  34           HB       VAL  34   3.896  -7.629   5.845
  289   HG11  VAL  34          1HG1      VAL  34   5.665  -8.828   4.602
  290   HG12  VAL  34          2HG1      VAL  34   4.073  -9.577   4.333
  291   HG13  VAL  34          3HG1      VAL  34   4.791  -8.538   3.079
  292   HG21  VAL  34          1HG2      VAL  34   5.849  -6.406   5.031
  293   HG22  VAL  34          2HG2      VAL  34   4.982  -6.029   3.523
  294   HG23  VAL  34          3HG2      VAL  34   4.391  -5.386   5.074
  295    H    LYS  35           H        LYS  35   2.358  -4.868   3.191
  296    HA   LYS  35           HA       LYS  35   0.498  -4.040   5.259
  297    HB2  LYS  35          1HB       LYS  35   3.219  -2.793   4.840
  298    HB3  LYS  35          2HB       LYS  35   1.887  -1.900   5.544
  299    HG2  LYS  35          1HG       LYS  35   1.629  -3.838   7.223
  300    HG3  LYS  35          2HG       LYS  35   3.143  -4.466   6.609
  301    HD2  LYS  35          1HD       LYS  35   3.843  -3.165   8.448
  302    HD3  LYS  35          2HD       LYS  35   4.109  -2.082   7.097
  303    HE2  LYS  35          1HE       LYS  35   1.991  -0.915   7.534
  304    HE3  LYS  35          2HE       LYS  35   1.550  -2.082   8.764
  305    HZ1  LYS  35          1HZ       LYS  35   4.084  -0.725   9.085
  306    HZ2  LYS  35          2HZ       LYS  35   2.732   0.154   9.346
  307    H    ARG  36           H        ARG  36  -0.950  -2.448   4.550
  308    HA   ARG  36           HA       ARG  36  -0.366  -1.264   1.987
  309    HB2  ARG  36          1HB       ARG  36  -2.854  -2.839   2.505
  310    HB3  ARG  36          2HB       ARG  36  -2.614  -1.728   1.137
  311    HG2  ARG  36          1HG       ARG  36  -1.950  -3.588   0.047
  312    HG3  ARG  36          2HG       ARG  36  -0.414  -3.304   0.899
  313    HD2  ARG  36          1HD       ARG  36  -0.994  -5.589   1.071
  314    HD3  ARG  36          2HD       ARG  36  -1.173  -4.823   2.667
  315    HE   ARG  36           HE       ARG  36  -3.611  -5.285   2.492
  316   HH11  ARG  36          1HH       ARG  36  -3.313  -6.999  -1.044
  317   HH21  ARG  36          1HH2      ARG  36  -5.228  -6.314   1.898
  318   HH22  ARG  36          2HH2      ARG  36  -5.235  -7.134   0.348
  319    H    GLY  37           H        GLY  37  -1.519   0.766   1.647
  320    HA2  GLY  37          1HA       GLY  37  -3.525   1.704   3.414
  321    HA3  GLY  37          2HA       GLY  37  -1.955   2.292   3.927
  322    H    CYS  38           H        CYS  38  -2.966   4.453   3.374
  323    HA   CYS  38           HA       CYS  38  -2.995   4.926   0.495
  324    HB2  CYS  38          1HB       CYS  38  -3.850   6.461   3.063
  325    HB3  CYS  38          2HB       CYS  38  -4.154   7.079   1.421
  326    H    ILE  39           H        ILE  39  -1.694   6.729  -0.367
  327    HA   ILE  39           HA       ILE  39  -0.142   8.281   1.456
  328    HB   ILE  39           HB       ILE  39   1.279   6.179   1.138
  329   HG12  ILE  39          1HG1      ILE  39   2.611   8.552  -0.099
  330   HG13  ILE  39          2HG1      ILE  39   2.058   8.571   1.592
  331   HG21  ILE  39          1HG2      ILE  39   2.408   5.917  -1.046
  332   HG22  ILE  39          2HG2      ILE  39   0.647   5.728  -1.210
  333   HG23  ILE  39          3HG2      ILE  39   1.429   7.245  -1.712
  334   HD11  ILE  39          1HD1      ILE  39   4.439   7.959   1.442
  335   HD12  ILE  39          2HD1      ILE  39   3.469   6.610   2.076
  336   HD13  ILE  39          3HD1      ILE  39   4.022   6.591   0.386
  337    H    ASP  40           H        ASP  40   1.073  10.024   0.250
  338    HA   ASP  40           HA       ASP  40  -0.603  10.805  -1.945
  339    HB2  ASP  40          1HB       ASP  40   0.584  13.060  -1.639
  340    HB3  ASP  40          2HB       ASP  40  -0.323  12.305  -0.305
  341    HD2  ASP  40           HD       ASP  40   3.042  13.442   0.805
  342    H    VAL  41           H        VAL  41   2.922  10.394  -1.134
  343    HA   VAL  41           HA       VAL  41   3.470  10.323  -4.022
  344    HB   VAL  41           HB       VAL  41   5.286  11.178  -1.720
  345   HG11  VAL  41          1HG1      VAL  41   6.890  11.775  -3.504
  346   HG12  VAL  41          2HG1      VAL  41   6.522  10.034  -3.530
  347   HG13  VAL  41          3HG1      VAL  41   5.775  11.119  -4.726
  348   HG21  VAL  41          1HG2      VAL  41   5.196  13.397  -2.739
  349   HG22  VAL  41          2HG2      VAL  41   4.020  12.799  -3.933
  350   HG23  VAL  41          3HG2      VAL  41   3.592  12.841  -2.205
  351    H    CYS  42           H        CYS  42   4.288   8.447  -4.830
  352    HA   CYS  42           HA       CYS  42   4.341   6.221  -3.102
  353    HB2  CYS  42          1HB       CYS  42   3.601   6.124  -5.442
  354    HB3  CYS  42          2HB       CYS  42   5.232   6.467  -5.983
  355    HA   PRO  43           HA       PRO  43   8.550   6.789  -1.972
  356    HB2  PRO  43          1HB       PRO  43   8.815   4.721  -0.216
  357    HB3  PRO  43          2HB       PRO  43   7.944   6.190   0.246
  358    HG2  PRO  43          1HG       PRO  43   6.840   3.568  -0.809
  359    HG3  PRO  43          2HG       PRO  43   6.242   4.574   0.518
  360    HD2  PRO  43          1HD       PRO  43   5.107   4.665  -1.982
  361    HD3  PRO  43          2HD       PRO  43   5.164   6.095  -0.943
  362    H    LYS  44           H        LYS  44  10.576   6.175  -2.636
  363    HA   LYS  44           HA       LYS  44  10.526   4.341  -4.787
  364    HB2  LYS  44          1HB       LYS  44  12.776   5.631  -3.217
  365    HB3  LYS  44          2HB       LYS  44  13.016   4.652  -4.683
  366    HG2  LYS  44          1HG       LYS  44  11.690   6.268  -5.982
  367    HG3  LYS  44          2HG       LYS  44  11.447   7.248  -4.517
  368    HD2  LYS  44          1HD       LYS  44  13.863   7.619  -4.341
  369    HD3  LYS  44          2HD       LYS  44  14.135   6.600  -5.775
  370    HE2  LYS  44          1HE       LYS  44  12.820   8.166  -7.140
  371    HE3  LYS  44          2HE       LYS  44  12.546   9.184  -5.707
  372    HZ1  LYS  44          1HZ       LYS  44  14.347  10.017  -7.060
  373    HZ2  LYS  44          2HZ       LYS  44  14.919   9.540  -5.587
  374    H    ASN  45           H        ASN  45  11.951   2.378  -4.940
  375    HA   ASN  45           HA       ASN  45  11.089   0.699  -2.858
  376    HB2  ASN  45          1HB       ASN  45  12.822  -0.107  -5.307
  377    HB3  ASN  45          2HB       ASN  45  12.141  -0.946  -3.892
  378   HD21  ASN  45          1HD2      ASN  45   9.940  -0.920  -7.032
  379   HD22  ASN  45          2HD2      ASN  45  11.661  -1.047  -6.873
  380    H    SER  46           H        SER  46  12.417  -0.446  -1.297
  381    HA   SER  46           HA       SER  46  15.095   0.677  -1.044
  382    HB2  SER  46          1HB       SER  46  14.916   0.181   1.333
  383    HB3  SER  46          2HB       SER  46  13.517   1.141   0.801
  384    HG   SER  46           HG       SER  46  12.310  -0.779   0.751
  385    H    LEU  47           H        LEU  47  16.492  -1.058   0.436
  386    HA   LEU  47           HA       LEU  47  16.795  -3.245  -1.377
  387    HB2  LEU  47          1HB       LEU  47  18.029  -2.436   1.181
  388    HB3  LEU  47          2HB       LEU  47  18.721  -3.806   0.281
  389    HG   LEU  47           HG       LEU  47  18.589  -0.909  -0.643
  390   HD11  LEU  47          1HD1      LEU  47  21.090  -1.029  -0.497
  391   HD12  LEU  47          2HD1      LEU  47  20.335  -1.338   1.084
  392   HD13  LEU  47          3HD1      LEU  47  20.959  -2.694   0.115
  393   HD21  LEU  47          1HD2      LEU  47  19.900  -1.675  -2.592
  394   HD22  LEU  47          2HD2      LEU  47  19.739  -3.352  -2.019
  395   HD23  LEU  47          3HD2      LEU  47  18.293  -2.435  -2.504
  396    H    LEU  48           H        LEU  48  15.141  -2.647   1.655
  397    HA   LEU  48           HA       LEU  48  15.200  -5.484   2.323
  398    HB2  LEU  48          1HB       LEU  48  14.245  -3.029   3.660
  399    HB3  LEU  48          2HB       LEU  48  14.113  -4.591   4.500
  400    HG   LEU  48           HG       LEU  48  16.673  -3.156   3.696
  401   HD11  LEU  48          1HD1      LEU  48  17.061  -3.050   6.172
  402   HD12  LEU  48          2HD1      LEU  48  15.557  -2.216   5.717
  403   HD13  LEU  48          3HD1      LEU  48  15.490  -3.842   6.436
  404   HD21  LEU  48          1HD2      LEU  48  17.853  -5.003   4.836
  405   HD22  LEU  48          2HD2      LEU  48  16.295  -5.832   5.068
  406   HD23  LEU  48          3HD2      LEU  48  16.918  -5.553   3.424
  407    H    VAL  49           H        VAL  49  12.914  -2.753   1.693
  408    HA   VAL  49           HA       VAL  49  10.842  -4.791   1.263
  409    HB   VAL  49           HB       VAL  49   9.200  -3.076   2.106
  410   HG11  VAL  49          1HG1      VAL  49   9.725  -3.367   4.505
  411   HG12  VAL  49          2HG1      VAL  49  10.010  -4.872   3.600
  412   HG13  VAL  49          3HG1      VAL  49  11.384  -3.849   4.084
  413   HG21  VAL  49          1HG2      VAL  49  10.017  -1.176   3.409
  414   HG22  VAL  49          2HG2      VAL  49  11.688  -1.581   2.949
  415   HG23  VAL  49          3HG2      VAL  49  10.517  -1.082   1.705
  416    H    LYS  50           H        LYS  50   9.365  -4.373  -0.451
  417    HA   LYS  50           HA       LYS  50  10.315  -2.282  -2.273
  418    HB2  LYS  50          1HB       LYS  50  10.432  -4.553  -3.149
  419    HB3  LYS  50          2HB       LYS  50   8.722  -4.822  -2.734
  420    HG2  LYS  50          1HG       LYS  50   8.073  -3.071  -4.364
  421    HG3  LYS  50          2HG       LYS  50   9.785  -2.870  -4.805
  422    HD2  LYS  50          1HD       LYS  50   9.888  -5.194  -5.563
  423    HD3  LYS  50          2HD       LYS  50   8.197  -5.446  -5.066
  424    HE2  LYS  50          1HE       LYS  50   7.492  -3.698  -6.673
  425    HE3  LYS  50          2HE       LYS  50   9.181  -3.525  -7.199
  426    HZ1  LYS  50          1HZ       LYS  50   7.937  -4.962  -8.666
  427    HZ2  LYS  50          2HZ       LYS  50   9.128  -5.818  -7.911
  428    H    TYR  51           H        TYR  51   8.808  -0.853  -3.260
  429    HA   TYR  51           HA       TYR  51   6.242  -0.759  -1.821
  430    HB2  TYR  51          1HB       TYR  51   7.994   1.464  -2.873
  431    HB3  TYR  51          2HB       TYR  51   6.358   1.678  -2.202
  432    HD1  TYR  51          1HD       TYR  51   9.883   1.119  -1.424
  433    HD2  TYR  51          2HD       TYR  51   5.949   1.265   0.211
  434    HE1  TYR  51          1HE       TYR  51  10.845   1.276   0.853
  435    HE2  TYR  51          2HE       TYR  51   6.890   1.420   2.491
  436    HH   TYR  51           HH       TYR  51   8.782   1.501   3.755
  437    H    VAL  52           H        VAL  52   4.429  -0.928  -3.050
  438    HA   VAL  52           HA       VAL  52   4.666  -0.063  -5.848
  439    HB   VAL  52           HB       VAL  52   2.952  -2.332  -4.726
  440   HG11  VAL  52          1HG1      VAL  52   2.341  -2.725  -7.090
  441   HG12  VAL  52          2HG1      VAL  52   1.842  -1.101  -6.561
  442   HG13  VAL  52          3HG1      VAL  52   3.294  -1.302  -7.573
  443   HG21  VAL  52          1HG2      VAL  52   4.331  -3.802  -6.108
  444   HG22  VAL  52          2HG2      VAL  52   5.356  -2.416  -6.556
  445   HG23  VAL  52          3HG2      VAL  52   5.287  -2.963  -4.863
  446    H    CYS  53           H        CYS  53   3.234   1.499  -6.466
  447    HA   CYS  53           HA       CYS  53   1.031   2.007  -4.601
  448    HB2  CYS  53          1HB       CYS  53   2.416   4.095  -6.284
  449    HB3  CYS  53          2HB       CYS  53   1.207   4.353  -5.041
  450    H    CYS  54           H        CYS  54  -0.964   2.855  -5.672
  451    HA   CYS  54           HA       CYS  54  -0.983   2.837  -8.545
  452    HB2  CYS  54          1HB       CYS  54  -2.987   1.293  -8.588
  453    HB3  CYS  54          2HB       CYS  54  -1.410   0.558  -8.388
  454    H    ASN  55           H        ASN  55  -3.044   3.900  -9.339
  455    HA   ASN  55           HA       ASN  55  -3.417   5.931  -7.301
  456    HB2  ASN  55          1HB       ASN  55  -3.449   7.601  -9.214
  457    HB3  ASN  55          2HB       ASN  55  -2.202   6.336  -9.108
  458   HD21  ASN  55          1HD2      ASN  55  -3.444   6.784 -12.617
  459   HD22  ASN  55          2HD2      ASN  55  -2.883   7.880 -11.399
  460    H    THR  56           H        THR  56  -5.130   3.503  -7.496
  461    HA   THR  56           HA       THR  56  -7.674   4.909  -7.870
  462    HB   THR  56           HB       THR  56  -8.649   2.788  -8.791
  463    HG1  THR  56          1HG       THR  56  -7.124   1.198  -9.543
  464   HG21  THR  56          1HG2      THR  56  -7.687   2.965 -11.059
  465   HG22  THR  56          2HG2      THR  56  -7.939   4.575 -10.342
  466   HG23  THR  56          3HG2      THR  56  -6.305   3.873 -10.403
  467    H    ASP  57           H        ASP  57  -9.511   3.377  -6.910
  468    HA   ASP  57           HA       ASP  57  -8.689   3.340  -4.194
  469    HB2  ASP  57          1HB       ASP  57 -11.433   2.909  -5.498
  470    HB3  ASP  57          2HB       ASP  57 -10.990   2.776  -3.779
  471    HD2  ASP  57           HD       ASP  57 -11.534   6.359  -5.225
  472    H    ARG  58           H        ARG  58  -8.496   1.461  -2.855
  473    HA   ARG  58           HA       ARG  58  -8.310  -0.623  -2.303
  474    HB2  ARG  58          1HB       ARG  58 -10.759  -0.969  -3.986
  475    HB3  ARG  58          2HB       ARG  58 -10.123  -2.154  -2.821
  476    HG2  ARG  58          1HG       ARG  58 -10.365  -0.372  -1.043
  477    HG3  ARG  58          2HG       ARG  58 -11.242   0.602  -2.247
  478    HD2  ARG  58          1HD       ARG  58 -12.799  -0.480  -0.838
  479    HD3  ARG  58          2HD       ARG  58 -12.871  -1.222  -2.454
  480    HE   ARG  58           HE       ARG  58 -11.251  -2.841  -0.590
  481   HH11  ARG  58          1HH       ARG  58 -15.071  -3.681  -1.066
  482   HH21  ARG  58          1HH2      ARG  58 -11.811  -4.668   0.024
  483   HH22  ARG  58          2HH2      ARG  58 -13.480  -5.180  -0.132
  484    H    CYS  59           H        CYS  59  -6.704   0.181  -4.580
  485    HA   CYS  59           HA       CYS  59  -6.955  -1.931  -6.527
  486    HB2  CYS  59          1HB       CYS  59  -5.096  -0.778  -7.661
  487    HB3  CYS  59          2HB       CYS  59  -6.500   0.237  -7.396
  488    H    ASN  60           H        ASN  60  -5.084  -0.995  -3.661
  489    HA   ASN  60           HA       ASN  60  -3.060  -2.953  -4.255
  490    HB2  ASN  60          1HB       ASN  60  -1.925  -2.059  -2.251
  491    HB3  ASN  60          2HB       ASN  60  -2.442  -0.724  -3.264
  492   HD21  ASN  60          1HD2      ASN  60  -1.949   0.041  -0.876
  493   HD22  ASN  60          2HD2      ASN  60  -3.348   0.282   0.114
  Start of MODEL    9
    1    H1   MET   0          1H        MET   0 -13.006  12.139   0.669
    2    H2   MET   0          2H        MET   0 -12.126  12.462  -0.502
    3    H    MET   0           H        MET   0 -12.912  11.134  -0.483
    4    H3   MET   0          3H        MET   0 -12.953  11.211  -0.507
    5    HA   MET   0           HA       MET   0 -10.314  11.439   0.364
    6    HB2  MET   0          1HB       MET   0 -12.289  10.719   2.538
    7    HB3  MET   0          2HB       MET   0 -10.534  10.443   2.658
    8    HG2  MET   0          1HG       MET   0 -10.094  12.810   2.565
    9    HG3  MET   0          2HG       MET   0 -11.806  13.161   2.228
   10    HE1  MET   0          1HE       MET   0 -10.044  11.836   6.295
   11    HE2  MET   0          2HE       MET   0  -9.950  10.804   4.846
   12    HE3  MET   0          3HE       MET   0  -9.097  12.366   4.883
   13    H    LEU   1           H        LEU   1  -9.337   9.614  -0.473
   14    HA   LEU   1           HA       LEU   1 -11.159   7.836  -1.717
   15    HB2  LEU   1          1HB       LEU   1  -8.226   8.011  -1.439
   16    HB3  LEU   1          2HB       LEU   1  -8.903   6.786  -2.539
   17    HG   LEU   1           HG       LEU   1  -9.028   9.812  -2.800
   18   HD11  LEU   1          1HD1      LEU   1  -7.888   9.355  -4.988
   19   HD12  LEU   1          2HD1      LEU   1  -6.940   8.725  -3.621
   20   HD13  LEU   1          3HD1      LEU   1  -7.910   7.615  -4.618
   21   HD21  LEU   1          1HD2      LEU   1 -10.377   9.448  -4.838
   22   HD22  LEU   1          2HD2      LEU   1 -10.450   7.710  -4.458
   23   HD23  LEU   1          3HD2      LEU   1 -11.201   8.893  -3.362
   24    H    LYS   2           H        LYS   2 -10.247   5.336  -1.755
   25    HA   LYS   2           HA       LYS   2  -9.984   4.555   1.061
   26    HB2  LYS   2          1HB       LYS   2 -11.447   2.602   0.481
   27    HB3  LYS   2          2HB       LYS   2 -12.271   4.178   0.529
   28    HG2  LYS   2          1HG       LYS   2 -12.130   4.287  -1.953
   29    HG3  LYS   2          2HG       LYS   2 -11.407   2.661  -1.955
   30    HD2  LYS   2          1HD       LYS   2 -13.423   1.738  -0.916
   31    HD3  LYS   2          2HD       LYS   2 -14.143   3.363  -0.841
   32    HE2  LYS   2          1HE       LYS   2 -14.006   3.497  -3.319
   33    HE3  LYS   2          2HE       LYS   2 -13.397   1.826  -3.347
   34    HZ1  LYS   2          1HZ       LYS   2 -15.761   1.918  -3.753
   35    HZ2  LYS   2          2HZ       LYS   2 -15.461   1.126  -2.338
   36    H    CYS   3           H        CYS   3  -8.316   3.174   1.429
   37    HA   CYS   3           HA       CYS   3  -7.407   1.619  -0.881
   38    HB2  CYS   3          1HB       CYS   3  -5.708   2.720   1.365
   39    HB3  CYS   3          2HB       CYS   3  -5.144   1.664   0.087
   40    H    ASN   4           H        ASN   4  -6.177  -0.456  -0.027
   41    HA   ASN   4           HA       ASN   4  -8.058  -1.594   1.852
   42    HB2  ASN   4          1HB       ASN   4  -6.272  -3.110  -0.185
   43    HB3  ASN   4          2HB       ASN   4  -7.245  -3.588   1.226
   44   HD21  ASN   4          1HD2      ASN   4  -9.035  -3.506  -2.201
   45   HD22  ASN   4          2HD2      ASN   4  -7.378  -3.865  -1.847
   46    H    LYS   5           H        LYS   5  -7.317  -2.682   3.779
   47    HA   LYS   5           HA       LYS   5  -4.572  -2.108   4.523
   48    HB2  LYS   5          1HB       LYS   5  -6.894  -3.346   6.032
   49    HB3  LYS   5          2HB       LYS   5  -5.301  -2.967   6.728
   50    HG2  LYS   5          1HG       LYS   5  -7.386  -1.018   5.701
   51    HG3  LYS   5          2HG       LYS   5  -6.833  -1.229   7.379
   52    HD2  LYS   5          1HD       LYS   5  -5.017  -0.376   5.105
   53    HD3  LYS   5          2HD       LYS   5  -5.871   0.774   6.161
   54    HE2  LYS   5          1HE       LYS   5  -4.754  -0.160   8.121
   55    HE3  LYS   5          2HE       LYS   5  -3.938  -1.367   7.101
   56    HZ1  LYS   5          1HZ       LYS   5  -2.504   0.495   7.596
   57    HZ2  LYS   5          2HZ       LYS   5  -2.817   0.436   5.977
   58    H    LEU   6           H        LEU   6  -3.715  -4.105   6.070
   59    HA   LEU   6           HA       LEU   6  -2.865  -6.062   4.363
   60    HB2  LEU   6          1HB       LEU   6  -1.918  -5.571   6.409
   61    HB3  LEU   6          2HB       LEU   6  -3.276  -6.133   7.412
   62    HG   LEU   6           HG       LEU   6  -2.901  -8.442   6.567
   63   HD11  LEU   6          1HD1      LEU   6  -0.750  -8.937   5.375
   64   HD12  LEU   6          2HD1      LEU   6  -1.777  -7.837   4.425
   65   HD13  LEU   6          3HD1      LEU   6  -0.389  -7.195   5.335
   66   HD21  LEU   6          1HD2      LEU   6  -0.849  -8.889   7.868
   67   HD22  LEU   6          2HD2      LEU   6  -0.496  -7.144   7.878
   68   HD23  LEU   6          3HD2      LEU   6  -1.952  -7.763   8.693
   69    H    VAL   7           H        VAL   7  -5.794  -6.015   6.472
   70    HA   VAL   7           HA       VAL   7  -6.685  -8.552   5.527
   71    HB   VAL   7           HB       VAL   7  -8.165  -6.244   6.874
   72   HG11  VAL   7          1HG1      VAL   7  -9.916  -7.922   7.359
   73   HG12  VAL   7          2HG1      VAL   7  -9.702  -7.707   5.605
   74   HG13  VAL   7          3HG1      VAL   7  -9.014  -9.133   6.417
   75   HG21  VAL   7          1HG2      VAL   7  -8.012  -7.609   8.895
   76   HG22  VAL   7          2HG2      VAL   7  -7.042  -8.809   8.010
   77   HG23  VAL   7          3HG2      VAL   7  -6.409  -7.164   8.266
   78    HA   PRO   8           HA       PRO   8  -7.685  -6.936   1.694
   79    HB2  PRO   8          1HB       PRO   8  -8.369  -9.231   0.378
   80    HB3  PRO   8          2HB       PRO   8  -6.685  -8.894   0.800
   81    HG2  PRO   8          1HG       PRO   8  -8.732 -10.554   2.308
   82    HG3  PRO   8          2HG       PRO   8  -7.043 -10.933   1.949
   83    HD2  PRO   8          1HD       PRO   8  -7.776  -9.963   4.396
   84    HD3  PRO   8          2HD       PRO   8  -6.219  -9.525   3.680
   85    H    ILE   9           H        ILE   9  -9.939  -7.955   3.850
   86    HA   ILE   9           HA       ILE   9 -12.085  -7.238   1.976
   87    HB   ILE   9           HB       ILE   9 -13.596  -8.462   3.570
   88   HG12  ILE   9          1HG1      ILE   9 -11.070  -9.423   4.880
   89   HG13  ILE   9          2HG1      ILE   9 -12.082  -8.103   5.511
   90   HG21  ILE   9          1HG2      ILE   9 -12.860 -10.746   2.976
   91   HG22  ILE   9          2HG2      ILE   9 -12.683  -9.639   1.596
   92   HG23  ILE   9          3HG2      ILE   9 -11.254 -10.117   2.542
   93   HD11  ILE   9          1HD1      ILE   9 -12.593 -10.232   6.642
   94   HD12  ILE   9          2HD1      ILE   9 -13.989  -9.653   5.702
   95   HD13  ILE   9          3HD1      ILE   9 -12.976 -10.974   5.072
   96    H    ALA  10           H        ALA  10 -10.166  -5.543   3.672
   97    HA   ALA  10           HA       ALA  10 -12.301  -3.950   4.854
   98    HB1  ALA  10          1HB       ALA  10 -11.638  -4.318   6.967
   99    HB2  ALA  10          2HB       ALA  10 -10.459  -5.513   6.376
  100    HB3  ALA  10          3HB       ALA  10  -9.983  -3.808   6.556
  101    H    TYR  11           H        TYR  11 -12.119  -1.856   4.190
  102    HA   TYR  11           HA       TYR  11  -9.430  -0.967   3.388
  103    HB2  TYR  11          1HB       TYR  11 -10.525   0.599   1.905
  104    HB3  TYR  11          2HB       TYR  11 -10.955  -1.086   1.519
  105    HD1  TYR  11          1HD       TYR  11 -12.204   2.145   2.741
  106    HD2  TYR  11          2HD       TYR  11 -13.227  -1.913   1.925
  107    HE1  TYR  11          1HE       TYR  11 -14.607   2.730   2.889
  108    HE2  TYR  11          2HE       TYR  11 -15.630  -1.347   2.069
  109    HH   TYR  11           HH       TYR  11 -17.170   0.293   2.420
  110    H    LYS  12           H        LYS  12  -8.837   1.237   3.925
  111    HA   LYS  12           HA       LYS  12 -10.579   2.437   5.965
  112    HB2  LYS  12          1HB       LYS  12  -7.561   2.271   5.799
  113    HB3  LYS  12          2HB       LYS  12  -8.418   3.413   6.861
  114    HG2  LYS  12          1HG       LYS  12  -9.549   1.415   7.922
  115    HG3  LYS  12          2HG       LYS  12  -8.436   0.383   6.994
  116    HD2  LYS  12          1HD       LYS  12  -6.514   1.404   8.076
  117    HD3  LYS  12          2HD       LYS  12  -7.568   2.562   8.922
  118    HE2  LYS  12          1HE       LYS  12  -8.680   0.664  10.068
  119    HE3  LYS  12          2HE       LYS  12  -7.545  -0.451   9.275
  120    HZ1  LYS  12          1HZ       LYS  12  -6.836   0.104  11.500
  121    HZ2  LYS  12          2HZ       LYS  12  -5.749   0.679  10.401
  122    H    THR  13           H        THR  13 -10.552   4.802   6.031
  123    HA   THR  13           HA       THR  13 -10.487   5.854   3.365
  124    HB   THR  13           HB       THR  13 -10.944   7.242   6.053
  125    HG1  THR  13          1HG       THR  13 -13.178   6.966   5.463
  126   HG21  THR  13          1HG2      THR  13 -12.087   8.956   4.690
  127   HG22  THR  13          2HG2      THR  13 -10.381   8.789   4.210
  128   HG23  THR  13          3HG2      THR  13 -11.662   8.064   3.210
  129    H    CYS  14           H        CYS  14  -9.069   7.244   2.407
  130    HA   CYS  14           HA       CYS  14  -6.451   7.161   3.457
  131    HB2  CYS  14          1HB       CYS  14  -7.658   8.599   1.092
  132    HB3  CYS  14          2HB       CYS  14  -5.951   8.670   1.488
  133    HA   PRO  15           HA       PRO  15  -6.526  11.017   5.600
  134    HB2  PRO  15          1HB       PRO  15  -3.894  11.624   5.784
  135    HB3  PRO  15          2HB       PRO  15  -4.554  10.288   6.738
  136    HG2  PRO  15          1HG       PRO  15  -3.141  10.194   4.050
  137    HG3  PRO  15          2HG       PRO  15  -2.881   9.180   5.475
  138    HD2  PRO  15          1HD       PRO  15  -4.435   8.344   3.360
  139    HD3  PRO  15          2HD       PRO  15  -4.764   7.824   5.017
  140    H    GLU  16           H        GLU  16  -6.236  13.324   5.373
  141    HA   GLU  16           HA       GLU  16  -6.871  14.055   2.804
  142    HB2  GLU  16          1HB       GLU  16  -7.413  15.355   4.800
  143    HB3  GLU  16          2HB       GLU  16  -5.686  15.684   5.073
  144    HG2  GLU  16          1HG       GLU  16  -5.651  17.033   2.912
  145    HG3  GLU  16          2HG       GLU  16  -7.364  16.577   2.766
  146    HE2  GLU  16           HE       GLU  16  -7.185  19.800   4.438
  147    H    GLY  17           H        GLY  17  -5.695  14.629   0.991
  148    HA2  GLY  17          1HA       GLY  17  -3.892  15.685  -0.052
  149    HA3  GLY  17          2HA       GLY  17  -2.882  15.376   1.345
  150    H    LYS  18           H        LYS  18  -4.122  12.490   1.407
  151    HA   LYS  18           HA       LYS  18  -2.236  11.383  -0.503
  152    HB2  LYS  18          1HB       LYS  18  -3.952  10.227   1.708
  153    HB3  LYS  18          2HB       LYS  18  -2.978   9.226   0.606
  154    HG2  LYS  18          1HG       LYS  18  -1.872   9.625   2.801
  155    HG3  LYS  18          2HG       LYS  18  -0.930  10.228   1.417
  156    HD2  LYS  18          1HD       LYS  18  -1.728  12.501   1.830
  157    HD3  LYS  18          2HD       LYS  18  -2.743  11.919   3.172
  158    HE2  LYS  18          1HE       LYS  18  -0.735  11.179   4.376
  159    HE3  LYS  18          2HE       LYS  18   0.283  11.749   3.034
  160    HZ1  LYS  18          1HZ       LYS  18   0.191  13.348   4.824
  161    HZ2  LYS  18          2HZ       LYS  18  -0.508  13.977   3.467
  162    H    ASN  19           H        ASN  19  -2.925   9.579  -1.958
  163    HA   ASN  19           HA       ASN  19  -5.653   9.843  -2.807
  164    HB2  ASN  19          1HB       ASN  19  -4.476  11.921  -3.933
  165    HB3  ASN  19          2HB       ASN  19  -3.416  10.576  -4.419
  166   HD21  ASN  19          1HD2      ASN  19  -6.764  11.490  -6.487
  167   HD22  ASN  19          2HD2      ASN  19  -6.269  12.350  -5.068
  168    H    LEU  20           H        LEU  20  -2.334   8.570  -3.023
  169    HA   LEU  20           HA       LEU  20  -3.131   6.525  -4.928
  170    HB2  LEU  20          1HB       LEU  20  -0.595   7.021  -3.496
  171    HB3  LEU  20          2HB       LEU  20  -0.679   5.988  -4.942
  172    HG   LEU  20           HG       LEU  20  -0.950   9.009  -4.774
  173   HD11  LEU  20          1HD1      LEU  20   0.963   8.950  -6.397
  174   HD12  LEU  20          2HD1      LEU  20   1.372   8.108  -4.883
  175   HD13  LEU  20          3HD1      LEU  20   0.940   7.172  -6.334
  176   HD21  LEU  20          1HD2      LEU  20  -1.398   8.980  -7.204
  177   HD22  LEU  20          2HD2      LEU  20  -1.471   7.202  -7.152
  178   HD23  LEU  20          3HD2      LEU  20  -2.671   8.168  -6.261
  179    H    CYS  21           H        CYS  21  -2.867   4.236  -4.469
  180    HA   CYS  21           HA       CYS  21  -2.899   3.676  -1.596
  181    HB2  CYS  21          1HB       CYS  21  -3.961   2.030  -3.899
  182    HB3  CYS  21          2HB       CYS  21  -3.950   1.522  -2.221
  183    H    TYR  22           H        TYR  22  -1.246   2.384  -0.753
  184    HA   TYR  22           HA       TYR  22   0.699   1.381  -2.722
  185    HB2  TYR  22          1HB       TYR  22   2.457   2.106  -1.401
  186    HB3  TYR  22          2HB       TYR  22   1.308   3.467  -1.418
  187    HD1  TYR  22          1HD       TYR  22   2.752   0.761   0.646
  188    HD2  TYR  22          2HD       TYR  22   0.179   4.161   0.604
  189    HE1  TYR  22          1HE       TYR  22   2.725   0.762   3.123
  190    HE2  TYR  22          2HE       TYR  22   0.141   4.176   3.075
  191    HH   TYR  22           HH       TYR  22   0.879   3.179   4.985
  192    H    LYS  23           H        LYS  23   1.796  -0.589  -2.200
  193    HA   LYS  23           HA       LYS  23   0.992  -1.822   0.331
  194    HB2  LYS  23          1HB       LYS  23   0.920  -4.002  -0.799
  195    HB3  LYS  23          2HB       LYS  23  -0.328  -2.885  -1.400
  196    HG2  LYS  23          1HG       LYS  23   0.961  -2.453  -3.412
  197    HG3  LYS  23          2HG       LYS  23   2.310  -3.439  -2.798
  198    HD2  LYS  23          1HD       LYS  23   0.849  -4.601  -4.486
  199    HD3  LYS  23          2HD       LYS  23   1.007  -5.447  -2.929
  200    HE2  LYS  23          1HE       LYS  23  -1.147  -4.570  -2.200
  201    HE3  LYS  23          2HE       LYS  23  -1.302  -3.643  -3.710
  202    HZ1  LYS  23          1HZ       LYS  23  -2.555  -5.689  -3.790
  203    HZ2  LYS  23          2HZ       LYS  23  -1.341  -5.725  -4.908
  204    H    MET  24           H        MET  24   2.614  -3.185   1.280
  205    HA   MET  24           HA       MET  24   5.237  -2.544   0.175
  206    HB2  MET  24          1HB       MET  24   4.300  -3.020   3.013
  207    HB3  MET  24          2HB       MET  24   6.009  -2.845   2.547
  208    HG2  MET  24          1HG       MET  24   5.596  -0.574   1.772
  209    HG3  MET  24          2HG       MET  24   3.862  -0.743   2.133
  210    HE1  MET  24          1HE       MET  24   7.144  -0.772   5.411
  211    HE2  MET  24          2HE       MET  24   6.829  -2.140   4.316
  212    HE3  MET  24          3HE       MET  24   7.496  -0.620   3.672
  213    H    PHE  25           H        PHE  25   6.757  -4.192  -0.135
  214    HA   PHE  25           HA       PHE  25   5.873  -6.874   0.674
  215    HB2  PHE  25          1HB       PHE  25   7.592  -5.994  -1.683
  216    HB3  PHE  25          2HB       PHE  25   7.295  -7.686  -1.221
  217    HD1  PHE  25          1HD       PHE  25   5.753  -4.599  -2.515
  218    HD2  PHE  25          2HD       PHE  25   5.280  -8.777  -1.755
  219    HE1  PHE  25          1HE       PHE  25   3.710  -4.619  -3.906
  220    HE2  PHE  25          2HE       PHE  25   3.238  -8.802  -3.148
  221    HZ   PHE  25           HZ       PHE  25   2.452  -6.721  -4.222
  222    H    MET  26           H        MET  26   7.695  -8.421   1.216
  223    HA   MET  26           HA       MET  26  10.151  -6.977   1.860
  224    HB2  MET  26          1HB       MET  26   8.989  -9.514   3.028
  225    HB3  MET  26          2HB       MET  26  10.613  -8.889   3.401
  226    HG2  MET  26          1HG       MET  26   9.617  -6.854   4.343
  227    HG3  MET  26          2HG       MET  26   7.991  -7.469   3.962
  228    HE1  MET  26          1HE       MET  26   8.121  -7.711   7.895
  229    HE2  MET  26          2HE       MET  26   8.855  -6.449   6.874
  230    HE3  MET  26          3HE       MET  26   7.233  -7.075   6.488
  231    H    MET  27           H        MET  27  12.167  -7.897   1.170
  232    HA   MET  27           HA       MET  27  12.084  -8.758  -1.377
  233    HB2  MET  27          1HB       MET  27  14.151  -9.033   0.795
  234    HB3  MET  27          2HB       MET  27  14.475  -9.596  -0.862
  235    HG2  MET  27          1HG       MET  27  13.765  -6.763  -0.038
  236    HG3  MET  27          2HG       MET  27  15.390  -7.347  -0.472
  237    HE1  MET  27          1HE       MET  27  15.089  -8.082  -4.278
  238    HE2  MET  27          2HE       MET  27  16.182  -7.908  -2.883
  239    HE3  MET  27          3HE       MET  27  14.978  -9.220  -2.914
  240    H    SER  28           H        SER  28  12.011 -10.728   1.603
  241    HA   SER  28           HA       SER  28  12.358 -13.190   0.358
  242    HB2  SER  28          1HB       SER  28  12.525 -12.873   2.763
  243    HB3  SER  28          2HB       SER  28  10.812 -12.403   2.849
  244    HG   SER  28           HG       SER  28  11.164 -14.589   3.435
  245    H    ASP  29           H        ASP  29   9.279 -11.660   1.582
  246    HA   ASP  29           HA       ASP  29   7.840 -13.517  -0.078
  247    HB2  ASP  29          1HB       ASP  29   7.190 -13.114   2.372
  248    HB3  ASP  29          2HB       ASP  29   6.888 -11.454   1.800
  249    HD2  ASP  29           HD       ASP  29   3.730 -13.290   1.696
  250    H    LEU  30           H        LEU  30   8.452 -12.446  -2.166
  251    HA   LEU  30           HA       LEU  30   7.511  -9.776  -2.624
  252    HB2  LEU  30          1HB       LEU  30   8.786 -11.974  -4.018
  253    HB3  LEU  30          2HB       LEU  30   7.977 -10.851  -5.135
  254    HG   LEU  30           HG       LEU  30   9.579  -9.271  -4.902
  255   HD11  LEU  30          1HD1      LEU  30  10.658  -8.699  -2.711
  256   HD12  LEU  30          2HD1      LEU  30   8.887  -8.771  -2.560
  257   HD13  LEU  30          3HD1      LEU  30   9.887 -10.124  -1.977
  258   HD21  LEU  30          1HD2      LEU  30  11.825 -10.150  -4.373
  259   HD22  LEU  30          2HD2      LEU  30  11.071 -11.605  -3.675
  260   HD23  LEU  30          3HD2      LEU  30  10.884 -11.249  -5.409
  261    H    THR  31           H        THR  31   6.106 -12.920  -2.439
  262    HA   THR  31           HA       THR  31   4.291 -12.635  -4.626
  263    HB   THR  31           HB       THR  31   4.274 -14.512  -2.211
  264    HG1  THR  31          1HG       THR  31   5.181 -15.984  -3.768
  265   HG21  THR  31          1HG2      THR  31   2.791 -15.916  -3.600
  266   HG22  THR  31          2HG2      THR  31   2.062 -14.321  -3.296
  267   HG23  THR  31          3HG2      THR  31   2.807 -14.674  -4.874
  268    H    ILE  32           H        ILE  32   4.099 -12.175  -1.057
  269    HA   ILE  32           HA       ILE  32   1.463 -10.968  -1.525
  270    HB   ILE  32           HB       ILE  32   2.350 -12.823   0.734
  271   HG12  ILE  32          1HG1      ILE  32   1.647 -13.933  -1.284
  272   HG13  ILE  32          2HG1      ILE  32   0.522 -14.206   0.068
  273   HG21  ILE  32          1HG2      ILE  32   0.126 -12.404   1.729
  274   HG22  ILE  32          2HG2      ILE  32   1.083 -10.907   1.647
  275   HG23  ILE  32          3HG2      ILE  32  -0.213 -11.200   0.464
  276   HD11  ILE  32          1HD1      ILE  32  -0.695 -13.850  -2.044
  277   HD12  ILE  32          2HD1      ILE  32  -1.025 -12.541  -0.885
  278   HD13  ILE  32          3HD1      ILE  32   0.099 -12.271  -2.236
  279    HA   PRO  33           HA       PRO  33   3.458  -7.658   0.487
  280    HB2  PRO  33          1HB       PRO  33   1.461  -5.817   0.409
  281    HB3  PRO  33          2HB       PRO  33   2.365  -6.213  -1.059
  282    HG2  PRO  33          1HG       PRO  33  -0.300  -7.313  -0.104
  283    HG3  PRO  33          2HG       PRO  33   0.161  -6.768  -1.722
  284    HD2  PRO  33          1HD       PRO  33   0.149  -9.433  -1.050
  285    HD3  PRO  33          2HD       PRO  33   1.302  -8.782  -2.222
  286    H    VAL  34           H        VAL  34   3.233  -6.227   2.453
  287    HA   VAL  34           HA       VAL  34   2.146  -8.137   4.404
  288    HB   VAL  34           HB       VAL  34   4.069  -7.531   5.844
  289   HG11  VAL  34          1HG1      VAL  34   5.863  -8.600   4.519
  290   HG12  VAL  34          2HG1      VAL  34   4.313  -9.443   4.297
  291   HG13  VAL  34          3HG1      VAL  34   4.918  -8.345   3.033
  292   HG21  VAL  34          1HG2      VAL  34   5.909  -6.175   4.978
  293   HG22  VAL  34          2HG2      VAL  34   4.965  -5.835   3.509
  294   HG23  VAL  34          3HG2      VAL  34   4.394  -5.252   5.091
  295    H    LYS  35           H        LYS  35   2.356  -4.832   3.265
  296    HA   LYS  35           HA       LYS  35   0.384  -4.134   5.264
  297    HB2  LYS  35          1HB       LYS  35   3.040  -2.743   4.888
  298    HB3  LYS  35          2HB       LYS  35   1.617  -1.902   5.548
  299    HG2  LYS  35          1HG       LYS  35   1.549  -3.827   7.279
  300    HG3  LYS  35          2HG       LYS  35   3.216  -4.164   6.752
  301    HD2  LYS  35          1HD       LYS  35   3.485  -2.736   8.599
  302    HD3  LYS  35          2HD       LYS  35   3.661  -1.666   7.187
  303    HE2  LYS  35          1HE       LYS  35   1.407  -0.866   7.424
  304    HE3  LYS  35          2HE       LYS  35   1.059  -2.069   8.687
  305    HZ1  LYS  35          1HZ       LYS  35   1.495   0.100   9.620
  306    HZ2  LYS  35          2HZ       LYS  35   2.665  -0.964  10.091
  307    H    ARG  36           H        ARG  36  -1.050  -2.499   4.546
  308    HA   ARG  36           HA       ARG  36  -0.404  -1.318   1.995
  309    HB2  ARG  36          1HB       ARG  36  -2.913  -2.882   2.460
  310    HB3  ARG  36          2HB       ARG  36  -2.620  -1.794   1.083
  311    HG2  ARG  36          1HG       ARG  36  -1.964  -3.701   0.058
  312    HG3  ARG  36          2HG       ARG  36  -0.433  -3.372   0.906
  313    HD2  ARG  36          1HD       ARG  36  -1.016  -5.665   1.130
  314    HD3  ARG  36          2HD       ARG  36  -1.152  -4.852   2.707
  315    HE   ARG  36           HE       ARG  36  -3.597  -5.306   2.604
  316   HH11  ARG  36          1HH       ARG  36  -3.384  -7.145  -0.875
  317   HH21  ARG  36          1HH2      ARG  36  -5.230  -6.352   2.084
  318   HH22  ARG  36          2HH2      ARG  36  -5.273  -7.226   0.564
  319    H    GLY  37           H        GLY  37  -1.530   0.717   1.631
  320    HA2  GLY  37          1HA       GLY  37  -3.520   1.699   3.402
  321    HA3  GLY  37          2HA       GLY  37  -1.933   2.251   3.900
  322    H    CYS  38           H        CYS  38  -2.865   4.439   3.353
  323    HA   CYS  38           HA       CYS  38  -2.933   4.893   0.470
  324    HB2  CYS  38          1HB       CYS  38  -3.797   6.420   3.036
  325    HB3  CYS  38          2HB       CYS  38  -4.082   7.056   1.398
  326    H    ILE  39           H        ILE  39  -1.624   6.686  -0.408
  327    HA   ILE  39           HA       ILE  39  -0.163   8.307   1.432
  328    HB   ILE  39           HB       ILE  39   1.345   6.263   1.140
  329   HG12  ILE  39          1HG1      ILE  39   2.608   8.674  -0.092
  330   HG13  ILE  39          2HG1      ILE  39   2.014   8.698   1.585
  331   HG21  ILE  39          1HG2      ILE  39   2.514   6.043  -1.027
  332   HG22  ILE  39          2HG2      ILE  39   0.765   5.780  -1.214
  333   HG23  ILE  39          3HG2      ILE  39   1.489   7.327  -1.711
  334   HD11  ILE  39          1HD1      ILE  39   4.419   8.173   1.501
  335   HD12  ILE  39          2HD1      ILE  39   3.483   6.798   2.135
  336   HD13  ILE  39          3HD1      ILE  39   4.078   6.774   0.458
  337    H    ASP  40           H        ASP  40   1.011  10.085   0.230
  338    HA   ASP  40           HA       ASP  40  -0.660  10.799  -1.990
  339    HB2  ASP  40          1HB       ASP  40   0.453  13.089  -1.692
  340    HB3  ASP  40          2HB       ASP  40  -0.430  12.316  -0.350
  341    HD2  ASP  40           HD       ASP  40   2.901  13.566   0.745
  342    H    VAL  41           H        VAL  41   2.855  10.424  -1.140
  343    HA   VAL  41           HA       VAL  41   3.440  10.339  -4.020
  344    HB   VAL  41           HB       VAL  41   5.241  11.152  -1.691
  345   HG11  VAL  41          1HG1      VAL  41   6.878  11.722  -3.452
  346   HG12  VAL  41          2HG1      VAL  41   6.476   9.989  -3.489
  347   HG13  VAL  41          3HG1      VAL  41   5.767  11.094  -4.691
  348   HG21  VAL  41          1HG2      VAL  41   5.209  13.376  -2.702
  349   HG22  VAL  41          2HG2      VAL  41   4.036  12.806  -3.914
  350   HG23  VAL  41          3HG2      VAL  41   3.588  12.850  -2.191
  351    H    CYS  42           H        CYS  42   4.268   8.463  -4.825
  352    HA   CYS  42           HA       CYS  42   4.221   6.219  -3.124
  353    HB2  CYS  42          1HB       CYS  42   3.568   6.154  -5.488
  354    HB3  CYS  42          2HB       CYS  42   5.220   6.488  -5.967
  355    HA   PRO  43           HA       PRO  43   8.375   6.692  -1.801
  356    HB2  PRO  43          1HB       PRO  43   8.556   4.530  -0.138
  357    HB3  PRO  43          2HB       PRO  43   7.682   5.985   0.359
  358    HG2  PRO  43          1HG       PRO  43   6.597   3.434  -0.871
  359    HG3  PRO  43          2HG       PRO  43   5.955   4.378   0.480
  360    HD2  PRO  43          1HD       PRO  43   4.914   4.611  -2.047
  361    HD3  PRO  43          2HD       PRO  43   4.963   5.992  -0.946
  362    H    LYS  44           H        LYS  44  10.421   6.131  -2.426
  363    HA   LYS  44           HA       LYS  44  10.463   4.364  -4.641
  364    HB2  LYS  44          1HB       LYS  44  12.644   5.661  -2.980
  365    HB3  LYS  44          2HB       LYS  44  12.941   4.730  -4.468
  366    HG2  LYS  44          1HG       LYS  44  11.607   6.353  -5.752
  367    HG3  LYS  44          2HG       LYS  44  11.312   7.285  -4.265
  368    HD2  LYS  44          1HD       LYS  44  13.717   7.697  -4.026
  369    HD3  LYS  44          2HD       LYS  44  14.037   6.731  -5.486
  370    HE2  LYS  44          1HE       LYS  44  12.717   8.313  -6.826
  371    HE3  LYS  44          2HE       LYS  44  12.395   9.279  -5.369
  372    HZ1  LYS  44          1HZ       LYS  44  14.205  10.190  -6.658
  373    HZ2  LYS  44          2HZ       LYS  44  14.758   9.678  -5.190
  374    H    ASN  45           H        ASN  45  11.914   2.431  -4.818
  375    HA   ASN  45           HA       ASN  45  11.061   0.686  -2.787
  376    HB2  ASN  45          1HB       ASN  45  12.835  -0.019  -5.236
  377    HB3  ASN  45          2HB       ASN  45  12.171  -0.910  -3.845
  378   HD21  ASN  45          1HD2      ASN  45   9.987  -0.872  -6.997
  379   HD22  ASN  45          2HD2      ASN  45  11.709  -0.950  -6.833
  380    H    SER  46           H        SER  46  12.384  -0.443  -1.217
  381    HA   SER  46           HA       SER  46  15.059   0.675  -0.943
  382    HB2  SER  46          1HB       SER  46  14.884   0.101   1.425
  383    HB3  SER  46          2HB       SER  46  13.500   1.098   0.922
  384    HG   SER  46           HG       SER  46  12.277  -0.823   0.791
  385    H    LEU  47           H        LEU  47  16.463  -1.091   0.492
  386    HA   LEU  47           HA       LEU  47  16.759  -3.244  -1.363
  387    HB2  LEU  47          1HB       LEU  47  18.001  -2.483   1.207
  388    HB3  LEU  47          2HB       LEU  47  18.691  -3.835   0.280
  389    HG   LEU  47           HG       LEU  47  18.555  -0.921  -0.589
  390   HD11  LEU  47          1HD1      LEU  47  21.057  -1.041  -0.448
  391   HD12  LEU  47          2HD1      LEU  47  20.304  -1.380   1.128
  392   HD13  LEU  47          3HD1      LEU  47  20.929  -2.718   0.133
  393   HD21  LEU  47          1HD2      LEU  47  19.864  -1.650  -2.554
  394   HD22  LEU  47          2HD2      LEU  47  19.706  -3.339  -2.012
  395   HD23  LEU  47          3HD2      LEU  47  18.258  -2.414  -2.478
  396    H    LEU  48           H        LEU  48  15.090  -2.699   1.664
  397    HA   LEU  48           HA       LEU  48  15.168  -5.543   2.302
  398    HB2  LEU  48          1HB       LEU  48  14.197  -3.109   3.668
  399    HB3  LEU  48          2HB       LEU  48  14.073  -4.683   4.487
  400    HG   LEU  48           HG       LEU  48  16.626  -3.223   3.708
  401   HD11  LEU  48          1HD1      LEU  48  17.009  -3.153   6.187
  402   HD12  LEU  48          2HD1      LEU  48  15.501  -2.321   5.742
  403   HD13  LEU  48          3HD1      LEU  48  15.443  -3.960   6.436
  404   HD21  LEU  48          1HD2      LEU  48  17.816  -5.080   4.821
  405   HD22  LEU  48          2HD2      LEU  48  16.262  -5.922   5.037
  406   HD23  LEU  48          3HD2      LEU  48  16.887  -5.613   3.399
  407    H    VAL  49           H        VAL  49  12.864  -2.816   1.719
  408    HA   VAL  49           HA       VAL  49  10.809  -4.860   1.246
  409    HB   VAL  49           HB       VAL  49   9.155  -3.163   2.109
  410   HG11  VAL  49          1HG1      VAL  49   9.664  -3.502   4.504
  411   HG12  VAL  49          2HG1      VAL  49   9.959  -4.988   3.570
  412   HG13  VAL  49          3HG1      VAL  49  11.328  -3.973   4.082
  413   HG21  VAL  49          1HG2      VAL  49   9.959  -1.289   3.454
  414   HG22  VAL  49          2HG2      VAL  49  11.634  -1.681   2.995
  415   HG23  VAL  49          3HG2      VAL  49  10.469  -1.159   1.755
  416    H    LYS  50           H        LYS  50   9.351  -4.441  -0.479
  417    HA   LYS  50           HA       LYS  50  10.293  -2.319  -2.267
  418    HB2  LYS  50          1HB       LYS  50  10.406  -4.586  -3.164
  419    HB3  LYS  50          2HB       LYS  50   8.693  -4.849  -2.757
  420    HG2  LYS  50          1HG       LYS  50   8.054  -3.090  -4.374
  421    HG3  LYS  50          2HG       LYS  50   9.768  -2.873  -4.799
  422    HD2  LYS  50          1HD       LYS  50   9.886  -5.197  -5.575
  423    HD3  LYS  50          2HD       LYS  50   8.185  -5.447  -5.116
  424    HE2  LYS  50          1HE       LYS  50   7.527  -3.665  -6.712
  425    HE3  LYS  50          2HE       LYS  50   9.228  -3.515  -7.210
  426    HZ1  LYS  50          1HZ       LYS  50   7.983  -4.920  -8.709
  427    HZ2  LYS  50          2HZ       LYS  50   9.148  -5.803  -7.943
  428    H    TYR  51           H        TYR  51   8.786  -0.883  -3.247
  429    HA   TYR  51           HA       TYR  51   6.226  -0.789  -1.794
  430    HB2  TYR  51          1HB       TYR  51   7.990   1.431  -2.824
  431    HB3  TYR  51          2HB       TYR  51   6.350   1.651  -2.165
  432    HD1  TYR  51          1HD       TYR  51   9.865   1.049  -1.363
  433    HD2  TYR  51          2HD       TYR  51   5.920   1.239   0.240
  434    HE1  TYR  51          1HE       TYR  51  10.809   1.185   0.923
  435    HE2  TYR  51          2HE       TYR  51   6.843   1.374   2.528
  436    HH   TYR  51           HH       TYR  51   8.726   1.424   3.809
  437    H    VAL  52           H        VAL  52   4.409  -0.954  -3.018
  438    HA   VAL  52           HA       VAL  52   4.643  -0.097  -5.819
  439    HB   VAL  52           HB       VAL  52   2.909  -2.341  -4.681
  440   HG11  VAL  52          1HG1      VAL  52   2.304  -2.749  -7.044
  441   HG12  VAL  52          2HG1      VAL  52   1.819  -1.116  -6.532
  442   HG13  VAL  52          3HG1      VAL  52   3.273  -1.339  -7.536
  443   HG21  VAL  52          1HG2      VAL  52   4.280  -3.835  -6.044
  444   HG22  VAL  52          2HG2      VAL  52   5.320  -2.464  -6.500
  445   HG23  VAL  52          3HG2      VAL  52   5.238  -2.995  -4.803
  446    H    CYS  53           H        CYS  53   3.196   1.448  -6.463
  447    HA   CYS  53           HA       CYS  53   0.994   1.976  -4.602
  448    HB2  CYS  53          1HB       CYS  53   2.388   4.059  -6.282
  449    HB3  CYS  53          2HB       CYS  53   1.171   4.320  -5.048
  450    H    CYS  54           H        CYS  54  -0.974   2.898  -5.713
  451    HA   CYS  54           HA       CYS  54  -0.959   2.876  -8.577
  452    HB2  CYS  54          1HB       CYS  54  -2.980   1.343  -8.659
  453    HB3  CYS  54          2HB       CYS  54  -1.404   0.603  -8.471
  454    H    ASN  55           H        ASN  55  -3.053   3.903  -9.390
  455    HA   ASN  55           HA       ASN  55  -3.446   5.947  -7.366
  456    HB2  ASN  55          1HB       ASN  55  -3.461   7.610  -9.287
  457    HB3  ASN  55          2HB       ASN  55  -2.203   6.357  -9.148
  458   HD21  ASN  55          1HD2      ASN  55  -3.377   6.772 -12.685
  459   HD22  ASN  55          2HD2      ASN  55  -2.852   7.882 -11.461
  460    H    THR  56           H        THR  56  -5.145   3.513  -7.571
  461    HA   THR  56           HA       THR  56  -7.683   4.925  -7.950
  462    HB   THR  56           HB       THR  56  -8.664   2.795  -8.854
  463    HG1  THR  56          1HG       THR  56  -7.137   1.212  -9.616
  464   HG21  THR  56          1HG2      THR  56  -7.721   2.976 -11.130
  465   HG22  THR  56          2HG2      THR  56  -7.975   4.585 -10.413
  466   HG23  THR  56          3HG2      THR  56  -6.338   3.891 -10.486
  467    H    ASP  57           H        ASP  57  -9.528   3.445  -6.964
  468    HA   ASP  57           HA       ASP  57  -8.696   3.390  -4.253
  469    HB2  ASP  57          1HB       ASP  57 -11.443   2.986  -5.556
  470    HB3  ASP  57          2HB       ASP  57 -11.001   2.822  -3.839
  471    HD2  ASP  57           HD       ASP  57 -11.512   6.433  -5.230
  472    H    ARG  58           H        ARG  58  -8.498   1.511  -2.916
  473    HA   ARG  58           HA       ARG  58  -8.333  -0.573  -2.360
  474    HB2  ARG  58          1HB       ARG  58 -10.788  -0.908  -4.036
  475    HB3  ARG  58          2HB       ARG  58 -10.163  -2.085  -2.857
  476    HG2  ARG  58          1HG       ARG  58 -10.384  -0.265  -1.106
  477    HG3  ARG  58          2HG       ARG  58 -11.275   0.680  -2.322
  478    HD2  ARG  58          1HD       ARG  58 -12.826  -0.371  -0.897
  479    HD3  ARG  58          2HD       ARG  58 -12.887  -1.175  -2.483
  480    HE   ARG  58           HE       ARG  58 -11.252  -2.706  -0.557
  481   HH11  ARG  58          1HH       ARG  58 -15.067  -3.596  -0.992
  482   HH21  ARG  58          1HH2      ARG  58 -11.796  -4.513   0.129
  483   HH22  ARG  58          2HH2      ARG  58 -13.461  -5.044  -0.004
  484    H    CYS  59           H        CYS  59  -6.716   0.202  -4.629
  485    HA   CYS  59           HA       CYS  59  -6.995  -1.898  -6.582
  486    HB2  CYS  59          1HB       CYS  59  -5.109  -0.776  -7.705
  487    HB3  CYS  59          2HB       CYS  59  -6.498   0.263  -7.444
  488    H    ASN  60           H        ASN  60  -5.100  -0.990  -3.718
  489    HA   ASN  60           HA       ASN  60  -3.159  -3.044  -4.275
  490    HB2  ASN  60          1HB       ASN  60  -2.011  -2.179  -2.255
  491    HB3  ASN  60          2HB       ASN  60  -2.427  -0.847  -3.315
  492   HD21  ASN  60          1HD2      ASN  60  -1.932  -0.071  -0.918
  493   HD22  ASN  60          2HD2      ASN  60  -3.338   0.287   0.028
  Start of MODEL   10
    1    H1   MET   0          1H        MET   0 -10.566  12.608  -0.803
    2    H2   MET   0          2H        MET   0  -9.257  12.361  -1.493
    3    H    MET   0           H        MET   0 -10.461  11.440  -1.788
    4    H3   MET   0          3H        MET   0 -10.453  11.521  -1.830
    5    HA   MET   0           HA       MET   0  -8.507  10.931   0.077
    6    HB2  MET   0          1HB       MET   0 -11.272  11.390   1.220
    7    HB3  MET   0          2HB       MET   0  -9.964  10.542   2.081
    8    HG2  MET   0          1HG       MET   0  -8.609  12.551   2.090
    9    HG3  MET   0          2HG       MET   0  -9.815  13.408   1.103
   10    HE1  MET   0          1HE       MET   0 -10.344  12.197   5.542
   11    HE2  MET   0          2HE       MET   0 -10.193  10.994   4.237
   12    HE3  MET   0          3HE       MET   0  -8.824  12.064   4.625
   13    H    LEU   1           H        LEU   1  -8.253   9.068  -1.250
   14    HA   LEU   1           HA       LEU   1 -10.549   7.678  -2.159
   15    HB2  LEU   1          1HB       LEU   1  -7.646   7.136  -2.102
   16    HB3  LEU   1          2HB       LEU   1  -8.704   6.057  -3.040
   17    HG   LEU   1           HG       LEU   1  -7.920   8.927  -3.585
   18   HD11  LEU   1          1HD1      LEU   1  -7.487   7.997  -5.874
   19   HD12  LEU   1          2HD1      LEU   1  -6.590   7.096  -4.630
   20   HD13  LEU   1          3HD1      LEU   1  -8.079   6.412  -5.324
   21   HD21  LEU   1          1HD2      LEU   1  -9.683   9.042  -5.313
   22   HD22  LEU   1          2HD2      LEU   1 -10.316   7.478  -4.745
   23   HD23  LEU   1          3HD2      LEU   1 -10.343   8.894  -3.667
   24    H    LYS   2           H        LYS   2 -10.282   5.042  -1.978
   25    HA   LYS   2           HA       LYS   2  -9.868   4.485   0.878
   26    HB2  LYS   2          1HB       LYS   2 -11.485   2.632   0.549
   27    HB3  LYS   2          2HB       LYS   2 -12.196   4.250   0.336
   28    HG2  LYS   2          1HG       LYS   2 -12.008   3.965  -2.131
   29    HG3  LYS   2          2HG       LYS   2 -11.409   2.311  -1.865
   30    HD2  LYS   2          1HD       LYS   2 -13.499   1.696  -0.768
   31    HD3  LYS   2          2HD       LYS   2 -14.097   3.365  -0.922
   32    HE2  LYS   2          1HE       LYS   2 -13.955   3.160  -3.387
   33    HE3  LYS   2          2HE       LYS   2 -13.434   1.470  -3.197
   34    HZ1  LYS   2          1HZ       LYS   2 -15.789   1.631  -3.640
   35    HZ2  LYS   2          2HZ       LYS   2 -15.538   1.009  -2.132
   36    H    CYS   3           H        CYS   3  -8.315   3.015   1.373
   37    HA   CYS   3           HA       CYS   3  -7.360   1.371  -0.860
   38    HB2  CYS   3          1HB       CYS   3  -5.706   2.435   1.435
   39    HB3  CYS   3          2HB       CYS   3  -5.132   1.452   0.104
   40    H    ASN   4           H        ASN   4  -6.172  -0.690   0.094
   41    HA   ASN   4           HA       ASN   4  -8.173  -1.788   1.865
   42    HB2  ASN   4          1HB       ASN   4  -6.249  -3.333  -0.021
   43    HB3  ASN   4          2HB       ASN   4  -7.307  -3.794   1.335
   44   HD21  ASN   4          1HD2      ASN   4  -8.887  -3.802  -2.187
   45   HD22  ASN   4          2HD2      ASN   4  -7.258  -4.159  -1.717
   46    H    LYS   5           H        LYS   5  -7.577  -2.834   3.866
   47    HA   LYS   5           HA       LYS   5  -4.962  -2.270   4.892
   48    HB2  LYS   5          1HB       LYS   5  -7.254  -3.960   5.937
   49    HB3  LYS   5          2HB       LYS   5  -5.783  -3.549   6.850
   50    HG2  LYS   5          1HG       LYS   5  -6.374  -1.223   6.906
   51    HG3  LYS   5          2HG       LYS   5  -7.717  -1.480   5.766
   52    HD2  LYS   5          1HD       LYS   5  -8.618  -1.267   8.004
   53    HD3  LYS   5          2HD       LYS   5  -8.815  -2.948   7.452
   54    HE2  LYS   5          1HE       LYS   5  -6.809  -3.602   8.709
   55    HE3  LYS   5          2HE       LYS   5  -6.600  -1.922   9.255
   56    HZ1  LYS   5          1HZ       LYS   5  -7.689  -3.269  10.918
   57    HZ2  LYS   5          2HZ       LYS   5  -8.716  -2.094  10.381
   58    H    LEU   6           H        LEU   6  -3.816  -4.263   6.077
   59    HA   LEU   6           HA       LEU   6  -3.017  -6.211   4.324
   60    HB2  LEU   6          1HB       LEU   6  -1.915  -5.686   6.426
   61    HB3  LEU   6          2HB       LEU   6  -3.275  -6.320   7.330
   62    HG   LEU   6           HG       LEU   6  -2.831  -8.575   6.420
   63   HD11  LEU   6          1HD1      LEU   6  -0.380  -8.733   5.411
   64   HD12  LEU   6          2HD1      LEU   6  -1.809  -8.458   4.387
   65   HD13  LEU   6          3HD1      LEU   6  -0.773  -7.088   4.856
   66   HD21  LEU   6          1HD2      LEU   6  -0.988  -9.084   7.823
   67   HD22  LEU   6          2HD2      LEU   6  -0.326  -7.438   7.673
   68   HD23  LEU   6          3HD2      LEU   6  -1.838  -7.711   8.574
   69    H    VAL   7           H        VAL   7  -5.895  -6.114   6.484
   70    HA   VAL   7           HA       VAL   7  -6.839  -8.635   5.497
   71    HB   VAL   7           HB       VAL   7  -8.239  -6.381   7.009
   72   HG11  VAL   7          1HG1      VAL   7  -9.981  -8.069   7.486
   73   HG12  VAL   7          2HG1      VAL   7  -9.834  -7.776   5.736
   74   HG13  VAL   7          3HG1      VAL   7  -9.126  -9.242   6.456
   75   HG21  VAL   7          1HG2      VAL   7  -8.016  -7.837   8.959
   76   HG22  VAL   7          2HG2      VAL   7  -7.090  -9.001   7.982
   77   HG23  VAL   7          3HG2      VAL   7  -6.435  -7.375   8.286
   78    HA   PRO   8           HA       PRO   8  -7.918  -6.812   1.793
   79    HB2  PRO   8          1HB       PRO   8  -8.659  -9.034   0.378
   80    HB3  PRO   8          2HB       PRO   8  -6.962  -8.729   0.775
   81    HG2  PRO   8          1HG       PRO   8  -8.986 -10.448   2.248
   82    HG3  PRO   8          2HG       PRO   8  -7.306 -10.817   1.834
   83    HD2  PRO   8          1HD       PRO   8  -7.969  -9.972   4.341
   84    HD3  PRO   8          2HD       PRO   8  -6.437  -9.485   3.606
   85    H    ILE   9           H        ILE   9 -10.155  -7.911   3.926
   86    HA   ILE   9           HA       ILE   9 -12.324  -7.111   2.115
   87    HB   ILE   9           HB       ILE   9 -13.818  -8.369   3.690
   88   HG12  ILE   9          1HG1      ILE   9 -11.289  -9.380   4.953
   89   HG13  ILE   9          2HG1      ILE   9 -12.277  -8.061   5.623
   90   HG21  ILE   9          1HG2      ILE   9 -13.098 -10.641   3.036
   91   HG22  ILE   9          2HG2      ILE   9 -12.928  -9.502   1.681
   92   HG23  ILE   9          3HG2      ILE   9 -11.493 -10.009   2.602
   93   HD11  ILE   9          1HD1      ILE   9 -12.801 -10.206   6.714
   94   HD12  ILE   9          2HD1      ILE   9 -14.200  -9.591   5.802
   95   HD13  ILE   9          3HD1      ILE   9 -13.211 -10.910   5.133
   96    H    ALA  10           H        ALA  10 -10.349  -5.507   3.872
   97    HA   ALA  10           HA       ALA  10 -12.469  -3.856   4.994
   98    HB1  ALA  10          1HB       ALA  10 -11.529  -5.354   6.812
   99    HB2  ALA  10          2HB       ALA  10  -9.959  -4.555   6.563
  100    HB3  ALA  10          3HB       ALA  10 -11.361  -3.608   7.116
  101    H    TYR  11           H        TYR  11 -12.141  -1.708   4.541
  102    HA   TYR  11           HA       TYR  11  -9.509  -1.040   3.403
  103    HB2  TYR  11          1HB       TYR  11 -10.667   0.592   2.037
  104    HB3  TYR  11          2HB       TYR  11 -11.254  -1.063   1.740
  105    HD1  TYR  11          1HD       TYR  11 -12.116   2.255   3.071
  106    HD2  TYR  11          2HD       TYR  11 -13.514  -1.718   2.410
  107    HE1  TYR  11          1HE       TYR  11 -14.436   3.009   3.501
  108    HE2  TYR  11          2HE       TYR  11 -15.835  -0.984   2.836
  109    HH   TYR  11           HH       TYR  11 -16.624   2.409   3.633
  110    H    LYS  12           H        LYS  12  -8.724   1.163   3.775
  111    HA   LYS  12           HA       LYS  12 -10.141   2.528   5.958
  112    HB2  LYS  12          1HB       LYS  12  -7.196   2.539   5.230
  113    HB3  LYS  12          2HB       LYS  12  -7.945   3.549   6.490
  114    HG2  LYS  12          1HG       LYS  12  -8.456   1.629   7.835
  115    HG3  LYS  12          2HG       LYS  12  -7.993   0.518   6.524
  116    HD2  LYS  12          1HD       LYS  12  -6.159   0.505   8.018
  117    HD3  LYS  12          2HD       LYS  12  -5.662   1.555   6.670
  118    HE2  LYS  12          1HE       LYS  12  -6.167   3.538   7.950
  119    HE3  LYS  12          2HE       LYS  12  -6.864   2.562   9.264
  120    HZ1  LYS  12          1HZ       LYS  12  -4.628   3.275   9.774
  121    HZ2  LYS  12          2HZ       LYS  12  -4.681   1.631   9.641
  122    H    THR  13           H        THR  13 -10.404   4.814   5.772
  123    HA   THR  13           HA       THR  13 -10.262   5.838   3.081
  124    HB   THR  13           HB       THR  13 -10.933   7.204   5.734
  125    HG1  THR  13          1HG       THR  13 -13.110   6.898   4.973
  126   HG21  THR  13          1HG2      THR  13 -11.999   8.915   4.307
  127   HG22  THR  13          2HG2      THR  13 -10.259   8.783   3.957
  128   HG23  THR  13          3HG2      THR  13 -11.447   8.048   2.855
  129    H    CYS  14           H        CYS  14  -8.763   7.152   2.178
  130    HA   CYS  14           HA       CYS  14  -6.251   7.225   3.454
  131    HB2  CYS  14          1HB       CYS  14  -7.641   8.487   0.985
  132    HB3  CYS  14          2HB       CYS  14  -5.886   8.654   1.243
  133    HA   PRO  15           HA       PRO  15  -6.663  11.069   5.477
  134    HB2  PRO  15          1HB       PRO  15  -4.096  11.861   5.842
  135    HB3  PRO  15          2HB       PRO  15  -4.725  10.464   6.727
  136    HG2  PRO  15          1HG       PRO  15  -3.134  10.521   4.140
  137    HG3  PRO  15          2HG       PRO  15  -2.905   9.492   5.561
  138    HD2  PRO  15          1HD       PRO  15  -4.246   8.597   3.335
  139    HD3  PRO  15          2HD       PRO  15  -4.675   8.037   4.957
  140    H    GLU  16           H        GLU  16  -6.552  13.396   5.343
  141    HA   GLU  16           HA       GLU  16  -6.995  14.223   2.767
  142    HB2  GLU  16          1HB       GLU  16  -7.756  15.396   4.771
  143    HB3  GLU  16          2HB       GLU  16  -6.074  15.796   5.193
  144    HG2  GLU  16          1HG       GLU  16  -5.942  17.249   3.110
  145    HG3  GLU  16          2HG       GLU  16  -7.605  16.705   2.792
  146    HE2  GLU  16           HE       GLU  16  -7.763  19.851   4.609
  147    H    GLY  17           H        GLY  17  -5.713  15.014   1.102
  148    HA2  GLY  17          1HA       GLY  17  -3.828  16.021   0.203
  149    HA3  GLY  17          2HA       GLY  17  -2.934  15.717   1.677
  150    H    LYS  18           H        LYS  18  -4.156  12.825   1.641
  151    HA   LYS  18           HA       LYS  18  -2.184  11.756  -0.230
  152    HB2  LYS  18          1HB       LYS  18  -3.735  10.601   2.097
  153    HB3  LYS  18          2HB       LYS  18  -2.776   9.600   0.982
  154    HG2  LYS  18          1HG       LYS  18  -1.537  10.087   3.054
  155    HG3  LYS  18          2HG       LYS  18  -0.740  10.793   1.627
  156    HD2  LYS  18          1HD       LYS  18  -1.577  12.983   2.148
  157    HD3  LYS  18          2HD       LYS  18  -2.627  12.336   3.431
  158    HE2  LYS  18          1HE       LYS  18  -0.599  13.421   4.336
  159    HE3  LYS  18          2HE       LYS  18  -0.695  11.693   4.751
  160    HZ1  LYS  18          1HZ       LYS  18   1.511  12.315   4.034
  161    HZ2  LYS  18          2HZ       LYS  18   0.849  11.246   2.965
  162    H    ASN  19           H        ASN  19  -2.781   9.993  -1.685
  163    HA   ASN  19           HA       ASN  19  -5.617  10.061  -2.319
  164    HB2  ASN  19          1HB       ASN  19  -4.378  11.782  -3.896
  165    HB3  ASN  19          2HB       ASN  19  -3.431  10.294  -4.138
  166   HD21  ASN  19          1HD2      ASN  19  -6.890  10.968  -6.142
  167   HD22  ASN  19          2HD2      ASN  19  -6.300  12.042  -4.918
  168    H    LEU  20           H        LEU  20  -2.316   8.612  -2.834
  169    HA   LEU  20           HA       LEU  20  -3.483   6.639  -4.586
  170    HB2  LEU  20          1HB       LEU  20  -0.731   7.049  -3.585
  171    HB3  LEU  20          2HB       LEU  20  -1.066   6.056  -5.023
  172    HG   LEU  20           HG       LEU  20  -1.444   9.066  -4.777
  173   HD11  LEU  20          1HD1      LEU  20   0.404   9.172  -6.471
  174   HD12  LEU  20          2HD1      LEU  20   0.943   8.372  -4.975
  175   HD13  LEU  20          3HD1      LEU  20   0.540   7.399  -6.410
  176   HD21  LEU  20          1HD2      LEU  20  -1.979   8.994  -7.188
  177   HD22  LEU  20          2HD2      LEU  20  -1.893   7.215  -7.136
  178   HD23  LEU  20          3HD2      LEU  20  -3.138   8.075  -6.199
  179    H    CYS  21           H        CYS  21  -3.005   4.301  -4.343
  180    HA   CYS  21           HA       CYS  21  -2.969   3.604  -1.503
  181    HB2  CYS  21          1HB       CYS  21  -4.054   2.068  -3.870
  182    HB3  CYS  21          2HB       CYS  21  -4.017   1.475  -2.222
  183    H    TYR  22           H        TYR  22  -1.248   2.375  -0.740
  184    HA   TYR  22           HA       TYR  22   0.611   1.355  -2.782
  185    HB2  TYR  22          1HB       TYR  22   2.426   2.072  -1.534
  186    HB3  TYR  22          2HB       TYR  22   1.291   3.443  -1.522
  187    HD1  TYR  22          1HD       TYR  22   2.788   0.746   0.514
  188    HD2  TYR  22          2HD       TYR  22   0.244   4.167   0.534
  189    HE1  TYR  22          1HE       TYR  22   2.856   0.771   2.990
  190    HE2  TYR  22          2HE       TYR  22   0.301   4.208   3.004
  191    HH   TYR  22           HH       TYR  22   1.101   3.224   4.895
  192    H    LYS  23           H        LYS  23   1.779  -0.591  -2.244
  193    HA   LYS  23           HA       LYS  23   0.964  -1.846   0.274
  194    HB2  LYS  23          1HB       LYS  23   0.947  -4.020  -0.879
  195    HB3  LYS  23          2HB       LYS  23  -0.316  -2.919  -1.477
  196    HG2  LYS  23          1HG       LYS  23   0.983  -2.439  -3.472
  197    HG3  LYS  23          2HG       LYS  23   2.343  -3.409  -2.859
  198    HD2  LYS  23          1HD       LYS  23   0.988  -4.621  -4.552
  199    HD3  LYS  23          2HD       LYS  23   1.010  -5.433  -2.969
  200    HE2  LYS  23          1HE       LYS  23  -1.179  -4.498  -2.430
  201    HE3  LYS  23          2HE       LYS  23  -1.199  -3.611  -3.971
  202    HZ1  LYS  23          1HZ       LYS  23  -2.479  -5.639  -4.095
  203    HZ2  LYS  23          2HZ       LYS  23  -1.183  -5.724  -5.113
  204    H    MET  24           H        MET  24   2.582  -3.242   1.212
  205    HA   MET  24           HA       MET  24   5.218  -2.594   0.136
  206    HB2  MET  24          1HB       MET  24   4.234  -3.026   2.963
  207    HB3  MET  24          2HB       MET  24   5.959  -2.935   2.531
  208    HG2  MET  24          1HG       MET  24   5.676  -0.656   1.738
  209    HG3  MET  24          2HG       MET  24   3.925  -0.738   2.043
  210    HE1  MET  24          1HE       MET  24   7.102  -0.874   5.418
  211    HE2  MET  24          2HE       MET  24   6.770  -2.239   4.323
  212    HE3  MET  24          3HE       MET  24   7.511  -0.749   3.691
  213    H    PHE  25           H        PHE  25   6.712  -4.260  -0.188
  214    HA   PHE  25           HA       PHE  25   5.841  -6.920   0.699
  215    HB2  PHE  25          1HB       PHE  25   7.635  -5.965  -1.614
  216    HB3  PHE  25          2HB       PHE  25   7.337  -7.654  -1.252
  217    HD1  PHE  25          1HD       PHE  25   5.817  -4.550  -2.482
  218    HD2  PHE  25          2HD       PHE  25   5.290  -8.715  -1.905
  219    HE1  PHE  25          1HE       PHE  25   3.779  -4.498  -3.965
  220    HE2  PHE  25          2HE       PHE  25   3.264  -8.670  -3.383
  221    HZ   PHE  25           HZ       PHE  25   2.531  -6.564  -4.396
  222    H    MET  26           H        MET  26   7.714  -8.460   1.180
  223    HA   MET  26           HA       MET  26  10.122  -6.965   1.870
  224    HB2  MET  26          1HB       MET  26   8.974  -9.506   3.039
  225    HB3  MET  26          2HB       MET  26  10.592  -8.872   3.426
  226    HG2  MET  26          1HG       MET  26   9.566  -6.825   4.331
  227    HG3  MET  26          2HG       MET  26   7.951  -7.474   3.958
  228    HE1  MET  26          1HE       MET  26   8.099  -7.652   7.898
  229    HE2  MET  26          2HE       MET  26   8.820  -6.398   6.857
  230    HE3  MET  26          3HE       MET  26   7.201  -7.043   6.486
  231    H    MET  27           H        MET  27  12.167  -7.841   1.216
  232    HA   MET  27           HA       MET  27  12.142  -8.725  -1.325
  233    HB2  MET  27          1HB       MET  27  14.177  -8.915   0.882
  234    HB3  MET  27          2HB       MET  27  14.544  -9.518  -0.752
  235    HG2  MET  27          1HG       MET  27  13.760  -6.677  -0.022
  236    HG3  MET  27          2HG       MET  27  15.404  -7.240  -0.408
  237    HE1  MET  27          1HE       MET  27  15.201  -8.081  -4.196
  238    HE2  MET  27          2HE       MET  27  16.260  -7.842  -2.784
  239    HE3  MET  27          3HE       MET  27  15.091  -9.184  -2.803
  240    H    SER  28           H        SER  28  12.076 -10.677   1.672
  241    HA   SER  28           HA       SER  28  12.453 -13.144   0.456
  242    HB2  SER  28          1HB       SER  28  12.562 -12.800   2.862
  243    HB3  SER  28          2HB       SER  28  10.844 -12.343   2.900
  244    HG   SER  28           HG       SER  28  11.199 -14.519   3.518
  245    H    ASP  29           H        ASP  29   9.339 -11.618   1.589
  246    HA   ASP  29           HA       ASP  29   7.951 -13.455  -0.138
  247    HB2  ASP  29          1HB       ASP  29   7.225 -13.104   2.298
  248    HB3  ASP  29          2HB       ASP  29   6.939 -11.434   1.752
  249    HD2  ASP  29           HD       ASP  29   3.789 -13.273   1.512
  250    H    LEU  30           H        LEU  30   8.655 -12.321  -2.177
  251    HA   LEU  30           HA       LEU  30   7.645  -9.680  -2.637
  252    HB2  LEU  30          1HB       LEU  30   9.020 -11.824  -4.009
  253    HB3  LEU  30          2HB       LEU  30   8.193 -10.732  -5.144
  254    HG   LEU  30           HG       LEU  30   9.753  -9.119  -4.906
  255   HD11  LEU  30          1HD1      LEU  30  10.701  -8.433  -2.687
  256   HD12  LEU  30          2HD1      LEU  30   8.928  -8.566  -2.619
  257   HD13  LEU  30          3HD1      LEU  30   9.945  -9.859  -1.940
  258   HD21  LEU  30          1HD2      LEU  30  11.999  -9.897  -4.236
  259   HD22  LEU  30          2HD2      LEU  30  11.263 -11.354  -3.524
  260   HD23  LEU  30          3HD2      LEU  30  11.151 -11.065  -5.276
  261    H    THR  31           H        THR  31   6.320 -12.857  -2.499
  262    HA   THR  31           HA       THR  31   4.568 -12.630  -4.740
  263    HB   THR  31           HB       THR  31   4.519 -14.486  -2.310
  264    HG1  THR  31          1HG       THR  31   5.502 -15.949  -3.830
  265   HG21  THR  31          1HG2      THR  31   3.107 -15.934  -3.728
  266   HG22  THR  31          2HG2      THR  31   2.334 -14.353  -3.460
  267   HG23  THR  31          3HG2      THR  31   3.131 -14.702  -5.011
  268    H    ILE  32           H        ILE  32   4.248 -12.125  -1.189
  269    HA   ILE  32           HA       ILE  32   1.612 -10.966  -1.759
  270    HB   ILE  32           HB       ILE  32   2.419 -12.827   0.525
  271   HG12  ILE  32          1HG1      ILE  32   1.807 -13.920  -1.539
  272   HG13  ILE  32          2HG1      ILE  32   0.643 -14.225  -0.228
  273   HG21  ILE  32          1HG2      ILE  32   0.152 -12.432   1.428
  274   HG22  ILE  32          2HG2      ILE  32   1.100 -10.927   1.397
  275   HG23  ILE  32          3HG2      ILE  32  -0.144 -11.221   0.159
  276   HD11  ILE  32          1HD1      ILE  32  -0.510 -13.859  -2.374
  277   HD12  ILE  32          2HD1      ILE  32  -0.897 -12.570  -1.210
  278   HD13  ILE  32          3HD1      ILE  32   0.266 -12.267  -2.521
  279    HA   PRO  33           HA       PRO  33   3.452  -7.635   0.377
  280    HB2  PRO  33          1HB       PRO  33   1.387  -5.867   0.299
  281    HB3  PRO  33          2HB       PRO  33   2.344  -6.185  -1.155
  282    HG2  PRO  33          1HG       PRO  33  -0.300  -7.413  -0.307
  283    HG3  PRO  33          2HG       PRO  33   0.182  -6.801  -1.894
  284    HD2  PRO  33          1HD       PRO  33   0.254  -9.484  -1.297
  285    HD3  PRO  33          2HD       PRO  33   1.407  -8.756  -2.425
  286    H    VAL  34           H        VAL  34   3.189  -6.325   2.387
  287    HA   VAL  34           HA       VAL  34   1.970  -8.250   4.245
  288    HB   VAL  34           HB       VAL  34   3.855  -7.707   5.785
  289   HG11  VAL  34          1HG1      VAL  34   5.645  -8.873   4.540
  290   HG12  VAL  34          2HG1      VAL  34   4.066  -9.645   4.265
  291   HG13  VAL  34          3HG1      VAL  34   4.771  -8.589   3.017
  292   HG21  VAL  34          1HG2      VAL  34   5.789  -6.450   4.981
  293   HG22  VAL  34          2HG2      VAL  34   4.921  -6.080   3.472
  294   HG23  VAL  34          3HG2      VAL  34   4.317  -5.454   5.025
  295    H    LYS  35           H        LYS  35   2.312  -4.941   3.173
  296    HA   LYS  35           HA       LYS  35   0.390  -4.184   5.215
  297    HB2  LYS  35          1HB       LYS  35   3.090  -2.874   4.858
  298    HB3  LYS  35          2HB       LYS  35   1.729  -2.018   5.548
  299    HG2  LYS  35          1HG       LYS  35   1.497  -4.081   7.148
  300    HG3  LYS  35          2HG       LYS  35   3.111  -4.503   6.620
  301    HD2  LYS  35          1HD       LYS  35   3.561  -3.194   8.519
  302    HD3  LYS  35          2HD       LYS  35   3.723  -2.016   7.230
  303    HE2  LYS  35          1HE       LYS  35   1.446  -1.181   7.622
  304    HE3  LYS  35          2HE       LYS  35   1.125  -2.461   8.775
  305    HZ1  LYS  35          1HZ       LYS  35   1.718  -0.508   9.938
  306    HZ2  LYS  35          2HZ       LYS  35   2.958  -1.556  10.112
  307    H    ARG  36           H        ARG  36  -1.034  -2.530   4.530
  308    HA   ARG  36           HA       ARG  36  -0.448  -1.363   1.962
  309    HB2  ARG  36          1HB       ARG  36  -2.937  -2.940   2.480
  310    HB3  ARG  36          2HB       ARG  36  -2.709  -1.816   1.120
  311    HG2  ARG  36          1HG       ARG  36  -2.062  -3.681   0.019
  312    HG3  ARG  36          2HG       ARG  36  -0.509  -3.371   0.833
  313    HD2  ARG  36          1HD       ARG  36  -1.072  -5.671   1.009
  314    HD3  ARG  36          2HD       ARG  36  -1.175  -4.905   2.610
  315    HE   ARG  36           HE       ARG  36  -3.621  -5.366   2.552
  316   HH11  ARG  36          1HH       ARG  36  -3.469  -7.132  -0.968
  317   HH21  ARG  36          1HH2      ARG  36  -5.258  -6.412   2.045
  318   HH22  ARG  36          2HH2      ARG  36  -5.328  -7.256   0.510
  319    H    GLY  37           H        GLY  37  -1.497   0.706   1.665
  320    HA2  GLY  37          1HA       GLY  37  -3.414   1.720   3.507
  321    HA3  GLY  37          2HA       GLY  37  -1.794   2.203   3.965
  322    H    CYS  38           H        CYS  38  -2.626   4.437   3.491
  323    HA   CYS  38           HA       CYS  38  -2.807   4.935   0.615
  324    HB2  CYS  38          1HB       CYS  38  -3.738   6.665   2.911
  325    HB3  CYS  38          2HB       CYS  38  -3.916   7.036   1.208
  326    H    ILE  39           H        ILE  39  -1.531   6.751  -0.256
  327    HA   ILE  39           HA       ILE  39  -0.100   8.390   1.589
  328    HB   ILE  39           HB       ILE  39   1.454   6.382   1.266
  329   HG12  ILE  39          1HG1      ILE  39   2.643   8.859   0.090
  330   HG13  ILE  39          2HG1      ILE  39   2.068   8.811   1.772
  331   HG21  ILE  39          1HG2      ILE  39   2.631   6.233  -0.902
  332   HG22  ILE  39          2HG2      ILE  39   0.889   5.930  -1.097
  333   HG23  ILE  39          3HG2      ILE  39   1.576   7.503  -1.563
  334   HD11  ILE  39          1HD1      ILE  39   4.487   8.362   1.647
  335   HD12  ILE  39          2HD1      ILE  39   3.599   6.940   2.244
  336   HD13  ILE  39          3HD1      ILE  39   4.175   6.988   0.562
  337    H    ASP  40           H        ASP  40   1.072  10.182   0.367
  338    HA   ASP  40           HA       ASP  40  -0.685  10.932  -1.768
  339    HB2  ASP  40          1HB       ASP  40   0.463  13.204  -1.509
  340    HB3  ASP  40          2HB       ASP  40  -0.344  12.425  -0.126
  341    HD2  ASP  40           HD       ASP  40   3.068  13.632   0.764
  342    H    VAL  41           H        VAL  41   2.871  10.532  -1.109
  343    HA   VAL  41           HA       VAL  41   3.284  10.382  -4.017
  344    HB   VAL  41           HB       VAL  41   5.224  11.253  -1.824
  345   HG11  VAL  41          1HG1      VAL  41   6.753  11.769  -3.697
  346   HG12  VAL  41          2HG1      VAL  41   6.346  10.037  -3.660
  347   HG13  VAL  41          3HG1      VAL  41   5.566  11.110  -4.848
  348   HG21  VAL  41          1HG2      VAL  41   5.134  13.448  -2.894
  349   HG22  VAL  41          2HG2      VAL  41   3.889  12.848  -4.015
  350   HG23  VAL  41          3HG2      VAL  41   3.547  12.943  -2.271
  351    H    CYS  42           H        CYS  42   4.161   8.515  -4.829
  352    HA   CYS  42           HA       CYS  42   4.071   6.291  -3.107
  353    HB2  CYS  42          1HB       CYS  42   3.411   6.178  -5.448
  354    HB3  CYS  42          2HB       CYS  42   5.048   6.543  -5.959
  355    HA   PRO  43           HA       PRO  43   8.232   6.690  -1.750
  356    HB2  PRO  43          1HB       PRO  43   8.371   4.471  -0.155
  357    HB3  PRO  43          2HB       PRO  43   7.548   5.938   0.393
  358    HG2  PRO  43          1HG       PRO  43   6.369   3.459  -0.899
  359    HG3  PRO  43          2HG       PRO  43   5.773   4.383   0.487
  360    HD2  PRO  43          1HD       PRO  43   4.708   4.726  -2.015
  361    HD3  PRO  43          2HD       PRO  43   4.825   6.076  -0.880
  362    H    LYS  44           H        LYS  44  10.235   6.165  -2.481
  363    HA   LYS  44           HA       LYS  44  10.242   4.378  -4.676
  364    HB2  LYS  44          1HB       LYS  44  12.451   5.698  -3.070
  365    HB3  LYS  44          2HB       LYS  44  12.722   4.757  -4.557
  366    HG2  LYS  44          1HG       LYS  44  11.361   6.365  -5.827
  367    HG3  LYS  44          2HG       LYS  44  11.080   7.304  -4.342
  368    HD2  LYS  44          1HD       LYS  44  13.479   7.747  -4.142
  369    HD3  LYS  44          2HD       LYS  44  13.796   6.761  -5.588
  370    HE2  LYS  44          1HE       LYS  44  12.450   8.307  -6.942
  371    HE3  LYS  44          2HE       LYS  44  12.128   9.293  -5.498
  372    HZ1  LYS  44          1HZ       LYS  44  13.918  10.203  -6.814
  373    HZ2  LYS  44          2HZ       LYS  44  14.487   9.722  -5.344
  374    H    ASN  45           H        ASN  45  11.716   2.457  -4.864
  375    HA   ASN  45           HA       ASN  45  10.892   0.703  -2.841
  376    HB2  ASN  45          1HB       ASN  45  12.723   0.027  -5.256
  377    HB3  ASN  45          2HB       ASN  45  12.042  -0.874  -3.880
  378   HD21  ASN  45          1HD2      ASN  45   9.925  -0.881  -7.072
  379   HD22  ASN  45          2HD2      ASN  45  11.644  -0.944  -6.866
  380    H    SER  46           H        SER  46  12.203  -0.387  -1.240
  381    HA   SER  46           HA       SER  46  14.848   0.789  -0.916
  382    HB2  SER  46          1HB       SER  46  14.631   0.253   1.449
  383    HB3  SER  46          2HB       SER  46  13.221   1.189   0.902
  384    HG   SER  46           HG       SER  46  12.087  -0.798   0.758
  385    H    LEU  47           H        LEU  47  16.297  -0.907   0.513
  386    HA   LEU  47           HA       LEU  47  16.666  -3.058  -1.325
  387    HB2  LEU  47          1HB       LEU  47  17.871  -2.249   1.246
  388    HB3  LEU  47          2HB       LEU  47  18.605  -3.585   0.329
  389    HG   LEU  47           HG       LEU  47  18.382  -0.684  -0.561
  390   HD11  LEU  47          1HD1      LEU  47  20.885  -0.721  -0.406
  391   HD12  LEU  47          2HD1      LEU  47  20.134  -1.072   1.168
  392   HD13  LEU  47          3HD1      LEU  47  20.808  -2.397   0.188
  393   HD21  LEU  47          1HD2      LEU  47  19.725  -1.384  -2.513
  394   HD22  LEU  47          2HD2      LEU  47  19.619  -3.073  -1.958
  395   HD23  LEU  47          3HD2      LEU  47  18.145  -2.199  -2.439
  396    H    LEU  48           H        LEU  48  14.963  -2.564   1.692
  397    HA   LEU  48           HA       LEU  48  15.109  -5.413   2.316
  398    HB2  LEU  48          1HB       LEU  48  14.092  -3.007   3.698
  399    HB3  LEU  48          2HB       LEU  48  13.998  -4.589   4.507
  400    HG   LEU  48           HG       LEU  48  16.521  -3.072   3.737
  401   HD11  LEU  48          1HD1      LEU  48  16.905  -3.011   6.215
  402   HD12  LEU  48          2HD1      LEU  48  15.380  -2.206   5.776
  403   HD13  LEU  48          3HD1      LEU  48  15.354  -3.849   6.460
  404   HD21  LEU  48          1HD2      LEU  48  17.748  -4.913   4.837
  405   HD22  LEU  48          2HD2      LEU  48  16.211  -5.788   5.049
  406   HD23  LEU  48          3HD2      LEU  48  16.829  -5.455   3.413
  407    H    VAL  49           H        VAL  49  12.758  -2.727   1.734
  408    HA   VAL  49           HA       VAL  49  10.740  -4.808   1.253
  409    HB   VAL  49           HB       VAL  49   9.053  -3.141   2.117
  410   HG11  VAL  49          1HG1      VAL  49   9.560  -3.485   4.512
  411   HG12  VAL  49          2HG1      VAL  49   9.880  -4.961   3.571
  412   HG13  VAL  49          3HG1      VAL  49  11.233  -3.928   4.095
  413   HG21  VAL  49          1HG2      VAL  49   9.824  -1.262   3.476
  414   HG22  VAL  49          2HG2      VAL  49  11.507  -1.626   3.022
  415   HG23  VAL  49          3HG2      VAL  49  10.337  -1.115   1.780
  416    H    LYS  50           H        LYS  50   9.272  -4.403  -0.470
  417    HA   LYS  50           HA       LYS  50  10.211  -2.291  -2.269
  418    HB2  LYS  50          1HB       LYS  50  10.300  -4.578  -3.134
  419    HB3  LYS  50          2HB       LYS  50   8.579  -4.804  -2.742
  420    HG2  LYS  50          1HG       LYS  50   7.992  -3.044  -4.380
  421    HG3  LYS  50          2HG       LYS  50   9.714  -2.874  -4.794
  422    HD2  LYS  50          1HD       LYS  50   9.777  -5.213  -5.538
  423    HD3  LYS  50          2HD       LYS  50   8.064  -5.406  -5.098
  424    HE2  LYS  50          1HE       LYS  50   7.479  -3.625  -6.723
  425    HE3  LYS  50          2HE       LYS  50   9.189  -3.533  -7.202
  426    HZ1  LYS  50          1HZ       LYS  50   7.919  -4.917  -8.699
  427    HZ2  LYS  50          2HZ       LYS  50   9.048  -5.825  -7.908
  428    H    TYR  51           H        TYR  51   8.703  -0.864  -3.270
  429    HA   TYR  51           HA       TYR  51   6.134  -0.758  -1.836
  430    HB2  TYR  51          1HB       TYR  51   7.919   1.463  -2.836
  431    HB3  TYR  51          2HB       TYR  51   6.270   1.686  -2.201
  432    HD1  TYR  51          1HD       TYR  51   9.771   1.065  -1.347
  433    HD2  TYR  51          2HD       TYR  51   5.802   1.279   0.197
  434    HE1  TYR  51          1HE       TYR  51  10.682   1.192   0.954
  435    HE2  TYR  51          2HE       TYR  51   6.694   1.408   2.499
  436    HH   TYR  51           HH       TYR  51   8.557   1.445   3.808
  437    H    VAL  52           H        VAL  52   4.356  -0.991  -3.102
  438    HA   VAL  52           HA       VAL  52   4.595  -0.011  -5.863
  439    HB   VAL  52           HB       VAL  52   2.879  -2.312  -4.817
  440   HG11  VAL  52          1HG1      VAL  52   2.268  -2.627  -7.192
  441   HG12  VAL  52          2HG1      VAL  52   1.769  -1.020  -6.610
  442   HG13  VAL  52          3HG1      VAL  52   3.220  -1.188  -7.629
  443   HG21  VAL  52          1HG2      VAL  52   4.258  -3.735  -6.246
  444   HG22  VAL  52          2HG2      VAL  52   5.282  -2.336  -6.649
  445   HG23  VAL  52          3HG2      VAL  52   5.214  -2.939  -4.975
  446    H    CYS  53           H        CYS  53   3.090   1.494  -6.502
  447    HA   CYS  53           HA       CYS  53   0.914   1.977  -4.599
  448    HB2  CYS  53          1HB       CYS  53   2.263   4.089  -6.281
  449    HB3  CYS  53          2HB       CYS  53   1.043   4.329  -5.046
  450    H    CYS  54           H        CYS  54  -1.063   2.955  -5.698
  451    HA   CYS  54           HA       CYS  54  -1.127   2.832  -8.554
  452    HB2  CYS  54          1HB       CYS  54  -3.111   1.259  -8.553
  453    HB3  CYS  54          2HB       CYS  54  -1.521   0.550  -8.357
  454    H    ASN  55           H        ASN  55  -3.257   3.798  -9.340
  455    HA   ASN  55           HA       ASN  55  -3.687   5.864  -7.344
  456    HB2  ASN  55          1HB       ASN  55  -3.736   7.508  -9.280
  457    HB3  ASN  55          2HB       ASN  55  -2.451   6.285  -9.132
  458   HD21  ASN  55          1HD2      ASN  55  -3.639   6.644 -12.670
  459   HD22  ASN  55          2HD2      ASN  55  -3.136   7.775 -11.457
  460    H    THR  56           H        THR  56  -5.322   3.392  -7.511
  461    HA   THR  56           HA       THR  56  -7.898   4.714  -7.940
  462    HB   THR  56           HB       THR  56  -8.797   2.559  -8.865
  463    HG1  THR  56          1HG       THR  56  -7.211   1.032  -9.617
  464   HG21  THR  56          1HG2      THR  56  -7.833   2.784 -11.128
  465   HG22  THR  56          2HG2      THR  56  -8.149   4.380 -10.406
  466   HG23  THR  56          3HG2      THR  56  -6.489   3.741 -10.461
  467    H    ASP  57           H        ASP  57  -9.704   3.133  -7.002
  468    HA   ASP  57           HA       ASP  57  -8.919   3.125  -4.274
  469    HB2  ASP  57          1HB       ASP  57 -11.634   2.569  -5.593
  470    HB3  ASP  57          2HB       ASP  57 -11.192   2.520  -3.869
  471    HD2  ASP  57           HD       ASP  57 -11.889   6.016  -5.443
  472    H    ARG  58           H        ARG  58  -8.646   1.261  -2.939
  473    HA   ARG  58           HA       ARG  58  -8.400  -0.814  -2.376
  474    HB2  ARG  58          1HB       ARG  58 -10.820  -1.273  -4.075
  475    HB3  ARG  58          2HB       ARG  58 -10.159  -2.400  -2.868
  476    HG2  ARG  58          1HG       ARG  58 -10.480  -0.547  -1.156
  477    HG3  ARG  58          2HG       ARG  58 -11.417   0.313  -2.403
  478    HD2  ARG  58          1HD       ARG  58 -12.913  -0.789  -0.956
  479    HD3  ARG  58          2HD       ARG  58 -12.920  -1.633  -2.523
  480    HE   ARG  58           HE       ARG  58 -11.209  -3.027  -0.566
  481   HH11  ARG  58          1HH       ARG  58 -14.979  -4.114  -0.934
  482   HH21  ARG  58          1HH2      ARG  58 -11.657  -4.839   0.172
  483   HH22  ARG  58          2HH2      ARG  58 -13.295  -5.454   0.073
  484    H    CYS  59           H        CYS  59  -6.816   0.036  -4.654
  485    HA   CYS  59           HA       CYS  59  -6.980  -2.078  -6.599
  486    HB2  CYS  59          1HB       CYS  59  -5.089  -0.887  -7.669
  487    HB3  CYS  59          2HB       CYS  59  -6.539   0.078  -7.471
  488    H    ASN  60           H        ASN  60  -5.128  -1.087  -3.723
  489    HA   ASN  60           HA       ASN  60  -3.138  -3.101  -4.254
  490    HB2  ASN  60          1HB       ASN  60  -1.975  -2.160  -2.296
  491    HB3  ASN  60          2HB       ASN  60  -2.486  -0.843  -3.335
  492   HD21  ASN  60          1HD2      ASN  60  -1.949  -0.057  -0.950
  493   HD22  ASN  60          2HD2      ASN  60  -3.340   0.234   0.042
  Start of MODEL   11
    1    H1   MET   0          1H        MET   0 -11.795  11.125   2.832
    2    H2   MET   0          2H        MET   0 -12.752  11.778   1.880
    3    H    MET   0           H        MET   0 -12.713  10.238   1.985
    4    H3   MET   0          3H        MET   0 -12.759  10.287   2.046
    5    HA   MET   0           HA       MET   0 -11.319  11.728   0.142
    6    HB2  MET   0          1HB       MET   0  -9.577  10.199   2.090
    7    HB3  MET   0          2HB       MET   0  -9.019  10.896   0.549
    8    HG2  MET   0          1HG       MET   0 -10.175  12.483   2.862
    9    HG3  MET   0          2HG       MET   0  -8.437  12.276   2.543
   10    HE1  MET   0          1HE       MET   0  -7.920  14.190  -0.810
   11    HE2  MET   0          2HE       MET   0  -7.138  13.372   0.566
   12    HE3  MET   0          3HE       MET   0  -8.161  12.444  -0.559
   13    H    LEU   1           H        LEU   1  -9.305   9.586  -0.484
   14    HA   LEU   1           HA       LEU   1 -11.124   7.807  -1.795
   15    HB2  LEU   1          1HB       LEU   1  -8.190   7.969  -1.489
   16    HB3  LEU   1          2HB       LEU   1  -8.885   6.792  -2.627
   17    HG   LEU   1           HG       LEU   1  -9.068   9.825  -2.808
   18   HD11  LEU   1          1HD1      LEU   1  -7.698   9.514  -4.887
   19   HD12  LEU   1          2HD1      LEU   1  -6.842   8.904  -3.451
   20   HD13  LEU   1          3HD1      LEU   1  -7.635   7.765  -4.565
   21   HD21  LEU   1          1HD2      LEU   1 -10.191   9.438  -4.974
   22   HD22  LEU   1          2HD2      LEU   1 -10.178   7.687  -4.647
   23   HD23  LEU   1          3HD2      LEU   1 -11.109   8.782  -3.597
   24    H    LYS   2           H        LYS   2 -10.110   5.323  -1.772
   25    HA   LYS   2           HA       LYS   2  -9.870   4.603   1.059
   26    HB2  LYS   2          1HB       LYS   2 -11.319   2.621   0.509
   27    HB3  LYS   2          2HB       LYS   2 -12.154   4.191   0.563
   28    HG2  LYS   2          1HG       LYS   2 -12.085   4.298  -1.906
   29    HG3  LYS   2          2HG       LYS   2 -11.291   2.707  -1.942
   30    HD2  LYS   2          1HD       LYS   2 -13.251   1.705  -0.831
   31    HD3  LYS   2          2HD       LYS   2 -14.046   3.298  -0.807
   32    HE2  LYS   2          1HE       LYS   2 -13.924   3.361  -3.284
   33    HE3  LYS   2          2HE       LYS   2 -13.220   1.728  -3.268
   34    HZ1  LYS   2          1HZ       LYS   2 -15.586   1.670  -3.672
   35    HZ2  LYS   2          2HZ       LYS   2 -15.240   0.936  -2.235
   36    H    CYS   3           H        CYS   3  -8.299   3.101   1.479
   37    HA   CYS   3           HA       CYS   3  -7.321   1.606  -0.844
   38    HB2  CYS   3          1HB       CYS   3  -5.663   2.675   1.449
   39    HB3  CYS   3          2HB       CYS   3  -5.076   1.636   0.165
   40    H    ASN   4           H        ASN   4  -6.052  -0.462   0.062
   41    HA   ASN   4           HA       ASN   4  -8.105  -1.673   1.688
   42    HB2  ASN   4          1HB       ASN   4  -6.079  -3.088  -0.191
   43    HB3  ASN   4          2HB       ASN   4  -7.178  -3.638   1.097
   44   HD21  ASN   4          1HD2      ASN   4  -8.623  -3.486  -2.482
   45   HD22  ASN   4          2HD2      ASN   4  -7.005  -3.835  -1.969
   46    H    LYS   5           H        LYS   5  -7.585  -2.822   3.655
   47    HA   LYS   5           HA       LYS   5  -5.010  -2.284   4.807
   48    HB2  LYS   5          1HB       LYS   5  -7.380  -3.947   5.707
   49    HB3  LYS   5          2HB       LYS   5  -5.925  -3.646   6.685
   50    HG2  LYS   5          1HG       LYS   5  -6.419  -1.306   6.848
   51    HG3  LYS   5          2HG       LYS   5  -7.720  -1.437   5.642
   52    HD2  LYS   5          1HD       LYS   5  -8.633  -1.286   7.919
   53    HD3  LYS   5          2HD       LYS   5  -9.013  -2.855   7.169
   54    HE2  LYS   5          1HE       LYS   5  -7.151  -3.896   8.377
   55    HE3  LYS   5          2HE       LYS   5  -6.742  -2.327   9.110
   56    HZ1  LYS   5          1HZ       LYS   5  -8.040  -3.693  10.599
   57    HZ2  LYS   5          2HZ       LYS   5  -8.890  -2.341  10.185
   58    H    LEU   6           H        LEU   6  -3.990  -4.358   6.020
   59    HA   LEU   6           HA       LEU   6  -3.075  -6.197   4.188
   60    HB2  LEU   6          1HB       LEU   6  -2.132  -5.789   6.256
   61    HB3  LEU   6          2HB       LEU   6  -3.475  -6.433   7.228
   62    HG   LEU   6           HG       LEU   6  -3.054  -8.682   6.225
   63   HD11  LEU   6          1HD1      LEU   6  -0.860  -9.052   5.064
   64   HD12  LEU   6          2HD1      LEU   6  -1.884  -7.911   4.162
   65   HD13  LEU   6          3HD1      LEU   6  -0.537  -7.304   5.153
   66   HD21  LEU   6          1HD2      LEU   6  -1.030  -9.176   7.551
   67   HD22  LEU   6          2HD2      LEU   6  -0.716  -7.429   7.690
   68   HD23  LEU   6          3HD2      LEU   6  -2.180  -8.131   8.418
   69    H    VAL   7           H        VAL   7  -6.005  -6.284   6.296
   70    HA   VAL   7           HA       VAL   7  -6.909  -8.729   5.121
   71    HB   VAL   7           HB       VAL   7  -8.369  -6.561   6.701
   72   HG11  VAL   7          1HG1      VAL   7 -10.128  -8.270   7.017
   73   HG12  VAL   7          2HG1      VAL   7  -9.915  -7.879   5.294
   74   HG13  VAL   7          3HG1      VAL   7  -9.235  -9.385   5.956
   75   HG21  VAL   7          1HG2      VAL   7  -8.219  -8.125   8.574
   76   HG22  VAL   7          2HG2      VAL   7  -7.258  -9.235   7.568
   77   HG23  VAL   7          3HG2      VAL   7  -6.615  -7.629   7.988
   78    HA   PRO   8           HA       PRO   8  -7.904  -6.732   1.479
   79    HB2  PRO   8          1HB       PRO   8  -8.613  -8.878  -0.058
   80    HB3  PRO   8          2HB       PRO   8  -6.925  -8.609   0.400
   81    HG2  PRO   8          1HG       PRO   8  -9.003 -10.379   1.731
   82    HG3  PRO   8          2HG       PRO   8  -7.317 -10.745   1.343
   83    HD2  PRO   8          1HD       PRO   8  -8.047 -10.009   3.870
   84    HD3  PRO   8          2HD       PRO   8  -6.482  -9.526   3.206
   85    H    ILE   9           H        ILE   9 -10.177  -7.933   3.518
   86    HA   ILE   9           HA       ILE   9 -12.312  -7.018   1.720
   87    HB   ILE   9           HB       ILE   9 -13.838  -8.339   3.215
   88   HG12  ILE   9          1HG1      ILE   9 -11.332  -9.437   4.452
   89   HG13  ILE   9          2HG1      ILE   9 -12.318  -8.146   5.178
   90   HG21  ILE   9          1HG2      ILE   9 -13.133 -10.583   2.454
   91   HG22  ILE   9          2HG2      ILE   9 -12.937  -9.378   1.161
   92   HG23  ILE   9          3HG2      ILE   9 -11.516  -9.945   2.070
   93   HD11  ILE   9          1HD1      ILE   9 -12.872 -10.340   6.151
   94   HD12  ILE   9          2HD1      ILE   9 -14.255  -9.667   5.255
   95   HD13  ILE   9          3HD1      ILE   9 -13.269 -10.958   4.531
   96    H    ALA  10           H        ALA  10 -10.351  -5.513   3.568
   97    HA   ALA  10           HA       ALA  10 -12.462  -3.903   4.752
   98    HB1  ALA  10          1HB       ALA  10 -11.416  -5.608   6.437
   99    HB2  ALA  10          2HB       ALA  10  -9.995  -4.535   6.379
  100    HB3  ALA  10          3HB       ALA  10 -11.567  -3.902   6.920
  101    H    TYR  11           H        TYR  11 -12.093  -1.739   4.427
  102    HA   TYR  11           HA       TYR  11  -9.421  -1.049   3.398
  103    HB2  TYR  11          1HB       TYR  11 -10.504   0.613   2.021
  104    HB3  TYR  11          2HB       TYR  11 -11.104  -1.025   1.663
  105    HD1  TYR  11          1HD       TYR  11 -11.969   2.280   3.021
  106    HD2  TYR  11          2HD       TYR  11 -13.398  -1.661   2.236
  107    HE1  TYR  11          1HE       TYR  11 -14.294   3.060   3.374
  108    HE2  TYR  11          2HE       TYR  11 -15.723  -0.898   2.585
  109    HH   TYR  11           HH       TYR  11 -17.085   0.858   3.084
  110    H    LYS  12           H        LYS  12  -8.687   1.173   3.835
  111    HA   LYS  12           HA       LYS  12 -10.129   2.401   6.083
  112    HB2  LYS  12          1HB       LYS  12  -7.201   2.420   5.312
  113    HB3  LYS  12          2HB       LYS  12  -7.907   3.526   6.514
  114    HG2  LYS  12          1HG       LYS  12  -8.593   1.567   7.874
  115    HG3  LYS  12          2HG       LYS  12  -7.805   0.495   6.691
  116    HD2  LYS  12          1HD       LYS  12  -5.642   1.456   7.167
  117    HD3  LYS  12          2HD       LYS  12  -6.375   2.703   8.205
  118    HE2  LYS  12          1HE       LYS  12  -7.180   0.921   9.727
  119    HE3  LYS  12          2HE       LYS  12  -6.361  -0.289   8.713
  120    HZ1  LYS  12          1HZ       LYS  12  -5.027   0.330  10.612
  121    HZ2  LYS  12          2HZ       LYS  12  -4.276   0.796   9.218
  122    H    THR  13           H        THR  13 -10.470   4.684   6.015
  123    HA   THR  13           HA       THR  13 -10.505   5.821   3.376
  124    HB   THR  13           HB       THR  13 -11.018   7.073   6.120
  125    HG1  THR  13          1HG       THR  13 -13.236   6.740   5.502
  126   HG21  THR  13          1HG2      THR  13 -12.221   8.807   4.838
  127   HG22  THR  13          2HG2      THR  13 -10.507   8.732   4.361
  128   HG23  THR  13          3HG2      THR  13 -11.753   8.008   3.318
  129    H    CYS  14           H        CYS  14  -9.136   7.266   2.442
  130    HA   CYS  14           HA       CYS  14  -6.513   7.215   3.483
  131    HB2  CYS  14          1HB       CYS  14  -7.746   8.659   1.136
  132    HB3  CYS  14          2HB       CYS  14  -6.038   8.738   1.524
  133    HA   PRO  15           HA       PRO  15  -6.619  11.103   5.576
  134    HB2  PRO  15          1HB       PRO  15  -4.015  11.785   5.727
  135    HB3  PRO  15          2HB       PRO  15  -4.604  10.408   6.668
  136    HG2  PRO  15          1HG       PRO  15  -3.233  10.417   3.958
  137    HG3  PRO  15          2HG       PRO  15  -2.916   9.385   5.358
  138    HD2  PRO  15          1HD       PRO  15  -4.484   8.555   3.238
  139    HD3  PRO  15          2HD       PRO  15  -4.736   7.959   4.884
  140    H    GLU  16           H        GLU  16  -6.482  13.399   5.313
  141    HA   GLU  16           HA       GLU  16  -7.042  14.117   2.720
  142    HB2  GLU  16          1HB       GLU  16  -7.703  15.381   4.707
  143    HB3  GLU  16          2HB       GLU  16  -5.999  15.788   5.027
  144    HG2  GLU  16          1HG       GLU  16  -5.962  17.143   2.877
  145    HG3  GLU  16          2HG       GLU  16  -7.640  16.596   2.662
  146    HE2  GLU  16           HE       GLU  16  -7.696  19.824   4.338
  147    H    GLY  17           H        GLY  17  -5.817  14.755   0.960
  148    HA2  GLY  17          1HA       GLY  17  -4.003  15.855  -0.010
  149    HA3  GLY  17          2HA       GLY  17  -3.040  15.570   1.426
  150    H    LYS  18           H        LYS  18  -4.189  12.654   1.445
  151    HA   LYS  18           HA       LYS  18  -2.174  11.616  -0.373
  152    HB2  LYS  18          1HB       LYS  18  -3.858  10.484   1.865
  153    HB3  LYS  18          2HB       LYS  18  -2.960   9.427   0.751
  154    HG2  LYS  18          1HG       LYS  18  -1.751   9.851   2.887
  155    HG3  LYS  18          2HG       LYS  18  -0.852  10.386   1.448
  156    HD2  LYS  18          1HD       LYS  18  -1.634  12.698   1.829
  157    HD3  LYS  18          2HD       LYS  18  -2.505  12.154   3.284
  158    HE2  LYS  18          1HE       LYS  18  -0.376  11.426   4.282
  159    HE3  LYS  18          2HE       LYS  18   0.491  11.983   2.833
  160    HZ1  LYS  18          1HZ       LYS  18   0.578  13.605   4.602
  161    HZ2  LYS  18          2HZ       LYS  18  -0.264  14.212   3.319
  162    H    ASN  19           H        ASN  19  -2.679   9.887  -1.912
  163    HA   ASN  19           HA       ASN  19  -5.436  10.074  -2.801
  164    HB2  ASN  19          1HB       ASN  19  -4.030  11.859  -4.145
  165    HB3  ASN  19          2HB       ASN  19  -3.083  10.371  -4.388
  166   HD21  ASN  19          1HD2      ASN  19  -6.289  11.251  -6.696
  167   HD22  ASN  19          2HD2      ASN  19  -5.787  12.249  -5.372
  168    H    LEU  20           H        LEU  20  -2.132   8.605  -3.098
  169    HA   LEU  20           HA       LEU  20  -3.172   6.546  -4.839
  170    HB2  LEU  20          1HB       LEU  20  -0.509   7.019  -3.645
  171    HB3  LEU  20          2HB       LEU  20  -0.729   5.916  -5.024
  172    HG   LEU  20           HG       LEU  20  -1.044   8.943  -5.019
  173   HD11  LEU  20          1HD1      LEU  20   0.854   8.853  -6.658
  174   HD12  LEU  20          2HD1      LEU  20   1.314   8.136  -5.097
  175   HD13  LEU  20          3HD1      LEU  20   0.909   7.086  -6.475
  176   HD21  LEU  20          1HD2      LEU  20  -1.515   8.728  -7.435
  177   HD22  LEU  20          2HD2      LEU  20  -1.509   6.955  -7.260
  178   HD23  LEU  20          3HD2      LEU  20  -2.741   7.929  -6.423
  179    H    CYS  21           H        CYS  21  -2.831   4.235  -4.411
  180    HA   CYS  21           HA       CYS  21  -2.823   3.695  -1.536
  181    HB2  CYS  21          1HB       CYS  21  -3.920   2.041  -3.816
  182    HB3  CYS  21          2HB       CYS  21  -3.896   1.544  -2.137
  183    H    TYR  22           H        TYR  22  -1.172   2.396  -0.698
  184    HA   TYR  22           HA       TYR  22   0.772   1.414  -2.679
  185    HB2  TYR  22          1HB       TYR  22   2.529   2.148  -1.360
  186    HB3  TYR  22          2HB       TYR  22   1.370   3.500  -1.379
  187    HD1  TYR  22          1HD       TYR  22   2.862   0.829   0.689
  188    HD2  TYR  22          2HD       TYR  22   0.212   4.170   0.643
  189    HE1  TYR  22          1HE       TYR  22   2.838   0.835   3.166
  190    HE2  TYR  22          2HE       TYR  22   0.177   4.190   3.114
  191    HH   TYR  22           HH       TYR  22   0.939   3.214   5.026
  192    H    LYS  23           H        LYS  23   1.865  -0.558  -2.192
  193    HA   LYS  23           HA       LYS  23   1.098  -1.816   0.337
  194    HB2  LYS  23          1HB       LYS  23   1.013  -3.985  -0.823
  195    HB3  LYS  23          2HB       LYS  23  -0.253  -2.864  -1.374
  196    HG2  LYS  23          1HG       LYS  23   0.981  -2.395  -3.410
  197    HG3  LYS  23          2HG       LYS  23   2.352  -3.379  -2.844
  198    HD2  LYS  23          1HD       LYS  23   0.878  -4.539  -4.510
  199    HD3  LYS  23          2HD       LYS  23   1.048  -5.395  -2.958
  200    HE2  LYS  23          1HE       LYS  23  -1.101  -4.549  -2.209
  201    HE3  LYS  23          2HE       LYS  23  -1.264  -3.573  -3.688
  202    HZ1  LYS  23          1HZ       LYS  23  -2.524  -5.613  -3.825
  203    HZ2  LYS  23          2HZ       LYS  23  -1.319  -5.615  -4.952
  204    H    MET  24           H        MET  24   2.753  -3.011   1.341
  205    HA   MET  24           HA       MET  24   5.345  -2.531   0.091
  206    HB2  MET  24          1HB       MET  24   4.549  -2.780   2.999
  207    HB3  MET  24          2HB       MET  24   6.221  -2.590   2.417
  208    HG2  MET  24          1HG       MET  24   5.466  -0.417   1.347
  209    HG3  MET  24          2HG       MET  24   3.946  -0.597   2.256
  210    HE1  MET  24          1HE       MET  24   5.065  -0.268   5.960
  211    HE2  MET  24          2HE       MET  24   3.696  -0.313   4.821
  212    HE3  MET  24          3HE       MET  24   4.736  -1.745   5.021
  213    H    PHE  25           H        PHE  25   6.802  -4.240  -0.160
  214    HA   PHE  25           HA       PHE  25   5.892  -6.820   0.905
  215    HB2  PHE  25          1HB       PHE  25   7.705  -6.040  -1.458
  216    HB3  PHE  25          2HB       PHE  25   7.343  -7.696  -1.014
  217    HD1  PHE  25          1HD       PHE  25   5.356  -8.735  -1.723
  218    HD2  PHE  25          2HD       PHE  25   5.842  -4.562  -2.282
  219    HE1  PHE  25          1HE       PHE  25   3.315  -8.693  -3.206
  220    HE2  PHE  25          2HE       PHE  25   3.814  -4.517  -3.759
  221    HZ   PHE  25           HZ       PHE  25   2.574  -6.582  -4.203
  222    H    MET  26           H        MET  26   7.730  -8.376   1.466
  223    HA   MET  26           HA       MET  26  10.191  -6.907   2.028
  224    HB2  MET  26          1HB       MET  26   9.036  -9.389   3.317
  225    HB3  MET  26          2HB       MET  26  10.662  -8.747   3.653
  226    HG2  MET  26          1HG       MET  26   9.676  -6.677   4.515
  227    HG3  MET  26          2HG       MET  26   8.046  -7.294   4.157
  228    HE1  MET  26          1HE       MET  26   8.169  -7.375   8.097
  229    HE2  MET  26          2HE       MET  26   8.915  -6.163   7.026
  230    HE3  MET  26          3HE       MET  26   7.288  -6.792   6.665
  231    H    MET  27           H        MET  27  12.204  -7.866   1.381
  232    HA   MET  27           HA       MET  27  12.154  -8.885  -1.103
  233    HB2  MET  27          1HB       MET  27  14.174  -9.064   1.121
  234    HB3  MET  27          2HB       MET  27  14.518  -9.736  -0.491
  235    HG2  MET  27          1HG       MET  27  13.839  -6.844   0.131
  236    HG3  MET  27          2HG       MET  27  15.465  -7.480  -0.215
  237    HE1  MET  27          1HE       MET  27  15.259  -8.467  -3.970
  238    HE2  MET  27          2HE       MET  27  16.315  -8.222  -2.557
  239    HE3  MET  27          3HE       MET  27  15.085  -9.510  -2.537
  240    H    SER  28           H        SER  28  11.942 -10.668   1.982
  241    HA   SER  28           HA       SER  28  12.241 -13.216   0.966
  242    HB2  SER  28          1HB       SER  28  12.155 -12.719   3.342
  243    HB3  SER  28          2HB       SER  28  10.474 -12.159   3.195
  244    HG   SER  28           HG       SER  28  10.631 -14.304   3.982
  245    H    ASP  29           H        ASP  29   9.055 -11.710   1.884
  246    HA   ASP  29           HA       ASP  29   7.820 -13.515   0.020
  247    HB2  ASP  29          1HB       ASP  29   6.935 -13.211   2.412
  248    HB3  ASP  29          2HB       ASP  29   6.655 -11.538   1.869
  249    HD2  ASP  29           HD       ASP  29   3.570 -13.462   1.404
  250    H    LEU  30           H        LEU  30   8.528 -12.410  -1.993
  251    HA   LEU  30           HA       LEU  30   7.648  -9.719  -2.445
  252    HB2  LEU  30          1HB       LEU  30   8.984 -11.900  -3.800
  253    HB3  LEU  30          2HB       LEU  30   8.238 -10.765  -4.950
  254    HG   LEU  30           HG       LEU  30   9.865  -9.234  -4.659
  255   HD11  LEU  30          1HD1      LEU  30  10.729  -8.562  -2.401
  256   HD12  LEU  30          2HD1      LEU  30   8.951  -8.622  -2.421
  257   HD13  LEU  30          3HD1      LEU  30   9.879  -9.948  -1.679
  258   HD21  LEU  30          1HD2      LEU  30  12.042 -10.095  -3.869
  259   HD22  LEU  30          2HD2      LEU  30  11.213 -11.512  -3.182
  260   HD23  LEU  30          3HD2      LEU  30  11.198 -11.239  -4.940
  261    H    THR  31           H        THR  31   6.212 -12.863  -2.445
  262    HA   THR  31           HA       THR  31   4.517 -12.485  -4.711
  263    HB   THR  31           HB       THR  31   4.352 -14.433  -2.357
  264    HG1  THR  31          1HG       THR  31   5.308 -15.871  -3.915
  265   HG21  THR  31          1HG2      THR  31   2.914 -15.771  -3.854
  266   HG22  THR  31          2HG2      THR  31   2.196 -14.174  -3.536
  267   HG23  THR  31          3HG2      THR  31   3.006 -14.491  -5.087
  268    H    ILE  32           H        ILE  32   4.142 -12.107  -1.149
  269    HA   ILE  32           HA       ILE  32   1.548 -10.859  -1.725
  270    HB   ILE  32           HB       ILE  32   2.298 -12.763   0.541
  271   HG12  ILE  32          1HG1      ILE  32   1.695 -13.831  -1.532
  272   HG13  ILE  32          2HG1      ILE  32   0.499 -14.118  -0.248
  273   HG21  ILE  32          1HG2      ILE  32   0.027 -12.342   1.421
  274   HG22  ILE  32          2HG2      ILE  32   0.998 -10.852   1.418
  275   HG23  ILE  32          3HG2      ILE  32  -0.234 -11.112   0.161
  276   HD11  ILE  32          1HD1      ILE  32  -0.601 -13.714  -2.415
  277   HD12  ILE  32          2HD1      ILE  32  -0.984 -12.423  -1.250
  278   HD13  ILE  32          3HD1      ILE  32   0.213 -12.138  -2.535
  279    HA   PRO  33           HA       PRO  33   3.451  -7.592   0.438
  280    HB2  PRO  33          1HB       PRO  33   1.415  -5.785   0.395
  281    HB3  PRO  33          2HB       PRO  33   2.360  -6.103  -1.066
  282    HG2  PRO  33          1HG       PRO  33  -0.300  -7.297  -0.216
  283    HG3  PRO  33          2HG       PRO  33   0.182  -6.672  -1.799
  284    HD2  PRO  33          1HD       PRO  33   0.212  -9.362  -1.253
  285    HD3  PRO  33          2HD       PRO  33   1.388  -8.637  -2.357
  286    H    VAL  34           H        VAL  34   3.252  -6.297   2.459
  287    HA   VAL  34           HA       VAL  34   2.024  -8.216   4.317
  288    HB   VAL  34           HB       VAL  34   3.899  -7.692   5.850
  289   HG11  VAL  34          1HG1      VAL  34   5.724  -8.765   4.573
  290   HG12  VAL  34          2HG1      VAL  34   4.168  -9.569   4.262
  291   HG13  VAL  34          3HG1      VAL  34   4.850  -8.450   3.056
  292   HG21  VAL  34          1HG2      VAL  34   5.803  -6.356   5.102
  293   HG22  VAL  34          2HG2      VAL  34   4.930  -5.955   3.602
  294   HG23  VAL  34          3HG2      VAL  34   4.303  -5.401   5.174
  295    H    LYS  35           H        LYS  35   2.353  -4.894   3.262
  296    HA   LYS  35           HA       LYS  35   0.419  -4.144   5.289
  297    HB2  LYS  35          1HB       LYS  35   3.161  -2.901   5.038
  298    HB3  LYS  35          2HB       LYS  35   1.801  -2.003   5.684
  299    HG2  LYS  35          1HG       LYS  35   1.442  -4.075   7.254
  300    HG3  LYS  35          2HG       LYS  35   3.068  -4.538   6.786
  301    HD2  LYS  35          1HD       LYS  35   3.423  -3.259   8.743
  302    HD3  LYS  35          2HD       LYS  35   3.758  -2.112   7.460
  303    HE2  LYS  35          1HE       LYS  35   1.527  -1.118   7.670
  304    HE3  LYS  35          2HE       LYS  35   1.021  -2.367   8.788
  305    HZ1  LYS  35          1HZ       LYS  35   3.338  -0.702   9.404
  306    HZ2  LYS  35          2HZ       LYS  35   1.828  -0.161   9.709
  307    H    ARG  36           H        ARG  36  -0.966  -2.461   4.608
  308    HA   ARG  36           HA       ARG  36  -0.335  -1.279   2.058
  309    HB2  ARG  36          1HB       ARG  36  -2.825  -2.865   2.525
  310    HB3  ARG  36          2HB       ARG  36  -2.583  -1.728   1.177
  311    HG2  ARG  36          1HG       ARG  36  -1.895  -3.565   0.061
  312    HG3  ARG  36          2HG       ARG  36  -0.368  -3.286   0.934
  313    HD2  ARG  36          1HD       ARG  36  -0.951  -5.581   1.050
  314    HD3  ARG  36          2HD       ARG  36  -1.118  -4.845   2.661
  315    HE   ARG  36           HE       ARG  36  -3.552  -5.313   2.500
  316   HH11  ARG  36          1HH       ARG  36  -3.310  -6.892  -1.101
  317   HH21  ARG  36          1HH2      ARG  36  -5.181  -6.314   1.891
  318   HH22  ARG  36          2HH2      ARG  36  -5.212  -7.074   0.312
  319    H    GLY  37           H        GLY  37  -1.442   0.767   1.718
  320    HA2  GLY  37          1HA       GLY  37  -3.442   1.729   3.494
  321    HA3  GLY  37          2HA       GLY  37  -1.856   2.286   3.995
  322    H    CYS  38           H        CYS  38  -2.807   4.472   3.458
  323    HA   CYS  38           HA       CYS  38  -2.905   4.939   0.579
  324    HB2  CYS  38          1HB       CYS  38  -3.782   6.748   2.835
  325    HB3  CYS  38          2HB       CYS  38  -3.991   7.050   1.123
  326    H    ILE  39           H        ILE  39  -1.607   6.729  -0.314
  327    HA   ILE  39           HA       ILE  39  -0.067   8.316   1.490
  328    HB   ILE  39           HB       ILE  39   1.390   6.240   1.169
  329   HG12  ILE  39          1HG1      ILE  39   2.667   8.632  -0.090
  330   HG13  ILE  39          2HG1      ILE  39   2.127   8.651   1.605
  331   HG21  ILE  39          1HG2      ILE  39   2.506   5.990  -1.022
  332   HG22  ILE  39          2HG2      ILE  39   0.748   5.766  -1.170
  333   HG23  ILE  39          3HG2      ILE  39   1.495   7.295  -1.687
  334   HD11  ILE  39          1HD1      ILE  39   4.518   8.082   1.440
  335   HD12  ILE  39          2HD1      ILE  39   3.577   6.719   2.090
  336   HD13  ILE  39          3HD1      ILE  39   4.118   6.700   0.396
  337    H    ASP  40           H        ASP  40   1.125  10.063   0.256
  338    HA   ASP  40           HA       ASP  40  -0.613  10.828  -1.895
  339    HB2  ASP  40          1HB       ASP  40   0.549  13.096  -1.614
  340    HB3  ASP  40          2HB       ASP  40  -0.307  12.326  -0.255
  341    HD2  ASP  40           HD       ASP  40   3.072  13.506   0.758
  342    H    VAL  41           H        VAL  41   2.928  10.408  -1.174
  343    HA   VAL  41           HA       VAL  41   3.407  10.346  -4.074
  344    HB   VAL  41           HB       VAL  41   5.289  11.153  -1.805
  345   HG11  VAL  41          1HG1      VAL  41   6.861  11.739  -3.621
  346   HG12  VAL  41          2HG1      VAL  41   6.463  10.005  -3.652
  347   HG13  VAL  41          3HG1      VAL  41   5.707  11.113  -4.821
  348   HG21  VAL  41          1HG2      VAL  41   5.214  13.382  -2.802
  349   HG22  VAL  41          2HG2      VAL  41   4.000  12.815  -3.975
  350   HG23  VAL  41          3HG2      VAL  41   3.613  12.849  -2.238
  351    H    CYS  42           H        CYS  42   4.196   8.472  -4.916
  352    HA   CYS  42           HA       CYS  42   4.248   6.224  -3.220
  353    HB2  CYS  42          1HB       CYS  42   3.477   6.129  -5.532
  354    HB3  CYS  42          2HB       CYS  42   5.082   6.529  -6.111
  355    HA   PRO  43           HA       PRO  43   8.478   6.741  -2.120
  356    HB2  PRO  43          1HB       PRO  43   8.727   4.651  -0.387
  357    HB3  PRO  43          2HB       PRO  43   7.891   6.133   0.101
  358    HG2  PRO  43          1HG       PRO  43   6.722   3.543  -0.963
  359    HG3  PRO  43          2HG       PRO  43   6.165   4.545   0.384
  360    HD2  PRO  43          1HD       PRO  43   4.989   4.687  -2.095
  361    HD3  PRO  43          2HD       PRO  43   5.095   6.105  -1.044
  362    H    LYS  44           H        LYS  44  10.477   6.102  -2.828
  363    HA   LYS  44           HA       LYS  44  10.365   4.245  -4.965
  364    HB2  LYS  44          1HB       LYS  44  12.656   5.556  -3.472
  365    HB3  LYS  44          2HB       LYS  44  12.857   4.554  -4.929
  366    HG2  LYS  44          1HG       LYS  44  11.512   6.154  -6.222
  367    HG3  LYS  44          2HG       LYS  44  11.290   7.151  -4.766
  368    HD2  LYS  44          1HD       LYS  44  13.701   7.543  -4.636
  369    HD3  LYS  44          2HD       LYS  44  13.963   6.493  -6.050
  370    HE2  LYS  44          1HE       LYS  44  12.627   8.020  -7.436
  371    HE3  LYS  44          2HE       LYS  44  12.356   9.067  -6.024
  372    HZ1  LYS  44          1HZ       LYS  44  14.139   9.884  -7.410
  373    HZ2  LYS  44          2HZ       LYS  44  14.727   9.446  -5.932
  374    H    ASN  45           H        ASN  45  11.867   2.307  -5.113
  375    HA   ASN  45           HA       ASN  45  11.034   0.625  -3.021
  376    HB2  ASN  45          1HB       ASN  45  12.798  -0.148  -5.460
  377    HB3  ASN  45          2HB       ASN  45  12.154  -1.000  -4.035
  378   HD21  ASN  45          1HD2      ASN  45   9.945  -1.079  -7.170
  379   HD22  ASN  45          2HD2      ASN  45  11.670  -1.133  -7.019
  380    H    SER  46           H        SER  46  12.386  -0.483  -1.448
  381    HA   SER  46           HA       SER  46  15.061   0.656  -1.230
  382    HB2  SER  46          1HB       SER  46  14.915   0.203   1.153
  383    HB3  SER  46          2HB       SER  46  13.500   1.144   0.629
  384    HG   SER  46           HG       SER  46  12.318  -0.804   0.610
  385    H    LEU  47           H        LEU  47  16.467  -1.064   0.264
  386    HA   LEU  47           HA       LEU  47  16.746  -3.273  -1.530
  387    HB2  LEU  47          1HB       LEU  47  18.019  -2.429   0.997
  388    HB3  LEU  47          2HB       LEU  47  18.697  -3.813   0.107
  389    HG   LEU  47           HG       LEU  47  18.550  -0.929  -0.858
  390   HD11  LEU  47          1HD1      LEU  47  21.054  -1.046  -0.745
  391   HD12  LEU  47          2HD1      LEU  47  20.321  -1.331   0.850
  392   HD13  LEU  47          3HD1      LEU  47  20.932  -2.702  -0.106
  393   HD21  LEU  47          1HD2      LEU  47  19.834  -1.724  -2.813
  394   HD22  LEU  47          2HD2      LEU  47  19.682  -3.393  -2.214
  395   HD23  LEU  47          3HD2      LEU  47  18.229  -2.483  -2.691
  396    H    LEU  48           H        LEU  48  15.173  -2.638   1.548
  397    HA   LEU  48           HA       LEU  48  15.254  -5.469   2.242
  398    HB2  LEU  48          1HB       LEU  48  14.342  -3.001   3.583
  399    HB3  LEU  48          2HB       LEU  48  14.242  -4.554   4.443
  400    HG   LEU  48           HG       LEU  48  16.770  -3.123   3.536
  401   HD11  LEU  48          1HD1      LEU  48  17.243  -2.994   5.996
  402   HD12  LEU  48          2HD1      LEU  48  15.722  -2.166   5.587
  403   HD13  LEU  48          3HD1      LEU  48  15.684  -3.787   6.322
  404   HD21  LEU  48          1HD2      LEU  48  17.992  -4.958   4.651
  405   HD22  LEU  48          2HD2      LEU  48  16.444  -5.787   4.944
  406   HD23  LEU  48          3HD2      LEU  48  17.010  -5.522   3.278
  407    H    VAL  49           H        VAL  49  12.955  -2.750   1.622
  408    HA   VAL  49           HA       VAL  49  10.874  -4.793   1.276
  409    HB   VAL  49           HB       VAL  49   9.250  -3.048   2.108
  410   HG11  VAL  49          1HG1      VAL  49   9.801  -3.312   4.503
  411   HG12  VAL  49          2HG1      VAL  49  10.061  -4.832   3.615
  412   HG13  VAL  49          3HG1      VAL  49  11.451  -3.816   4.069
  413   HG21  VAL  49          1HG2      VAL  49  10.100  -1.140   3.373
  414   HG22  VAL  49          2HG2      VAL  49  11.762  -1.566   2.899
  415   HG23  VAL  49          3HG2      VAL  49  10.580  -1.073   1.662
  416    H    LYS  50           H        LYS  50   9.357  -4.403  -0.414
  417    HA   LYS  50           HA       LYS  50  10.314  -2.391  -2.321
  418    HB2  LYS  50          1HB       LYS  50  10.364  -4.701  -3.110
  419    HB3  LYS  50          2HB       LYS  50   8.654  -4.909  -2.662
  420    HG2  LYS  50          1HG       LYS  50   8.023  -3.212  -4.349
  421    HG3  LYS  50          2HG       LYS  50   9.734  -3.059  -4.816
  422    HD2  LYS  50          1HD       LYS  50   9.782  -5.416  -5.482
  423    HD3  LYS  50          2HD       LYS  50   8.087  -5.606  -4.974
  424    HE2  LYS  50          1HE       LYS  50   7.423  -3.899  -6.642
  425    HE3  LYS  50          2HE       LYS  50   9.116  -3.793  -7.178
  426    HZ1  LYS  50          1HZ       LYS  50   7.827  -5.249  -8.587
  427    HZ2  LYS  50          2HZ       LYS  50   8.996  -6.110  -7.804
  428    H    TYR  51           H        TYR  51   8.829  -0.956  -3.323
  429    HA   TYR  51           HA       TYR  51   6.287  -0.758  -1.849
  430    HB2  TYR  51          1HB       TYR  51   8.079   1.388  -2.990
  431    HB3  TYR  51          2HB       TYR  51   6.457   1.664  -2.310
  432    HD1  TYR  51          1HD       TYR  51   9.967   0.902  -1.534
  433    HD2  TYR  51          2HD       TYR  51   6.071   1.473   0.102
  434    HE1  TYR  51          1HE       TYR  51  10.956   1.105   0.729
  435    HE2  TYR  51          2HE       TYR  51   7.040   1.676   2.367
  436    HH   TYR  51           HH       TYR  51   8.942   1.665   3.619
  437    H    VAL  52           H        VAL  52   4.458  -0.946  -3.053
  438    HA   VAL  52           HA       VAL  52   4.661  -0.132  -5.867
  439    HB   VAL  52           HB       VAL  52   2.949  -2.371  -4.691
  440   HG11  VAL  52          1HG1      VAL  52   2.308  -2.794  -7.041
  441   HG12  VAL  52          2HG1      VAL  52   1.827  -1.158  -6.530
  442   HG13  VAL  52          3HG1      VAL  52   3.264  -1.385  -7.556
  443   HG21  VAL  52          1HG2      VAL  52   4.302  -3.869  -6.067
  444   HG22  VAL  52          2HG2      VAL  52   5.330  -2.498  -6.546
  445   HG23  VAL  52          3HG2      VAL  52   5.277  -3.020  -4.846
  446    H    CYS  53           H        CYS  53   3.201   1.400  -6.511
  447    HA   CYS  53           HA       CYS  53   1.027   1.948  -4.621
  448    HB2  CYS  53          1HB       CYS  53   2.374   4.009  -6.366
  449    HB3  CYS  53          2HB       CYS  53   1.185   4.282  -5.108
  450    H    CYS  54           H        CYS  54  -0.975   2.802  -5.700
  451    HA   CYS  54           HA       CYS  54  -1.019   2.708  -8.570
  452    HB2  CYS  54          1HB       CYS  54  -3.042   1.182  -8.555
  453    HB3  CYS  54          2HB       CYS  54  -1.467   0.439  -8.363
  454    H    ASN  55           H        ASN  55  -3.107   3.737  -9.372
  455    HA   ASN  55           HA       ASN  55  -3.487   5.820  -7.385
  456    HB2  ASN  55          1HB       ASN  55  -3.501   7.454  -9.334
  457    HB3  ASN  55          2HB       ASN  55  -2.245   6.203  -9.174
  458   HD21  ASN  55          1HD2      ASN  55  -3.406   6.557 -12.717
  459   HD22  ASN  55          2HD2      ASN  55  -2.874   7.684 -11.513
  460    H    THR  56           H        THR  56  -5.185   3.373  -7.578
  461    HA   THR  56           HA       THR  56  -7.723   4.786  -7.969
  462    HB   THR  56           HB       THR  56  -8.710   2.644  -8.829
  463    HG1  THR  56          1HG       THR  56  -7.192   1.038  -9.558
  464   HG21  THR  56          1HG2      THR  56  -7.768   2.773 -11.108
  465   HG22  THR  56          2HG2      THR  56  -8.014   4.398 -10.424
  466   HG23  THR  56          3HG2      THR  56  -6.380   3.695 -10.483
  467    H    ASP  57           H        ASP  57  -9.569   3.331  -6.948
  468    HA   ASP  57           HA       ASP  57  -8.725   3.364  -4.240
  469    HB2  ASP  57          1HB       ASP  57 -11.480   2.935  -5.523
  470    HB3  ASP  57          2HB       ASP  57 -11.037   2.815  -3.803
  471    HD2  ASP  57           HD       ASP  57 -11.554   6.386  -5.279
  472    H    ARG  58           H        ARG  58  -8.539   1.533  -2.839
  473    HA   ARG  58           HA       ARG  58  -8.339  -0.534  -2.228
  474    HB2  ARG  58          1HB       ARG  58 -10.811  -0.928  -3.867
  475    HB3  ARG  58          2HB       ARG  58 -10.158  -2.084  -2.684
  476    HG2  ARG  58          1HG       ARG  58 -10.359  -0.219  -0.961
  477    HG3  ARG  58          2HG       ARG  58 -11.313   0.665  -2.176
  478    HD2  ARG  58          1HD       ARG  58 -12.762  -0.415  -0.638
  479    HD3  ARG  58          2HD       ARG  58 -12.895  -1.193  -2.233
  480    HE   ARG  58           HE       ARG  58 -11.131  -2.747  -0.464
  481   HH11  ARG  58          1HH       ARG  58 -14.978  -3.603  -0.511
  482   HH21  ARG  58          1HH2      ARG  58 -11.618  -4.556   0.259
  483   HH22  ARG  58          2HH2      ARG  58 -13.293  -5.072   0.293
  484    H    CYS  59           H        CYS  59  -6.754   0.196  -4.535
  485    HA   CYS  59           HA       CYS  59  -7.035  -1.942  -6.441
  486    HB2  CYS  59          1HB       CYS  59  -5.139  -0.846  -7.580
  487    HB3  CYS  59          2HB       CYS  59  -6.526   0.198  -7.342
  488    H    ASN  60           H        ASN  60  -5.148  -1.017  -3.583
  489    HA   ASN  60           HA       ASN  60  -3.202  -3.072  -4.149
  490    HB2  ASN  60          1HB       ASN  60  -1.962  -2.123  -2.235
  491    HB3  ASN  60          2HB       ASN  60  -2.450  -0.822  -3.305
  492   HD21  ASN  60          1HD2      ASN  60  -1.816  -0.049  -0.906
  493   HD22  ASN  60          2HD2      ASN  60  -3.180   0.344   0.086
  Start of MODEL   12
    1    H1   MET   0          1H        MET   0 -11.536  11.505   2.261
    2    H2   MET   0          2H        MET   0 -12.186  12.097   1.045
    3    H    MET   0           H        MET   0 -12.354  10.591   1.343
    4    H3   MET   0          3H        MET   0 -12.405  10.653   1.385
    5    HA   MET   0           HA       MET   0 -10.436  11.669  -0.308
    6    HB2  MET   0          1HB       MET   0  -9.463  10.581   2.314
    7    HB3  MET   0          2HB       MET   0  -8.468  10.384   0.851
    8    HG2  MET   0          1HG       MET   0  -7.702  12.338   2.026
    9    HG3  MET   0          2HG       MET   0  -8.533  12.856   0.541
   10    HE1  MET   0          1HE       MET   0 -10.257  13.215   4.827
   11    HE2  MET   0          2HE       MET   0  -9.975  11.645   4.037
   12    HE3  MET   0          3HE       MET   0  -8.597  12.697   4.445
   13    H    LEU   1           H        LEU   1  -8.683   9.517  -0.726
   14    HA   LEU   1           HA       LEU   1 -10.461   7.816  -2.098
   15    HB2  LEU   1          1HB       LEU   1  -7.492   7.941  -1.696
   16    HB3  LEU   1          2HB       LEU   1  -8.217   6.545  -2.471
   17    HG   LEU   1           HG       LEU   1  -7.354   8.766  -3.771
   18   HD11  LEU   1          1HD1      LEU   1  -7.979   6.512  -4.679
   19   HD12  LEU   1          2HD1      LEU   1  -9.664   7.077  -4.751
   20   HD13  LEU   1          3HD1      LEU   1  -8.411   7.889  -5.720
   21   HD21  LEU   1          1HD2      LEU   1  -8.935  10.320  -2.972
   22   HD22  LEU   1          2HD2      LEU   1  -9.472   9.892  -4.615
   23   HD23  LEU   1          3HD2      LEU   1 -10.288   9.186  -3.201
   24    H    LYS   2           H        LYS   2  -9.964   5.269  -1.935
   25    HA   LYS   2           HA       LYS   2  -9.851   4.560   0.908
   26    HB2  LYS   2          1HB       LYS   2 -11.534   2.786   0.385
   27    HB3  LYS   2          2HB       LYS   2 -12.164   4.450   0.334
   28    HG2  LYS   2          1HG       LYS   2 -11.954   4.407  -2.149
   29    HG3  LYS   2          2HG       LYS   2 -11.446   2.705  -2.046
   30    HD2  LYS   2          1HD       LYS   2 -13.674   2.350  -2.382
   31    HD3  LYS   2          2HD       LYS   2 -13.708   2.545  -0.614
   32    HE2  LYS   2          1HE       LYS   2 -13.921   5.019  -2.257
   33    HE3  LYS   2          2HE       LYS   2 -15.317   3.918  -2.275
   34    HZ1  LYS   2          1HZ       LYS   2 -15.500   5.555  -0.529
   35    HZ2  LYS   2          2HZ       LYS   2 -15.368   4.045   0.123
   36    H    CYS   3           H        CYS   3  -8.229   3.157   1.302
   37    HA   CYS   3           HA       CYS   3  -7.364   1.516  -0.969
   38    HB2  CYS   3          1HB       CYS   3  -5.649   2.585   1.279
   39    HB3  CYS   3          2HB       CYS   3  -5.106   1.574  -0.044
   40    H    ASN   4           H        ASN   4  -6.193  -0.570  -0.107
   41    HA   ASN   4           HA       ASN   4  -8.069  -1.660   1.795
   42    HB2  ASN   4          1HB       ASN   4  -6.268  -3.217  -0.198
   43    HB3  ASN   4          2HB       ASN   4  -7.248  -3.667   1.218
   44   HD21  ASN   4          1HD2      ASN   4  -9.014  -3.637  -2.230
   45   HD22  ASN   4          2HD2      ASN   4  -7.354  -3.972  -1.866
   46    H    LYS   5           H        LYS   5  -7.355  -2.664   3.768
   47    HA   LYS   5           HA       LYS   5  -4.618  -2.097   4.527
   48    HB2  LYS   5          1HB       LYS   5  -6.941  -3.349   6.021
   49    HB3  LYS   5          2HB       LYS   5  -5.361  -2.933   6.729
   50    HG2  LYS   5          1HG       LYS   5  -7.469  -1.034   5.653
   51    HG3  LYS   5          2HG       LYS   5  -6.935  -1.215   7.342
   52    HD2  LYS   5          1HD       LYS   5  -5.103  -0.358   5.082
   53    HD3  LYS   5          2HD       LYS   5  -5.992   0.789   6.112
   54    HE2  LYS   5          1HE       LYS   5  -4.884  -0.094   8.097
   55    HE3  LYS   5          2HE       LYS   5  -4.040  -1.309   7.110
   56    HZ1  LYS   5          1HZ       LYS   5  -2.636   0.580   7.590
   57    HZ2  LYS   5          2HZ       LYS   5  -2.926   0.488   5.968
   58    H    LEU   6           H        LEU   6  -3.758  -4.074   6.093
   59    HA   LEU   6           HA       LEU   6  -2.878  -6.040   4.417
   60    HB2  LEU   6          1HB       LEU   6  -1.965  -5.524   6.473
   61    HB3  LEU   6          2HB       LEU   6  -3.333  -6.093   7.459
   62    HG   LEU   6           HG       LEU   6  -2.924  -8.403   6.639
   63   HD11  LEU   6          1HD1      LEU   6  -0.755  -8.888   5.476
   64   HD12  LEU   6          2HD1      LEU   6  -1.780  -7.804   4.506
   65   HD13  LEU   6          3HD1      LEU   6  -0.409  -7.143   5.427
   66   HD21  LEU   6          1HD2      LEU   6  -0.884  -8.822   7.966
   67   HD22  LEU   6          2HD2      LEU   6  -0.547  -7.074   7.969
   68   HD23  LEU   6          3HD2      LEU   6  -2.007  -7.700   8.769
   69    H    VAL   7           H        VAL   7  -5.846  -5.981   6.465
   70    HA   VAL   7           HA       VAL   7  -6.726  -8.516   5.499
   71    HB   VAL   7           HB       VAL   7  -8.230  -6.204   6.811
   72   HG11  VAL   7          1HG1      VAL   7  -9.994  -7.880   7.253
   73   HG12  VAL   7          2HG1      VAL   7  -9.737  -7.665   5.504
   74   HG13  VAL   7          3HG1      VAL   7  -9.071  -9.093   6.334
   75   HG21  VAL   7          1HG2      VAL   7  -8.127  -7.568   8.835
   76   HG22  VAL   7          2HG2      VAL   7  -7.138  -8.770   7.974
   77   HG23  VAL   7          3HG2      VAL   7  -6.509  -7.127   8.244
   78    HA   PRO   8           HA       PRO   8  -7.617  -6.867   1.647
   79    HB2  PRO   8          1HB       PRO   8  -8.244  -9.155   0.290
   80    HB3  PRO   8          2HB       PRO   8  -6.575  -8.810   0.763
   81    HG2  PRO   8          1HG       PRO   8  -8.651 -10.499   2.195
   82    HG3  PRO   8          2HG       PRO   8  -6.950 -10.862   1.881
   83    HD2  PRO   8          1HD       PRO   8  -7.759  -9.922   4.316
   84    HD3  PRO   8          2HD       PRO   8  -6.187  -9.466   3.648
   85    H    ILE   9           H        ILE   9  -9.918  -7.926   3.730
   86    HA   ILE   9           HA       ILE   9 -12.022  -7.229   1.801
   87    HB   ILE   9           HB       ILE   9 -13.560  -8.473   3.348
   88   HG12  ILE   9          1HG1      ILE   9 -11.063  -9.399   4.737
   89   HG13  ILE   9          2HG1      ILE   9 -12.111  -8.090   5.334
   90   HG21  ILE   9          1HG2      ILE   9 -12.776 -10.747   2.782
   91   HG22  ILE   9          2HG2      ILE   9 -12.571  -9.639   1.406
   92   HG23  ILE   9          3HG2      ILE   9 -11.165 -10.097   2.395
   93   HD11  ILE   9          1HD1      ILE   9 -12.628 -10.225   6.452
   94   HD12  ILE   9          2HD1      ILE   9 -14.002  -9.666   5.469
   95   HD13  ILE   9          3HD1      ILE   9 -12.954 -10.974   4.873
   96    H    ALA  10           H        ALA  10 -10.169  -5.515   3.552
   97    HA   ALA  10           HA       ALA  10 -12.357  -3.937   4.659
   98    HB1  ALA  10          1HB       ALA  10 -11.642  -4.009   6.815
   99    HB2  ALA  10          2HB       ALA  10 -10.856  -5.528   6.322
  100    HB3  ALA  10          3HB       ALA  10  -9.925  -4.011   6.349
  101    H    TYR  11           H        TYR  11 -12.162  -1.832   4.030
  102    HA   TYR  11           HA       TYR  11  -9.467  -0.945   3.245
  103    HB2  TYR  11          1HB       TYR  11 -10.556   0.619   1.757
  104    HB3  TYR  11          2HB       TYR  11 -10.982  -1.067   1.371
  105    HD1  TYR  11          1HD       TYR  11 -12.239   2.167   2.575
  106    HD2  TYR  11          2HD       TYR  11 -13.257  -1.896   1.777
  107    HE1  TYR  11          1HE       TYR  11 -14.643   2.751   2.711
  108    HE2  TYR  11          2HE       TYR  11 -15.660  -1.331   1.910
  109    HH   TYR  11           HH       TYR  11 -17.203   0.310   2.246
  110    H    LYS  12           H        LYS  12  -8.845   1.230   3.822
  111    HA   LYS  12           HA       LYS  12 -10.659   2.506   5.747
  112    HB2  LYS  12          1HB       LYS  12  -7.636   2.301   5.746
  113    HB3  LYS  12          2HB       LYS  12  -8.544   3.452   6.755
  114    HG2  LYS  12          1HG       LYS  12  -9.730   1.482   7.783
  115    HG3  LYS  12          2HG       LYS  12  -8.609   0.422   6.896
  116    HD2  LYS  12          1HD       LYS  12  -6.702   1.413   8.038
  117    HD3  LYS  12          2HD       LYS  12  -7.767   2.581   8.857
  118    HE2  LYS  12          1HE       LYS  12  -8.939   0.700   9.962
  119    HE3  LYS  12          2HE       LYS  12  -7.811  -0.435   9.187
  120    HZ1  LYS  12          1HZ       LYS  12  -7.144   0.085  11.434
  121    HZ2  LYS  12          2HZ       LYS  12  -6.016   0.642  10.366
  122    H    THR  13           H        THR  13 -10.724   4.829   5.680
  123    HA   THR  13           HA       THR  13 -10.327   5.866   3.048
  124    HB   THR  13           HB       THR  13 -11.009   7.289   5.667
  125    HG1  THR  13          1HG       THR  13 -13.181   7.068   4.862
  126   HG21  THR  13          1HG2      THR  13 -11.965   9.021   4.186
  127   HG22  THR  13          2HG2      THR  13 -10.225   8.804   3.878
  128   HG23  THR  13          3HG2      THR  13 -11.421   8.103   2.762
  129    H    CYS  14           H        CYS  14  -8.835   7.318   2.259
  130    HA   CYS  14           HA       CYS  14  -6.303   7.116   3.482
  131    HB2  CYS  14          1HB       CYS  14  -7.273   8.769   1.149
  132    HB3  CYS  14          2HB       CYS  14  -5.596   8.658   1.644
  133    HA   PRO  15           HA       PRO  15  -6.382  10.895   5.757
  134    HB2  PRO  15          1HB       PRO  15  -3.777  11.556   5.985
  135    HB3  PRO  15          2HB       PRO  15  -4.391  10.135   6.841
  136    HG2  PRO  15          1HG       PRO  15  -2.973  10.280   4.158
  137    HG3  PRO  15          2HG       PRO  15  -2.689   9.169   5.504
  138    HD2  PRO  15          1HD       PRO  15  -4.225   8.468   3.317
  139    HD3  PRO  15          2HD       PRO  15  -4.516   7.790   4.924
  140    H    GLU  16           H        GLU  16  -6.158  13.218   5.657
  141    HA   GLU  16           HA       GLU  16  -6.848  14.062   3.141
  142    HB2  GLU  16          1HB       GLU  16  -7.387  15.232   5.222
  143    HB3  GLU  16          2HB       GLU  16  -5.665  15.617   5.462
  144    HG2  GLU  16          1HG       GLU  16  -5.745  17.073   3.378
  145    HG3  GLU  16          2HG       GLU  16  -7.438  16.544   3.240
  146    HE2  GLU  16           HE       GLU  16  -7.364  19.689   5.069
  147    H    GLY  17           H        GLY  17  -5.713  14.685   1.329
  148    HA2  GLY  17          1HA       GLY  17  -3.973  15.827   0.278
  149    HA3  GLY  17          2HA       GLY  17  -2.936  15.559   1.663
  150    H    LYS  18           H        LYS  18  -4.124  12.611   1.638
  151    HA   LYS  18           HA       LYS  18  -2.161  11.631  -0.282
  152    HB2  LYS  18          1HB       LYS  18  -3.715  10.370   1.990
  153    HB3  LYS  18          2HB       LYS  18  -2.719   9.430   0.855
  154    HG2  LYS  18          1HG       LYS  18  -1.542   9.895   2.987
  155    HG3  LYS  18          2HG       LYS  18  -0.715  10.597   1.576
  156    HD2  LYS  18          1HD       LYS  18  -1.475  12.788   2.093
  157    HD3  LYS  18          2HD       LYS  18  -2.662  12.178   3.271
  158    HE2  LYS  18          1HE       LYS  18  -0.691  13.187   4.366
  159    HE3  LYS  18          2HE       LYS  18  -0.883  11.462   4.757
  160    HZ1  LYS  18          1HZ       LYS  18   1.399  12.010   4.251
  161    HZ2  LYS  18          2HZ       LYS  18   0.803  10.969   3.120
  162    H    ASN  19           H        ASN  19  -2.736   9.915  -1.809
  163    HA   ASN  19           HA       ASN  19  -5.548  10.087  -2.519
  164    HB2  ASN  19          1HB       ASN  19  -4.205  11.903  -3.912
  165    HB3  ASN  19          2HB       ASN  19  -3.316  10.402  -4.267
  166   HD21  ASN  19          1HD2      ASN  19  -6.694  11.400  -6.266
  167   HD22  ASN  19          2HD2      ASN  19  -6.066  12.350  -4.960
  168    H    LEU  20           H        LEU  20  -2.266   8.619  -2.959
  169    HA   LEU  20           HA       LEU  20  -3.359   6.652  -4.776
  170    HB2  LEU  20          1HB       LEU  20  -0.508   7.060  -3.871
  171    HB3  LEU  20          2HB       LEU  20  -1.059   6.093  -5.223
  172    HG   LEU  20           HG       LEU  20  -1.299   9.106  -5.004
  173   HD11  LEU  20          1HD1      LEU  20   0.779   7.307  -6.125
  174   HD12  LEU  20          2HD1      LEU  20   0.322   8.716  -7.111
  175   HD13  LEU  20          3HD1      LEU  20   0.914   8.948  -5.449
  176   HD21  LEU  20          1HD2      LEU  20  -2.023   9.056  -7.332
  177   HD22  LEU  20          2HD2      LEU  20  -1.954   7.277  -7.330
  178   HD23  LEU  20          3HD2      LEU  20  -3.132   8.124  -6.298
  179    H    CYS  21           H        CYS  21  -2.886   4.314  -4.486
  180    HA   CYS  21           HA       CYS  21  -2.929   3.649  -1.637
  181    HB2  CYS  21          1HB       CYS  21  -3.984   2.097  -4.009
  182    HB3  CYS  21          2HB       CYS  21  -3.977   1.517  -2.356
  183    H    TYR  22           H        TYR  22  -1.233   2.415  -0.829
  184    HA   TYR  22           HA       TYR  22   0.644   1.336  -2.825
  185    HB2  TYR  22          1HB       TYR  22   2.454   2.060  -1.570
  186    HB3  TYR  22          2HB       TYR  22   1.336   3.445  -1.614
  187    HD1  TYR  22          1HD       TYR  22   2.795   0.808   0.519
  188    HD2  TYR  22          2HD       TYR  22   0.242   4.222   0.405
  189    HE1  TYR  22          1HE       TYR  22   2.827   0.905   2.994
  190    HE2  TYR  22          2HE       TYR  22   0.263   4.334   2.875
  191    HH   TYR  22           HH       TYR  22   1.040   3.406   4.804
  192    H    LYS  23           H        LYS  23   1.742  -0.629  -2.258
  193    HA   LYS  23           HA       LYS  23   0.945  -1.787   0.312
  194    HB2  LYS  23          1HB       LYS  23   0.855  -3.993  -0.760
  195    HB3  LYS  23          2HB       LYS  23  -0.381  -2.884  -1.400
  196    HG2  LYS  23          1HG       LYS  23   0.914  -2.524  -3.418
  197    HG3  LYS  23          2HG       LYS  23   2.261  -3.488  -2.766
  198    HD2  LYS  23          1HD       LYS  23   0.836  -4.722  -4.415
  199    HD3  LYS  23          2HD       LYS  23   0.938  -5.499  -2.817
  200    HE2  LYS  23          1HE       LYS  23  -1.228  -4.575  -2.194
  201    HE3  LYS  23          2HE       LYS  23  -1.325  -3.705  -3.742
  202    HZ1  LYS  23          1HZ       LYS  23  -2.600  -5.740  -3.784
  203    HZ2  LYS  23          2HZ       LYS  23  -1.354  -5.830  -4.861
  204    H    MET  24           H        MET  24   2.553  -3.184   1.268
  205    HA   MET  24           HA       MET  24   5.182  -2.534   0.182
  206    HB2  MET  24          1HB       MET  24   4.226  -3.009   3.016
  207    HB3  MET  24          2HB       MET  24   5.938  -2.826   2.563
  208    HG2  MET  24          1HG       MET  24   5.513  -0.559   1.775
  209    HG3  MET  24          2HG       MET  24   3.780  -0.737   2.139
  210    HE1  MET  24          1HE       MET  24   7.083  -0.702   5.395
  211    HE2  MET  24          2HE       MET  24   6.797  -2.077   4.300
  212    HE3  MET  24          3HE       MET  24   7.416  -0.537   3.653
  213    H    PHE  25           H        PHE  25   6.688  -4.182  -0.152
  214    HA   PHE  25           HA       PHE  25   5.834  -6.858   0.705
  215    HB2  PHE  25          1HB       PHE  25   7.517  -5.994  -1.684
  216    HB3  PHE  25          2HB       PHE  25   7.251  -7.682  -1.194
  217    HD1  PHE  25          1HD       PHE  25   5.653  -4.643  -2.523
  218    HD2  PHE  25          2HD       PHE  25   5.240  -8.810  -1.677
  219    HE1  PHE  25          1HE       PHE  25   3.594  -4.715  -3.888
  220    HE2  PHE  25          2HE       PHE  25   3.182  -8.886  -3.044
  221    HZ   PHE  25           HZ       PHE  25   2.357  -6.837  -4.149
  222    H    MET  26           H        MET  26   7.674  -8.385   1.245
  223    HA   MET  26           HA       MET  26  10.115  -6.912   1.874
  224    HB2  MET  26          1HB       MET  26   8.967  -9.441   3.079
  225    HB3  MET  26          2HB       MET  26  10.591  -8.807   3.440
  226    HG2  MET  26          1HG       MET  26   9.589  -6.760   4.355
  227    HG3  MET  26          2HG       MET  26   7.965  -7.388   3.987
  228    HE1  MET  26          1HE       MET  26   8.130  -7.562   7.929
  229    HE2  MET  26          2HE       MET  26   8.866  -6.321   6.883
  230    HE3  MET  26          3HE       MET  26   7.236  -6.939   6.521
  231    H    MET  27           H        MET  27  12.135  -7.810   1.185
  232    HA   MET  27           HA       MET  27  12.069  -8.738  -1.336
  233    HB2  MET  27          1HB       MET  27  14.132  -8.943   0.846
  234    HB3  MET  27          2HB       MET  27  14.465  -9.541  -0.797
  235    HG2  MET  27          1HG       MET  27  13.725  -6.697  -0.043
  236    HG3  MET  27          2HG       MET  27  15.358  -7.273  -0.453
  237    HE1  MET  27          1HE       MET  27  15.095  -8.094  -4.242
  238    HE2  MET  27          2HE       MET  27  16.175  -7.871  -2.843
  239    HE3  MET  27          3HE       MET  27  14.993  -9.203  -2.853
  240    H    SER  28           H        SER  28  12.002 -10.636   1.690
  241    HA   SER  28           HA       SER  28  12.366 -13.127   0.506
  242    HB2  SER  28          1HB       SER  28  12.519 -12.748   2.905
  243    HB3  SER  28          2HB       SER  28  10.803 -12.283   2.969
  244    HG   SER  28           HG       SER  28  11.167 -14.454   3.613
  245    H    ASP  29           H        ASP  29   9.273 -11.577   1.675
  246    HA   ASP  29           HA       ASP  29   7.853 -13.476   0.043
  247    HB2  ASP  29          1HB       ASP  29   7.195 -13.040   2.488
  248    HB3  ASP  29          2HB       ASP  29   6.877 -11.394   1.886
  249    HD2  ASP  29           HD       ASP  29   3.742 -13.275   1.804
  250    H    LEU  30           H        LEU  30   8.460 -12.431  -2.060
  251    HA   LEU  30           HA       LEU  30   7.504  -9.772  -2.555
  252    HB2  LEU  30          1HB       LEU  30   8.796 -11.980  -3.914
  253    HB3  LEU  30          2HB       LEU  30   7.980 -10.881  -5.050
  254    HG   LEU  30           HG       LEU  30   9.574  -9.291  -4.846
  255   HD11  LEU  30          1HD1      LEU  30  10.632  -8.659  -2.661
  256   HD12  LEU  30          2HD1      LEU  30   8.860  -8.742  -2.521
  257   HD13  LEU  30          3HD1      LEU  30   9.866 -10.072  -1.898
  258   HD21  LEU  30          1HD2      LEU  30  11.822 -10.142  -4.278
  259   HD22  LEU  30          2HD2      LEU  30  11.074 -11.585  -3.550
  260   HD23  LEU  30          3HD2      LEU  30  10.899 -11.272  -5.294
  261    H    THR  31           H        THR  31   6.120 -12.923  -2.335
  262    HA   THR  31           HA       THR  31   4.294 -12.665  -4.520
  263    HB   THR  31           HB       THR  31   4.306 -14.528  -2.094
  264    HG1  THR  31          1HG       THR  31   5.208 -16.004  -3.651
  265   HG21  THR  31          1HG2      THR  31   2.818 -15.949  -3.462
  266   HG22  THR  31          2HG2      THR  31   2.084 -14.355  -3.161
  267   HG23  THR  31          3HG2      THR  31   2.816 -14.713  -4.742
  268    H    ILE  32           H        ILE  32   4.118 -12.179  -0.955
  269    HA   ILE  32           HA       ILE  32   1.470 -10.999  -1.418
  270    HB   ILE  32           HB       ILE  32   2.381 -12.827   0.854
  271   HG12  ILE  32          1HG1      ILE  32   1.683 -13.961  -1.154
  272   HG13  ILE  32          2HG1      ILE  32   0.566 -14.233   0.202
  273   HG21  ILE  32          1HG2      ILE  32   0.156 -12.422   1.850
  274   HG22  ILE  32          2HG2      ILE  32   1.098 -10.916   1.754
  275   HG23  ILE  32          3HG2      ILE  32  -0.199 -11.231   0.576
  276   HD11  ILE  32          1HD1      ILE  32  -0.661 -13.905  -1.909
  277   HD12  ILE  32          2HD1      ILE  32  -1.002 -12.591  -0.758
  278   HD13  ILE  32          3HD1      ILE  32   0.116 -12.319  -2.116
  279    HA   PRO  33           HA       PRO  33   3.443  -7.653   0.557
  280    HB2  PRO  33          1HB       PRO  33   1.413  -5.844   0.502
  281    HB3  PRO  33          2HB       PRO  33   2.306  -6.230  -0.976
  282    HG2  PRO  33          1HG       PRO  33  -0.327  -7.373   0.016
  283    HG3  PRO  33          2HG       PRO  33   0.103  -6.821  -1.610
  284    HD2  PRO  33          1HD       PRO  33   0.144  -9.485  -0.938
  285    HD3  PRO  33          2HD       PRO  33   1.275  -8.815  -2.121
  286    H    VAL  34           H        VAL  34   3.237  -6.227   2.523
  287    HA   VAL  34           HA       VAL  34   2.169  -8.123   4.497
  288    HB   VAL  34           HB       VAL  34   4.103  -7.496   5.918
  289   HG11  VAL  34          1HG1      VAL  34   5.886  -8.584   4.595
  290   HG12  VAL  34          2HG1      VAL  34   4.334  -9.430   4.396
  291   HG13  VAL  34          3HG1      VAL  34   4.929  -8.350   3.113
  292   HG21  VAL  34          1HG2      VAL  34   5.937  -6.154   5.020
  293   HG22  VAL  34          2HG2      VAL  34   4.982  -5.833   3.554
  294   HG23  VAL  34          3HG2      VAL  34   4.423  -5.227   5.131
  295    H    LYS  35           H        LYS  35   2.363  -4.829   3.325
  296    HA   LYS  35           HA       LYS  35   0.392  -4.117   5.318
  297    HB2  LYS  35          1HB       LYS  35   3.056  -2.738   4.962
  298    HB3  LYS  35          2HB       LYS  35   1.632  -1.890   5.608
  299    HG2  LYS  35          1HG       LYS  35   1.539  -3.812   7.343
  300    HG3  LYS  35          2HG       LYS  35   3.209  -4.158   6.831
  301    HD2  LYS  35          1HD       LYS  35   3.463  -2.727   8.680
  302    HD3  LYS  35          2HD       LYS  35   3.665  -1.663   7.267
  303    HE2  LYS  35          1HE       LYS  35   1.413  -0.846   7.473
  304    HE3  LYS  35          2HE       LYS  35   1.042  -2.043   8.735
  305    HZ1  LYS  35          1HZ       LYS  35   1.481   0.125   9.669
  306    HZ2  LYS  35          2HZ       LYS  35   2.637  -0.945  10.156
  307    H    ARG  36           H        ARG  36  -1.009  -2.440   4.602
  308    HA   ARG  36           HA       ARG  36  -0.355  -1.292   2.042
  309    HB2  ARG  36          1HB       ARG  36  -2.871  -2.840   2.508
  310    HB3  ARG  36          2HB       ARG  36  -2.571  -1.758   1.129
  311    HG2  ARG  36          1HG       ARG  36  -1.913  -3.662   0.105
  312    HG3  ARG  36          2HG       ARG  36  -0.389  -3.352   0.972
  313    HD2  ARG  36          1HD       ARG  36  -1.002  -5.640   1.182
  314    HD3  ARG  36          2HD       ARG  36  -1.138  -4.829   2.760
  315    HE   ARG  36           HE       ARG  36  -3.582  -5.264   2.647
  316   HH11  ARG  36          1HH       ARG  36  -3.397  -7.034  -0.868
  317   HH21  ARG  36          1HH2      ARG  36  -5.230  -6.274   2.107
  318   HH22  ARG  36          2HH2      ARG  36  -5.287  -7.115   0.570
  319    H    GLY  37           H        GLY  37  -1.468   0.747   1.661
  320    HA2  GLY  37          1HA       GLY  37  -3.434   1.761   3.447
  321    HA3  GLY  37          2HA       GLY  37  -1.835   2.306   3.915
  322    H    CYS  38           H        CYS  38  -2.776   4.492   3.359
  323    HA   CYS  38           HA       CYS  38  -2.821   4.912   0.464
  324    HB2  CYS  38          1HB       CYS  38  -3.848   6.797   2.585
  325    HB3  CYS  38          2HB       CYS  38  -4.101   6.892   0.853
  326    H    ILE  39           H        ILE  39  -1.597   6.792  -0.371
  327    HA   ILE  39           HA       ILE  39  -0.145   8.403   1.487
  328    HB   ILE  39           HB       ILE  39   1.365   6.362   1.197
  329   HG12  ILE  39          1HG1      ILE  39   2.615   8.797  -0.005
  330   HG13  ILE  39          2HG1      ILE  39   2.039   8.776   1.677
  331   HG21  ILE  39          1HG2      ILE  39   2.551   6.150  -0.962
  332   HG22  ILE  39          2HG2      ILE  39   0.804   5.887  -1.163
  333   HG23  ILE  39          3HG2      ILE  39   1.532   7.436  -1.648
  334   HD11  ILE  39          1HD1      ILE  39   4.448   8.271   1.554
  335   HD12  ILE  39          2HD1      ILE  39   3.530   6.874   2.163
  336   HD13  ILE  39          3HD1      ILE  39   4.105   6.896   0.479
  337    H    ASP  40           H        ASP  40   1.046  10.181   0.295
  338    HA   ASP  40           HA       ASP  40  -0.657  10.932  -1.887
  339    HB2  ASP  40          1HB       ASP  40   0.458  13.212  -1.572
  340    HB3  ASP  40          2HB       ASP  40  -0.382  12.416  -0.219
  341    HD2  ASP  40           HD       ASP  40   2.987  13.650   0.785
  342    H    VAL  41           H        VAL  41   2.872  10.526  -1.110
  343    HA   VAL  41           HA       VAL  41   3.400  10.482  -4.002
  344    HB   VAL  41           HB       VAL  41   5.251  11.242  -1.693
  345   HG11  VAL  41          1HG1      VAL  41   6.863  11.829  -3.474
  346   HG12  VAL  41          2HG1      VAL  41   6.445  10.100  -3.531
  347   HG13  VAL  41          3HG1      VAL  41   5.723  11.229  -4.702
  348   HG21  VAL  41          1HG2      VAL  41   5.220  13.484  -2.668
  349   HG22  VAL  41          2HG2      VAL  41   4.021  12.943  -3.867
  350   HG23  VAL  41          3HG2      VAL  41   3.605  12.963  -2.137
  351    H    CYS  42           H        CYS  42   4.281   8.638  -4.859
  352    HA   CYS  42           HA       CYS  42   4.107   6.350  -3.228
  353    HB2  CYS  42          1HB       CYS  42   3.529   6.392  -5.617
  354    HB3  CYS  42          2HB       CYS  42   5.213   6.656  -6.027
  355    HA   PRO  43           HA       PRO  43   8.224   6.650  -1.744
  356    HB2  PRO  43          1HB       PRO  43   8.288   4.396  -0.191
  357    HB3  PRO  43          2HB       PRO  43   7.460   5.860   0.358
  358    HG2  PRO  43          1HG       PRO  43   6.306   3.418  -1.023
  359    HG3  PRO  43          2HG       PRO  43   5.667   4.321   0.357
  360    HD2  PRO  43          1HD       PRO  43   4.696   4.720  -2.173
  361    HD3  PRO  43          2HD       PRO  43   4.786   6.050  -1.012
  362    H    LYS  44           H        LYS  44  10.246   6.122  -2.421
  363    HA   LYS  44           HA       LYS  44  10.291   4.393  -4.666
  364    HB2  LYS  44          1HB       LYS  44  12.469   5.686  -2.997
  365    HB3  LYS  44          2HB       LYS  44  12.766   4.779  -4.499
  366    HG2  LYS  44          1HG       LYS  44  11.412   6.409  -5.753
  367    HG3  LYS  44          2HG       LYS  44  11.117   7.317  -4.251
  368    HD2  LYS  44          1HD       LYS  44  13.518   7.747  -4.017
  369    HD3  LYS  44          2HD       LYS  44  13.841   6.802  -5.491
  370    HE2  LYS  44          1HE       LYS  44  12.502   8.391  -6.804
  371    HE3  LYS  44          2HE       LYS  44  12.177   9.335  -5.333
  372    HZ1  LYS  44          1HZ       LYS  44  13.973  10.279  -6.616
  373    HZ2  LYS  44          2HZ       LYS  44  14.536   9.753  -5.157
  374    H    ASN  45           H        ASN  45  11.729   2.466  -4.882
  375    HA   ASN  45           HA       ASN  45  10.933   0.694  -2.854
  376    HB2  ASN  45          1HB       ASN  45  12.682   0.026  -5.334
  377    HB3  ASN  45          2HB       ASN  45  12.036  -0.882  -3.946
  378   HD21  ASN  45          1HD2      ASN  45   9.820  -0.827  -7.073
  379   HD22  ASN  45          2HD2      ASN  45  11.544  -0.901  -6.926
  380    H    SER  46           H        SER  46  12.288  -0.428  -1.311
  381    HA   SER  46           HA       SER  46  14.950   0.733  -1.062
  382    HB2  SER  46          1HB       SER  46  14.795   0.207   1.314
  383    HB3  SER  46          2HB       SER  46  13.392   1.172   0.800
  384    HG   SER  46           HG       SER  46  12.198  -0.768   0.720
  385    H    LEU  47           H        LEU  47  16.383  -0.992   0.391
  386    HA   LEU  47           HA       LEU  47  16.690  -3.173  -1.429
  387    HB2  LEU  47          1HB       LEU  47  17.939  -2.356   1.119
  388    HB3  LEU  47          2HB       LEU  47  18.636  -3.717   0.210
  389    HG   LEU  47           HG       LEU  47  18.465  -0.820  -0.708
  390   HD11  LEU  47          1HD1      LEU  47  20.969  -0.913  -0.583
  391   HD12  LEU  47          2HD1      LEU  47  20.231  -1.233   1.003
  392   HD13  LEU  47          3HD1      LEU  47  20.861  -2.581   0.026
  393   HD21  LEU  47          1HD2      LEU  47  19.767  -1.568  -2.670
  394   HD22  LEU  47          2HD2      LEU  47  19.629  -3.248  -2.098
  395   HD23  LEU  47          3HD2      LEU  47  18.168  -2.346  -2.568
  396    H    LEU  48           H        LEU  48  15.039  -2.594   1.604
  397    HA   LEU  48           HA       LEU  48  15.137  -5.432   2.277
  398    HB2  LEU  48          1HB       LEU  48  14.170  -2.985   3.623
  399    HB3  LEU  48          2HB       LEU  48  14.057  -4.550   4.462
  400    HG   LEU  48           HG       LEU  48  16.599  -3.091   3.643
  401   HD11  LEU  48          1HD1      LEU  48  17.005  -2.992   6.117
  402   HD12  LEU  48          2HD1      LEU  48  15.490  -2.169   5.676
  403   HD13  LEU  48          3HD1      LEU  48  15.443  -3.800   6.389
  404   HD21  LEU  48          1HD2      LEU  48  17.804  -4.931   4.766
  405   HD22  LEU  48          2HD2      LEU  48  16.254  -5.776   5.006
  406   HD23  LEU  48          3HD2      LEU  48  16.863  -5.484   3.359
  407    H    VAL  49           H        VAL  49  12.819  -2.717   1.681
  408    HA   VAL  49           HA       VAL  49  10.764  -4.775   1.254
  409    HB   VAL  49           HB       VAL  49   9.113  -3.073   2.105
  410   HG11  VAL  49          1HG1      VAL  49   9.650  -3.361   4.502
  411   HG12  VAL  49          2HG1      VAL  49   9.943  -4.864   3.594
  412   HG13  VAL  49          3HG1      VAL  49  11.312  -3.830   4.073
  413   HG21  VAL  49          1HG2      VAL  49   9.920  -1.168   3.406
  414   HG22  VAL  49          2HG2      VAL  49  11.592  -1.559   2.938
  415   HG23  VAL  49          3HG2      VAL  49  10.411  -1.067   1.699
  416    H    LYS  50           H        LYS  50   9.287  -4.381  -0.459
  417    HA   LYS  50           HA       LYS  50  10.209  -2.281  -2.286
  418    HB2  LYS  50          1HB       LYS  50  10.364  -4.557  -3.152
  419    HB3  LYS  50          2HB       LYS  50   8.655  -4.846  -2.744
  420    HG2  LYS  50          1HG       LYS  50   7.987  -3.120  -4.385
  421    HG3  LYS  50          2HG       LYS  50   9.698  -2.881  -4.813
  422    HD2  LYS  50          1HD       LYS  50   9.855  -5.210  -5.560
  423    HD3  LYS  50          2HD       LYS  50   8.161  -5.488  -5.088
  424    HE2  LYS  50          1HE       LYS  50   7.460  -3.741  -6.707
  425    HE3  LYS  50          2HE       LYS  50   9.155  -3.567  -7.217
  426    HZ1  LYS  50          1HZ       LYS  50   7.929  -5.017  -8.687
  427    HZ2  LYS  50          2HZ       LYS  50   9.115  -5.865  -7.914
  428    H    TYR  51           H        TYR  51   8.677  -0.888  -3.291
  429    HA   TYR  51           HA       TYR  51   6.102  -0.836  -1.865
  430    HB2  TYR  51          1HB       TYR  51   7.819   1.417  -2.909
  431    HB3  TYR  51          2HB       TYR  51   6.174   1.602  -2.253
  432    HD1  TYR  51          1HD       TYR  51   9.703   1.046  -1.439
  433    HD2  TYR  51          2HD       TYR  51   5.753   1.253   0.153
  434    HE1  TYR  51          1HE       TYR  51  10.642   1.226   0.846
  435    HE2  TYR  51          2HE       TYR  51   6.672   1.434   2.440
  436    HH   TYR  51           HH       TYR  51   8.552   1.514   3.723
  437    H    VAL  52           H        VAL  52   4.307  -1.063  -3.111
  438    HA   VAL  52           HA       VAL  52   4.555  -0.241  -5.921
  439    HB   VAL  52           HB       VAL  52   2.874  -2.521  -4.775
  440   HG11  VAL  52          1HG1      VAL  52   2.318  -2.983  -7.140
  441   HG12  VAL  52          2HG1      VAL  52   1.775  -1.358  -6.659
  442   HG13  VAL  52          3HG1      VAL  52   3.249  -1.552  -7.638
  443   HG21  VAL  52          1HG2      VAL  52   4.311  -3.992  -6.094
  444   HG22  VAL  52          2HG2      VAL  52   5.314  -2.597  -6.556
  445   HG23  VAL  52          3HG2      VAL  52   5.224  -3.105  -4.852
  446    H    CYS  53           H        CYS  53   3.105   1.284  -6.580
  447    HA   CYS  53           HA       CYS  53   0.916   1.836  -4.708
  448    HB2  CYS  53          1HB       CYS  53   2.318   3.898  -6.405
  449    HB3  CYS  53          2HB       CYS  53   1.124   4.174  -5.153
  450    H    CYS  54           H        CYS  54  -1.035   2.824  -5.814
  451    HA   CYS  54           HA       CYS  54  -1.084   2.707  -8.672
  452    HB2  CYS  54          1HB       CYS  54  -3.121   1.186  -8.662
  453    HB3  CYS  54          2HB       CYS  54  -1.542   0.443  -8.499
  454    H    ASN  55           H        ASN  55  -3.192   3.713  -9.470
  455    HA   ASN  55           HA       ASN  55  -3.594   5.798  -7.490
  456    HB2  ASN  55          1HB       ASN  55  -3.643   7.423  -9.444
  457    HB3  ASN  55          2HB       ASN  55  -2.367   6.192  -9.286
  458   HD21  ASN  55          1HD2      ASN  55  -3.555   6.519 -12.825
  459   HD22  ASN  55          2HD2      ASN  55  -3.037   7.658 -11.626
  460    H    THR  56           H        THR  56  -5.254   3.321  -7.667
  461    HA   THR  56           HA       THR  56  -7.818   4.686  -8.073
  462    HB   THR  56           HB       THR  56  -8.761   2.527  -8.930
  463    HG1  THR  56          1HG       THR  56  -7.215   0.934  -9.627
  464   HG21  THR  56          1HG2      THR  56  -7.795   2.646 -11.200
  465   HG22  THR  56          2HG2      THR  56  -8.068   4.274 -10.534
  466   HG23  THR  56          3HG2      THR  56  -6.426   3.592 -10.568
  467    H    ASP  57           H        ASP  57  -9.637   3.187  -7.056
  468    HA   ASP  57           HA       ASP  57  -8.800   3.193  -4.341
  469    HB2  ASP  57          1HB       ASP  57 -11.548   2.762  -5.636
  470    HB3  ASP  57          2HB       ASP  57 -11.107   2.610  -3.918
  471    HD2  ASP  57           HD       ASP  57 -11.650   6.208  -5.320
  472    H    ARG  58           H        ARG  58  -8.599   1.332  -2.977
  473    HA   ARG  58           HA       ARG  58  -8.421  -0.744  -2.395
  474    HB2  ARG  58          1HB       ARG  58 -10.859  -1.133  -4.085
  475    HB3  ARG  58          2HB       ARG  58 -10.234  -2.277  -2.876
  476    HG2  ARG  58          1HG       ARG  58 -10.481  -0.389  -1.179
  477    HG3  ARG  58          2HG       ARG  58 -11.412   0.474  -2.427
  478    HD2  ARG  58          1HD       ARG  58 -12.913  -0.577  -0.945
  479    HD3  ARG  58          2HD       ARG  58 -12.959  -1.438  -2.502
  480    HE   ARG  58           HE       ARG  58 -11.257  -2.844  -0.542
  481   HH11  ARG  58          1HH       ARG  58 -15.044  -3.873  -0.900
  482   HH21  ARG  58          1HH2      ARG  58 -11.734  -4.642   0.213
  483   HH22  ARG  58          2HH2      ARG  58 -13.381  -5.232   0.119
  484    H    CYS  59           H        CYS  59  -6.810   0.028  -4.678
  485    HA   CYS  59           HA       CYS  59  -7.024  -2.128  -6.577
  486    HB2  CYS  59          1HB       CYS  59  -5.123  -1.002  -7.687
  487    HB3  CYS  59          2HB       CYS  59  -6.549   0.002  -7.503
  488    H    ASN  60           H        ASN  60  -5.188  -1.115  -3.709
  489    HA   ASN  60           HA       ASN  60  -3.229  -3.179  -4.184
  490    HB2  ASN  60          1HB       ASN  60  -2.058  -2.206  -2.233
  491    HB3  ASN  60          2HB       ASN  60  -2.497  -0.926  -3.347
  492   HD21  ASN  60          1HD2      ASN  60  -1.959  -0.080  -0.963
  493   HD22  ASN  60          2HD2      ASN  60  -3.356   0.330  -0.027
  Start of MODEL   13
    1    H1   MET   0          1H        MET   0  -8.856  11.596   1.397
    2    H2   MET   0          2H        MET   0  -9.390  11.077   2.699
    3    H    MET   0           H        MET   0  -8.914  10.082   1.619
    4    H3   MET   0          3H        MET   0  -8.854  10.123   1.674
    5    HA   MET   0           HA       MET   0 -11.511  10.916   1.961
    6    HB2  MET   0          1HB       MET   0 -10.867  12.832   0.608
    7    HB3  MET   0          2HB       MET   0 -10.253  11.750  -0.666
    8    HG2  MET   0          1HG       MET   0 -12.550  10.897  -1.014
    9    HG3  MET   0          2HG       MET   0 -13.142  12.040   0.215
   10    HE1  MET   0          1HE       MET   0 -11.544  13.145  -3.986
   11    HE2  MET   0          2HE       MET   0 -10.519  12.350  -2.765
   12    HE3  MET   0          3HE       MET   0 -11.934  11.498  -3.432
   13    H    LEU   1           H        LEU   1  -9.213   9.532  -0.482
   14    HA   LEU   1           HA       LEU   1 -11.170   7.847  -1.616
   15    HB2  LEU   1          1HB       LEU   1  -8.218   7.855  -1.530
   16    HB3  LEU   1          2HB       LEU   1  -9.046   6.742  -2.644
   17    HG   LEU   1           HG       LEU   1  -9.024   9.782  -2.731
   18   HD11  LEU   1          1HD1      LEU   1  -7.992   9.409  -4.986
   19   HD12  LEU   1          2HD1      LEU   1  -7.015   8.665  -3.698
   20   HD13  LEU   1          3HD1      LEU   1  -8.069   7.652  -4.715
   21   HD21  LEU   1          1HD2      LEU   1 -10.467   9.587  -4.726
   22   HD22  LEU   1          2HD2      LEU   1 -10.593   7.834  -4.442
   23   HD23  LEU   1          3HD2      LEU   1 -11.252   8.979  -3.249
   24    H    LYS   2           H        LYS   2 -10.331   5.312  -1.793
   25    HA   LYS   2           HA       LYS   2 -10.095   4.445   1.004
   26    HB2  LYS   2          1HB       LYS   2 -11.552   2.519   0.313
   27    HB3  LYS   2          2HB       LYS   2 -12.365   4.100   0.401
   28    HG2  LYS   2          1HG       LYS   2 -12.143   4.299  -2.075
   29    HG3  LYS   2          2HG       LYS   2 -11.454   2.659  -2.113
   30    HD2  LYS   2          1HD       LYS   2 -13.518   1.749  -1.159
   31    HD3  LYS   2          2HD       LYS   2 -14.208   3.386  -1.056
   32    HE2  LYS   2          1HE       LYS   2 -13.992   3.588  -3.525
   33    HE3  LYS   2          2HE       LYS   2 -13.416   1.906  -3.583
   34    HZ1  LYS   2          1HZ       LYS   2 -15.765   2.059  -4.058
   35    HZ2  LYS   2          2HZ       LYS   2 -15.523   1.220  -2.658
   36    H    CYS   3           H        CYS   3  -8.397   3.112   1.372
   37    HA   CYS   3           HA       CYS   3  -7.433   1.588  -0.940
   38    HB2  CYS   3          1HB       CYS   3  -5.791   2.673   1.356
   39    HB3  CYS   3          2HB       CYS   3  -5.191   1.653   0.063
   40    H    ASN   4           H        ASN   4  -6.232  -0.495  -0.122
   41    HA   ASN   4           HA       ASN   4  -8.083  -1.670   1.760
   42    HB2  ASN   4          1HB       ASN   4  -6.264  -3.136  -0.287
   43    HB3  ASN   4          2HB       ASN   4  -7.206  -3.647   1.136
   44   HD21  ASN   4          1HD2      ASN   4  -9.036  -3.616  -2.273
   45   HD22  ASN   4          2HD2      ASN   4  -7.363  -3.919  -1.940
   46    H    LYS   5           H        LYS   5  -7.341  -2.673   3.717
   47    HA   LYS   5           HA       LYS   5  -4.600  -2.086   4.452
   48    HB2  LYS   5          1HB       LYS   5  -6.904  -3.337   5.973
   49    HB3  LYS   5          2HB       LYS   5  -5.319  -2.915   6.664
   50    HG2  LYS   5          1HG       LYS   5  -7.438  -1.021   5.598
   51    HG3  LYS   5          2HG       LYS   5  -6.896  -1.199   7.284
   52    HD2  LYS   5          1HD       LYS   5  -5.070  -0.349   5.018
   53    HD3  LYS   5          2HD       LYS   5  -5.961   0.803   6.039
   54    HE2  LYS   5          1HE       LYS   5  -4.851  -0.054   8.029
   55    HE3  LYS   5          2HE       LYS   5  -4.013  -1.286   7.059
   56    HZ1  LYS   5          1HZ       LYS   5  -2.598   0.602   7.512
   57    HZ2  LYS   5          2HZ       LYS   5  -2.890   0.489   5.892
   58    H    LEU   6           H        LEU   6  -3.711  -4.051   6.007
   59    HA   LEU   6           HA       LEU   6  -2.870  -6.046   4.343
   60    HB2  LEU   6          1HB       LEU   6  -1.911  -5.532   6.369
   61    HB3  LEU   6          2HB       LEU   6  -3.276  -6.036   7.393
   62    HG   LEU   6           HG       LEU   6  -2.951  -8.377   6.619
   63   HD11  LEU   6          1HD1      LEU   6  -0.815  -8.952   5.436
   64   HD12  LEU   6          2HD1      LEU   6  -1.824  -7.862   4.456
   65   HD13  LEU   6          3HD1      LEU   6  -0.419  -7.219   5.342
   66   HD21  LEU   6          1HD2      LEU   6  -0.904  -8.825   7.927
   67   HD22  LEU   6          2HD2      LEU   6  -0.516  -7.087   7.882
   68   HD23  LEU   6          3HD2      LEU   6  -1.981  -7.651   8.720
   69    H    VAL   7           H        VAL   7  -5.802  -5.947   6.444
   70    HA   VAL   7           HA       VAL   7  -6.707  -8.494   5.533
   71    HB   VAL   7           HB       VAL   7  -8.185  -6.160   6.842
   72   HG11  VAL   7          1HG1      VAL   7  -9.928  -7.836   7.360
   73   HG12  VAL   7          2HG1      VAL   7  -9.715  -7.656   5.603
   74   HG13  VAL   7          3HG1      VAL   7  -9.021  -9.063   6.445
   75   HG21  VAL   7          1HG2      VAL   7  -8.025  -7.482   8.891
   76   HG22  VAL   7          2HG2      VAL   7  -7.050  -8.697   8.030
   77   HG23  VAL   7          3HG2      VAL   7  -6.423  -7.046   8.251
   78    HA   PRO   8           HA       PRO   8  -7.694  -6.895   1.682
   79    HB2  PRO   8          1HB       PRO   8  -8.340  -9.201   0.369
   80    HB3  PRO   8          2HB       PRO   8  -6.662  -8.842   0.800
   81    HG2  PRO   8          1HG       PRO   8  -8.699 -10.524   2.300
   82    HG3  PRO   8          2HG       PRO   8  -7.002 -10.884   1.951
   83    HD2  PRO   8          1HD       PRO   8  -7.763  -9.916   4.391
   84    HD3  PRO   8          2HD       PRO   8  -6.206  -9.466   3.685
   85    H    ILE   9           H        ILE   9  -9.937  -7.929   3.838
   86    HA   ILE   9           HA       ILE   9 -12.088  -7.238   1.961
   87    HB   ILE   9           HB       ILE   9 -13.591  -8.473   3.551
   88   HG12  ILE   9          1HG1      ILE   9 -11.062  -9.408   4.874
   89   HG13  ILE   9          2HG1      ILE   9 -12.088  -8.094   5.498
   90   HG21  ILE   9          1HG2      ILE   9 -12.831 -10.752   2.967
   91   HG22  ILE   9          2HG2      ILE   9 -12.659  -9.647   1.585
   92   HG23  ILE   9          3HG2      ILE   9 -11.230 -10.109   2.537
   93   HD11  ILE   9          1HD1      ILE   9 -12.583 -10.224   6.631
   94   HD12  ILE   9          2HD1      ILE   9 -13.981  -9.661   5.685
   95   HD13  ILE   9          3HD1      ILE   9 -12.953 -10.975   5.063
   96    H    ALA  10           H        ALA  10 -10.190  -5.516   3.641
   97    HA   ALA  10           HA       ALA  10 -12.340  -3.940   4.820
   98    HB1  ALA  10          1HB       ALA  10 -11.633  -4.176   6.944
   99    HB2  ALA  10          2HB       ALA  10 -10.593  -5.505   6.380
  100    HB3  ALA  10          3HB       ALA  10  -9.946  -3.849   6.478
  101    H    TYR  11           H        TYR  11 -12.174  -1.841   4.170
  102    HA   TYR  11           HA       TYR  11  -9.499  -0.934   3.342
  103    HB2  TYR  11          1HB       TYR  11 -10.604   0.593   1.830
  104    HB3  TYR  11          2HB       TYR  11 -11.027  -1.100   1.475
  105    HD1  TYR  11          1HD       TYR  11 -12.286   2.145   2.658
  106    HD2  TYR  11          2HD       TYR  11 -13.297  -1.924   1.878
  107    HE1  TYR  11          1HE       TYR  11 -14.691   2.724   2.797
  108    HE2  TYR  11          2HE       TYR  11 -15.701  -1.363   2.015
  109    HH   TYR  11           HH       TYR  11 -17.246   0.276   2.349
  110    H    LYS  12           H        LYS  12  -8.937   1.286   3.846
  111    HA   LYS  12           HA       LYS  12 -10.681   2.482   5.884
  112    HB2  LYS  12          1HB       LYS  12  -7.660   2.310   5.747
  113    HB3  LYS  12          2HB       LYS  12  -8.529   3.436   6.815
  114    HG2  LYS  12          1HG       LYS  12  -9.664   1.430   7.848
  115    HG3  LYS  12          2HG       LYS  12  -8.554   0.404   6.908
  116    HD2  LYS  12          1HD       LYS  12  -6.630   1.397   8.007
  117    HD3  LYS  12          2HD       LYS  12  -7.677   2.551   8.867
  118    HE2  LYS  12          1HE       LYS  12  -8.804   0.644   9.984
  119    HE3  LYS  12          2HE       LYS  12  -7.673  -0.466   9.178
  120    HZ1  LYS  12          1HZ       LYS  12  -6.966   0.054  11.413
  121    HZ2  LYS  12          2HZ       LYS  12  -5.873   0.637  10.324
  122    H    THR  13           H        THR  13 -10.606   4.855   5.974
  123    HA   THR  13           HA       THR  13 -10.480   5.924   3.309
  124    HB   THR  13           HB       THR  13 -11.018   7.270   6.001
  125    HG1  THR  13          1HG       THR  13 -13.228   7.052   5.308
  126   HG21  THR  13          1HG2      THR  13 -12.069   9.040   4.637
  127   HG22  THR  13          2HG2      THR  13 -10.346   8.854   4.227
  128   HG23  THR  13          3HG2      THR  13 -11.594   8.179   3.155
  129    H    CYS  14           H        CYS  14  -8.977   7.218   2.380
  130    HA   CYS  14           HA       CYS  14  -6.421   7.191   3.577
  131    HB2  CYS  14          1HB       CYS  14  -7.844   8.521   1.162
  132    HB3  CYS  14          2HB       CYS  14  -6.079   8.628   1.368
  133    HA   PRO  15           HA       PRO  15  -6.614  11.125   5.564
  134    HB2  PRO  15          1HB       PRO  15  -3.997  11.800   5.763
  135    HB3  PRO  15          2HB       PRO  15  -4.653  10.505   6.773
  136    HG2  PRO  15          1HG       PRO  15  -3.184  10.295   4.122
  137    HG3  PRO  15          2HG       PRO  15  -2.939   9.358   5.603
  138    HD2  PRO  15          1HD       PRO  15  -4.427   8.381   3.509
  139    HD3  PRO  15          2HD       PRO  15  -4.803   7.959   5.184
  140    H    GLU  16           H        GLU  16  -6.433  13.418   5.242
  141    HA   GLU  16           HA       GLU  16  -6.918  14.061   2.617
  142    HB2  GLU  16          1HB       GLU  16  -7.602  15.400   4.546
  143    HB3  GLU  16          2HB       GLU  16  -5.899  15.781   4.901
  144    HG2  GLU  16          1HG       GLU  16  -5.774  17.073   2.715
  145    HG3  GLU  16          2HG       GLU  16  -7.458  16.553   2.469
  146    HE2  GLU  16           HE       GLU  16  -7.499  19.828   4.047
  147    H    GLY  17           H        GLY  17  -5.651  14.699   0.876
  148    HA2  GLY  17          1HA       GLY  17  -3.760  15.704  -0.064
  149    HA3  GLY  17          2HA       GLY  17  -2.832  15.343   1.378
  150    H    LYS  18           H        LYS  18  -4.174  12.509   1.359
  151    HA   LYS  18           HA       LYS  18  -2.268  11.361  -0.521
  152    HB2  LYS  18          1HB       LYS  18  -3.994  10.216   1.693
  153    HB3  LYS  18          2HB       LYS  18  -2.983   9.225   0.616
  154    HG2  LYS  18          1HG       LYS  18  -1.941   9.680   2.846
  155    HG3  LYS  18          2HG       LYS  18  -0.968  10.236   1.463
  156    HD2  LYS  18          1HD       LYS  18  -1.568  12.506   1.821
  157    HD3  LYS  18          2HD       LYS  18  -2.877  12.061   2.940
  158    HE2  LYS  18          1HE       LYS  18  -0.943  12.947   4.155
  159    HE3  LYS  18          2HE       LYS  18  -1.240  11.241   4.561
  160    HZ1  LYS  18          1HZ       LYS  18   1.093  11.675   4.193
  161    HZ2  LYS  18          2HZ       LYS  18   0.523  10.641   3.042
  162    H    ASN  19           H        ASN  19  -2.980   9.568  -1.968
  163    HA   ASN  19           HA       ASN  19  -5.711   9.816  -2.791
  164    HB2  ASN  19          1HB       ASN  19  -4.595  11.941  -3.885
  165    HB3  ASN  19          2HB       ASN  19  -3.507  10.632  -4.410
  166   HD21  ASN  19          1HD2      ASN  19  -6.891  11.511  -6.432
  167   HD22  ASN  19          2HD2      ASN  19  -6.403  12.354  -5.000
  168    H    LEU  20           H        LEU  20  -2.387   8.589  -3.023
  169    HA   LEU  20           HA       LEU  20  -3.167   6.530  -4.923
  170    HB2  LEU  20          1HB       LEU  20  -0.634   7.021  -3.489
  171    HB3  LEU  20          2HB       LEU  20  -0.721   6.009  -4.950
  172    HG   LEU  20           HG       LEU  20  -0.979   9.029  -4.736
  173   HD11  LEU  20          1HD1      LEU  20   0.930   8.985  -6.364
  174   HD12  LEU  20          2HD1      LEU  20   1.338   8.118  -4.865
  175   HD13  LEU  20          3HD1      LEU  20   0.898   7.207  -6.329
  176   HD21  LEU  20          1HD2      LEU  20  -1.433   9.042  -7.165
  177   HD22  LEU  20          2HD2      LEU  20  -1.514   7.263  -7.140
  178   HD23  LEU  20          3HD2      LEU  20  -2.707   8.222  -6.232
  179    H    CYS  21           H        CYS  21  -2.883   4.244  -4.443
  180    HA   CYS  21           HA       CYS  21  -2.916   3.715  -1.563
  181    HB2  CYS  21          1HB       CYS  21  -3.981   2.026  -3.835
  182    HB3  CYS  21          2HB       CYS  21  -3.994   1.573  -2.141
  183    H    TYR  22           H        TYR  22  -1.296   2.369  -0.716
  184    HA   TYR  22           HA       TYR  22   0.672   1.406  -2.682
  185    HB2  TYR  22          1HB       TYR  22   2.413   2.095  -1.320
  186    HB3  TYR  22          2HB       TYR  22   1.267   3.458  -1.319
  187    HD1  TYR  22          1HD       TYR  22   2.661   0.687   0.696
  188    HD2  TYR  22          2HD       TYR  22   0.127   4.117   0.703
  189    HE1  TYR  22          1HE       TYR  22   2.600   0.628   3.172
  190    HE2  TYR  22          2HE       TYR  22   0.056   4.073   3.173
  191    HH   TYR  22           HH       TYR  22   0.756   3.021   5.068
  192    H    LYS  23           H        LYS  23   1.741  -0.590  -2.208
  193    HA   LYS  23           HA       LYS  23   0.956  -1.845   0.319
  194    HB2  LYS  23          1HB       LYS  23   0.910  -4.016  -0.818
  195    HB3  LYS  23          2HB       LYS  23  -0.343  -2.911  -1.432
  196    HG2  LYS  23          1HG       LYS  23   0.983  -2.453  -3.423
  197    HG3  LYS  23          2HG       LYS  23   2.312  -3.459  -2.798
  198    HD2  LYS  23          1HD       LYS  23   0.810  -4.557  -4.529
  199    HD3  LYS  23          2HD       LYS  23   1.037  -5.454  -3.008
  200    HE2  LYS  23          1HE       LYS  23  -1.102  -4.639  -2.173
  201    HE3  LYS  23          2HE       LYS  23  -1.323  -3.656  -3.639
  202    HZ1  LYS  23          1HZ       LYS  23  -2.552  -5.717  -3.756
  203    HZ2  LYS  23          2HZ       LYS  23  -1.379  -5.690  -4.917
  204    H    MET  24           H        MET  24   2.589  -3.226   1.245
  205    HA   MET  24           HA       MET  24   5.209  -2.576   0.132
  206    HB2  MET  24          1HB       MET  24   4.294  -2.961   2.990
  207    HB3  MET  24          2HB       MET  24   5.997  -2.787   2.503
  208    HG2  MET  24          1HG       MET  24   5.561  -0.545   1.663
  209    HG3  MET  24          2HG       MET  24   3.830  -0.716   2.040
  210    HE1  MET  24          1HE       MET  24   7.097  -0.690   5.330
  211    HE2  MET  24          2HE       MET  24   6.747  -2.089   4.285
  212    HE3  MET  24          3HE       MET  24   7.471  -0.617   3.590
  213    H    PHE  25           H        PHE  25   6.712  -4.238  -0.155
  214    HA   PHE  25           HA       PHE  25   5.851  -6.882   0.789
  215    HB2  PHE  25          1HB       PHE  25   7.604  -5.949  -1.563
  216    HB3  PHE  25          2HB       PHE  25   7.355  -7.636  -1.161
  217    HD1  PHE  25          1HD       PHE  25   5.755  -4.609  -2.461
  218    HD2  PHE  25          2HD       PHE  25   5.309  -8.759  -1.727
  219    HE1  PHE  25          1HE       PHE  25   3.695  -4.644  -3.915
  220    HE2  PHE  25          2HE       PHE  25   3.256  -8.799  -3.172
  221    HZ   PHE  25           HZ       PHE  25   2.475  -6.743  -4.250
  222    H    MET  26           H        MET  26   7.687  -8.401   1.361
  223    HA   MET  26           HA       MET  26  10.138  -6.921   1.933
  224    HB2  MET  26          1HB       MET  26   9.020  -9.464   3.134
  225    HB3  MET  26          2HB       MET  26  10.641  -8.819   3.484
  226    HG2  MET  26          1HG       MET  26   9.644  -6.796   4.433
  227    HG3  MET  26          2HG       MET  26   8.017  -7.407   4.055
  228    HE1  MET  26          1HE       MET  26   8.164  -7.639   7.991
  229    HE2  MET  26          2HE       MET  26   8.905  -6.385   6.966
  230    HE3  MET  26          3HE       MET  26   7.275  -6.996   6.588
  231    H    MET  27           H        MET  27  12.167  -7.838   1.256
  232    HA   MET  27           HA       MET  27  12.109  -8.751  -1.272
  233    HB2  MET  27          1HB       MET  27  14.154  -8.977   0.925
  234    HB3  MET  27          2HB       MET  27  14.496  -9.575  -0.717
  235    HG2  MET  27          1HG       MET  27  13.777  -6.726   0.042
  236    HG3  MET  27          2HG       MET  27  15.404  -7.318  -0.371
  237    HE1  MET  27          1HE       MET  27  15.116  -8.137  -4.163
  238    HE2  MET  27          2HE       MET  27  16.204  -7.939  -2.766
  239    HE3  MET  27          3HE       MET  27  14.995  -9.246  -2.776
  240    H    SER  28           H        SER  28  11.976 -10.657   1.742
  241    HA   SER  28           HA       SER  28  12.352 -13.146   0.565
  242    HB2  SER  28          1HB       SER  28  12.450 -12.771   2.968
  243    HB3  SER  28          2HB       SER  28  10.736 -12.296   2.989
  244    HG   SER  28           HG       SER  28  11.065 -14.468   3.640
  245    H    ASP  29           H        ASP  29   9.243 -11.577   1.656
  246    HA   ASP  29           HA       ASP  29   7.854 -13.460  -0.023
  247    HB2  ASP  29          1HB       ASP  29   7.146 -13.049   2.415
  248    HB3  ASP  29          2HB       ASP  29   6.839 -11.398   1.823
  249    HD2  ASP  29           HD       ASP  29   3.712 -13.291   1.655
  250    H    LEU  30           H        LEU  30   8.498 -12.397  -2.100
  251    HA   LEU  30           HA       LEU  30   7.571  -9.726  -2.583
  252    HB2  LEU  30          1HB       LEU  30   8.869 -11.929  -3.946
  253    HB3  LEU  30          2HB       LEU  30   8.085 -10.807  -5.081
  254    HG   LEU  30           HG       LEU  30   9.695  -9.243  -4.834
  255   HD11  LEU  30          1HD1      LEU  30  10.704  -8.629  -2.620
  256   HD12  LEU  30          2HD1      LEU  30   8.928  -8.695  -2.526
  257   HD13  LEU  30          3HD1      LEU  30   9.904 -10.038  -1.883
  258   HD21  LEU  30          1HD2      LEU  30  11.921 -10.118  -4.212
  259   HD22  LEU  30          2HD2      LEU  30  11.140 -11.557  -3.510
  260   HD23  LEU  30          3HD2      LEU  30  11.011 -11.235  -5.256
  261    H    THR  31           H        THR  31   6.159 -12.867  -2.423
  262    HA   THR  31           HA       THR  31   4.383 -12.572  -4.643
  263    HB   THR  31           HB       THR  31   4.339 -14.474  -2.248
  264    HG1  THR  31          1HG       THR  31   5.265 -15.926  -3.812
  265   HG21  THR  31          1HG2      THR  31   2.874 -15.865  -3.669
  266   HG22  THR  31          2HG2      THR  31   2.138 -14.275  -3.356
  267   HG23  THR  31          3HG2      THR  31   2.900 -14.609  -4.929
  268    H    ILE  32           H        ILE  32   4.132 -12.150  -1.074
  269    HA   ILE  32           HA       ILE  32   1.507 -10.935  -1.572
  270    HB   ILE  32           HB       ILE  32   2.351 -12.813   0.682
  271   HG12  ILE  32          1HG1      ILE  32   1.686 -13.905  -1.357
  272   HG13  ILE  32          2HG1      ILE  32   0.532 -14.185  -0.032
  273   HG21  ILE  32          1HG2      ILE  32   0.110 -12.402   1.640
  274   HG22  ILE  32          2HG2      ILE  32   1.069 -10.905   1.591
  275   HG23  ILE  32          3HG2      ILE  32  -0.205 -11.185   0.382
  276   HD11  ILE  32          1HD1      ILE  32  -0.639 -13.807  -2.166
  277   HD12  ILE  32          2HD1      ILE  32  -0.991 -12.508  -1.001
  278   HD13  ILE  32          3HD1      ILE  32   0.163 -12.229  -2.327
  279    HA   PRO  33           HA       PRO  33   3.467  -7.643   0.503
  280    HB2  PRO  33          1HB       PRO  33   1.458  -5.812   0.438
  281    HB3  PRO  33          2HB       PRO  33   2.379  -6.179  -1.027
  282    HG2  PRO  33          1HG       PRO  33  -0.287  -7.311  -0.118
  283    HG3  PRO  33          2HG       PRO  33   0.187  -6.737  -1.721
  284    HD2  PRO  33          1HD       PRO  33   0.185  -9.412  -1.093
  285    HD3  PRO  33          2HD       PRO  33   1.348  -8.737  -2.241
  286    H    VAL  34           H        VAL  34   3.244  -6.262   2.492
  287    HA   VAL  34           HA       VAL  34   2.086  -8.170   4.406
  288    HB   VAL  34           HB       VAL  34   3.998  -7.600   5.887
  289   HG11  VAL  34          1HG1      VAL  34   5.789  -8.713   4.596
  290   HG12  VAL  34          2HG1      VAL  34   4.223  -9.522   4.349
  291   HG13  VAL  34          3HG1      VAL  34   4.874  -8.441   3.093
  292   HG21  VAL  34          1HG2      VAL  34   5.883  -6.291   5.049
  293   HG22  VAL  34          2HG2      VAL  34   4.972  -5.932   3.563
  294   HG23  VAL  34          3HG2      VAL  34   4.389  -5.331   5.134
  295    H    LYS  35           H        LYS  35   2.341  -4.874   3.277
  296    HA   LYS  35           HA       LYS  35   0.366  -4.159   5.268
  297    HB2  LYS  35          1HB       LYS  35   3.028  -2.778   4.893
  298    HB3  LYS  35          2HB       LYS  35   1.608  -1.937   5.557
  299    HG2  LYS  35          1HG       LYS  35   1.548  -3.894   7.271
  300    HG3  LYS  35          2HG       LYS  35   3.228  -4.180   6.758
  301    HD2  LYS  35          1HD       LYS  35   3.459  -2.760   8.608
  302    HD3  LYS  35          2HD       LYS  35   3.584  -1.662   7.212
  303    HE2  LYS  35          1HE       LYS  35   1.293  -0.967   7.471
  304    HE3  LYS  35          2HE       LYS  35   1.014  -2.192   8.729
  305    HZ1  LYS  35          1HZ       LYS  35   1.365  -0.013   9.674
  306    HZ2  LYS  35          2HZ       LYS  35   2.587  -1.026  10.122
  307    H    ARG  36           H        ARG  36  -1.092  -2.582   4.517
  308    HA   ARG  36           HA       ARG  36  -0.400  -1.340   2.005
  309    HB2  ARG  36          1HB       ARG  36  -2.924  -2.899   2.389
  310    HB3  ARG  36          2HB       ARG  36  -2.570  -1.814   1.024
  311    HG2  ARG  36          1HG       ARG  36  -1.908  -3.735   0.024
  312    HG3  ARG  36          2HG       ARG  36  -0.400  -3.414   0.913
  313    HD2  ARG  36          1HD       ARG  36  -1.025  -5.707   1.115
  314    HD3  ARG  36          2HD       ARG  36  -1.156  -4.888   2.690
  315    HE   ARG  36           HE       ARG  36  -3.598  -5.320   2.587
  316   HH11  ARG  36          1HH       ARG  36  -3.448  -7.054  -0.948
  317   HH21  ARG  36          1HH2      ARG  36  -5.257  -6.313   2.046
  318   HH22  ARG  36          2HH2      ARG  36  -5.329  -7.137   0.501
  319    H    GLY  37           H        GLY  37  -1.590   0.676   1.627
  320    HA2  GLY  37          1HA       GLY  37  -3.602   1.613   3.385
  321    HA3  GLY  37          2HA       GLY  37  -2.033   2.179   3.922
  322    H    CYS  38           H        CYS  38  -2.924   4.370   3.394
  323    HA   CYS  38           HA       CYS  38  -3.022   4.861   0.518
  324    HB2  CYS  38          1HB       CYS  38  -3.868   6.691   2.770
  325    HB3  CYS  38          2HB       CYS  38  -4.115   6.952   1.054
  326    H    ILE  39           H        ILE  39  -1.714   6.661  -0.353
  327    HA   ILE  39           HA       ILE  39  -0.178   8.220   1.476
  328    HB   ILE  39           HB       ILE  39   1.279   6.149   1.120
  329   HG12  ILE  39          1HG1      ILE  39   2.566   8.556  -0.093
  330   HG13  ILE  39          2HG1      ILE  39   2.009   8.561   1.596
  331   HG21  ILE  39          1HG2      ILE  39   2.400   5.943  -1.072
  332   HG22  ILE  39          2HG2      ILE  39   0.642   5.721  -1.230
  333   HG23  ILE  39          3HG2      ILE  39   1.391   7.260  -1.714
  334   HD11  ILE  39          1HD1      ILE  39   4.400   7.987   1.451
  335   HD12  ILE  39          2HD1      ILE  39   3.449   6.620   2.078
  336   HD13  ILE  39          3HD1      ILE  39   4.008   6.616   0.389
  337    H    ASP  40           H        ASP  40   1.008   9.993   0.273
  338    HA   ASP  40           HA       ASP  40  -0.697  10.774  -1.900
  339    HB2  ASP  40          1HB       ASP  40   0.467  13.036  -1.590
  340    HB3  ASP  40          2HB       ASP  40  -0.409  12.261  -0.247
  341    HD2  ASP  40           HD       ASP  40   2.965  13.427   0.811
  342    H    VAL  41           H        VAL  41   2.837  10.369  -1.128
  343    HA   VAL  41           HA       VAL  41   3.355  10.299  -4.020
  344    HB   VAL  41           HB       VAL  41   5.199  11.142  -1.736
  345   HG11  VAL  41          1HG1      VAL  41   6.786  11.733  -3.537
  346   HG12  VAL  41          2HG1      VAL  41   6.408   9.994  -3.560
  347   HG13  VAL  41          3HG1      VAL  41   5.653  11.086  -4.747
  348   HG21  VAL  41          1HG2      VAL  41   5.110  13.363  -2.750
  349   HG22  VAL  41          2HG2      VAL  41   3.917  12.774  -3.932
  350   HG23  VAL  41          3HG2      VAL  41   3.509  12.815  -2.200
  351    H    CYS  42           H        CYS  42   4.172   8.425  -4.840
  352    HA   CYS  42           HA       CYS  42   4.228   6.193  -3.123
  353    HB2  CYS  42          1HB       CYS  42   3.480   6.098  -5.457
  354    HB3  CYS  42          2HB       CYS  42   5.104   6.459  -6.007
  355    HA   PRO  43           HA       PRO  43   8.435   6.760  -2.002
  356    HB2  PRO  43          1HB       PRO  43   8.706   4.694  -0.242
  357    HB3  PRO  43          2HB       PRO  43   7.823   6.157   0.216
  358    HG2  PRO  43          1HG       PRO  43   6.742   3.527  -0.840
  359    HG3  PRO  43          2HG       PRO  43   6.132   4.530   0.483
  360    HD2  PRO  43          1HD       PRO  43   5.009   4.608  -2.027
  361    HD3  PRO  43          2HD       PRO  43   5.044   6.036  -0.984
  362    H    LYS  44           H        LYS  44  10.464   6.153  -2.663
  363    HA   LYS  44           HA       LYS  44  10.428   4.309  -4.805
  364    HB2  LYS  44          1HB       LYS  44  12.669   5.621  -3.241
  365    HB3  LYS  44          2HB       LYS  44  12.914   4.636  -4.702
  366    HG2  LYS  44          1HG       LYS  44  11.581   6.239  -6.010
  367    HG3  LYS  44          2HG       LYS  44  11.330   7.224  -4.548
  368    HD2  LYS  44          1HD       LYS  44  13.743   7.611  -4.372
  369    HD3  LYS  44          2HD       LYS  44  14.023   6.587  -5.800
  370    HE2  LYS  44          1HE       LYS  44  12.702   8.137  -7.175
  371    HE3  LYS  44          2HE       LYS  44  12.417   9.161  -5.749
  372    HZ1  LYS  44          1HZ       LYS  44  14.215   9.999  -7.101
  373    HZ2  LYS  44          2HZ       LYS  44  14.787   9.534  -5.625
  374    H    ASN  45           H        ASN  45  11.868   2.355  -4.949
  375    HA   ASN  45           HA       ASN  45  11.014   0.678  -2.864
  376    HB2  ASN  45          1HB       ASN  45  12.769  -0.122  -5.298
  377    HB3  ASN  45          2HB       ASN  45  12.089  -0.962  -3.884
  378   HD21  ASN  45          1HD2      ASN  45   9.906  -0.972  -7.036
  379   HD22  ASN  45          2HD2      ASN  45  11.628  -1.077  -6.869
  380    H    SER  46           H        SER  46  12.340  -0.442  -1.284
  381    HA   SER  46           HA       SER  46  15.008   0.701  -1.025
  382    HB2  SER  46          1HB       SER  46  14.823   0.202   1.353
  383    HB3  SER  46          2HB       SER  46  13.423   1.157   0.815
  384    HG   SER  46           HG       SER  46  12.230  -0.780   0.749
  385    H    LEU  47           H        LEU  47  16.414  -1.020   0.464
  386    HA   LEU  47           HA       LEU  47  16.743  -3.205  -1.347
  387    HB2  LEU  47          1HB       LEU  47  17.963  -2.383   1.213
  388    HB3  LEU  47          2HB       LEU  47  18.671  -3.745   0.315
  389    HG   LEU  47           HG       LEU  47  18.510  -0.849  -0.609
  390   HD11  LEU  47          1HD1      LEU  47  21.014  -0.944  -0.459
  391   HD12  LEU  47          2HD1      LEU  47  20.258  -1.262   1.121
  392   HD13  LEU  47          3HD1      LEU  47  20.898  -2.611   0.152
  393   HD21  LEU  47          1HD2      LEU  47  19.832  -1.601  -2.556
  394   HD22  LEU  47          2HD2      LEU  47  19.687  -3.280  -1.985
  395   HD23  LEU  47          3HD2      LEU  47  18.233  -2.378  -2.471
  396    H    LEU  48           H        LEU  48  15.067  -2.619   1.673
  397    HA   LEU  48           HA       LEU  48  15.156  -5.454   2.352
  398    HB2  LEU  48          1HB       LEU  48  14.175  -3.005   3.682
  399    HB3  LEU  48          2HB       LEU  48  14.056  -4.567   4.525
  400    HG   LEU  48           HG       LEU  48  16.603  -3.108   3.724
  401   HD11  LEU  48          1HD1      LEU  48  16.986  -3.000   6.201
  402   HD12  LEU  48          2HD1      LEU  48  15.474  -2.180   5.745
  403   HD13  LEU  48          3HD1      LEU  48  15.423  -3.808   6.462
  404   HD21  LEU  48          1HD2      LEU  48  17.801  -4.943   4.865
  405   HD22  LEU  48          2HD2      LEU  48  16.250  -5.788   5.093
  406   HD23  LEU  48          3HD2      LEU  48  16.874  -5.502   3.451
  407    H    VAL  49           H        VAL  49  12.846  -2.745   1.714
  408    HA   VAL  49           HA       VAL  49  10.797  -4.805   1.278
  409    HB   VAL  49           HB       VAL  49   9.136  -3.099   2.113
  410   HG11  VAL  49          1HG1      VAL  49   9.647  -3.397   4.514
  411   HG12  VAL  49          2HG1      VAL  49   9.945  -4.897   3.605
  412   HG13  VAL  49          3HG1      VAL  49  11.311  -3.871   4.102
  413   HG21  VAL  49          1HG2      VAL  49   9.935  -1.201   3.429
  414   HG22  VAL  49          2HG2      VAL  49  11.611  -1.596   2.976
  415   HG23  VAL  49          3HG2      VAL  49  10.446  -1.097   1.727
  416    H    LYS  50           H        LYS  50   9.329  -4.413  -0.447
  417    HA   LYS  50           HA       LYS  50  10.266  -2.318  -2.271
  418    HB2  LYS  50          1HB       LYS  50  10.381  -4.591  -3.141
  419    HB3  LYS  50          2HB       LYS  50   8.674  -4.860  -2.716
  420    HG2  LYS  50          1HG       LYS  50   8.011  -3.122  -4.350
  421    HG3  LYS  50          2HG       LYS  50   9.721  -2.912  -4.798
  422    HD2  LYS  50          1HD       LYS  50   9.832  -5.244  -5.542
  423    HD3  LYS  50          2HD       LYS  50   8.139  -5.492  -5.052
  424    HE2  LYS  50          1HE       LYS  50   7.442  -3.750  -6.667
  425    HE3  LYS  50          2HE       LYS  50   9.134  -3.581  -7.188
  426    HZ1  LYS  50          1HZ       LYS  50   7.893  -5.022  -8.654
  427    HZ2  LYS  50          2HZ       LYS  50   9.079  -5.878  -7.891
  428    H    TYR  51           H        TYR  51   8.762  -0.887  -3.253
  429    HA   TYR  51           HA       TYR  51   6.198  -0.786  -1.806
  430    HB2  TYR  51          1HB       TYR  51   7.955   1.426  -2.873
  431    HB3  TYR  51          2HB       TYR  51   6.318   1.650  -2.209
  432    HD1  TYR  51          1HD       TYR  51   9.839   1.080  -1.416
  433    HD2  TYR  51          2HD       TYR  51   5.899   1.257   0.205
  434    HE1  TYR  51          1HE       TYR  51  10.793   1.249   0.864
  435    HE2  TYR  51          2HE       TYR  51   6.834   1.426   2.487
  436    HH   TYR  51           HH       TYR  51  10.356   1.429   3.086
  437    H    VAL  52           H        VAL  52   4.375  -0.945  -3.027
  438    HA   VAL  52           HA       VAL  52   4.606  -0.102  -5.830
  439    HB   VAL  52           HB       VAL  52   2.889  -2.361  -4.698
  440   HG11  VAL  52          1HG1      VAL  52   2.282  -2.764  -7.061
  441   HG12  VAL  52          2HG1      VAL  52   1.787  -1.136  -6.542
  442   HG13  VAL  52          3HG1      VAL  52   3.240  -1.346  -7.550
  443   HG21  VAL  52          1HG2      VAL  52   4.268  -3.841  -6.069
  444   HG22  VAL  52          2HG2      VAL  52   5.296  -2.460  -6.522
  445   HG23  VAL  52          3HG2      VAL  52   5.223  -2.998  -4.827
  446    H    CYS  53           H        CYS  53   3.162   1.447  -6.462
  447    HA   CYS  53           HA       CYS  53   0.949   1.949  -4.606
  448    HB2  CYS  53          1HB       CYS  53   2.315   4.052  -6.284
  449    HB3  CYS  53          2HB       CYS  53   1.111   4.293  -5.032
  450    H    CYS  54           H        CYS  54  -1.044   2.783  -5.697
  451    HA   CYS  54           HA       CYS  54  -1.004   2.826  -8.569
  452    HB2  CYS  54          1HB       CYS  54  -3.062   1.316  -8.643
  453    HB3  CYS  54          2HB       CYS  54  -1.482   0.567  -8.512
  454    H    ASN  55           H        ASN  55  -3.028   3.934  -9.385
  455    HA   ASN  55           HA       ASN  55  -3.455   5.916  -7.311
  456    HB2  ASN  55          1HB       ASN  55  -3.430   7.633  -9.186
  457    HB3  ASN  55          2HB       ASN  55  -2.184   6.367  -9.063
  458   HD21  ASN  55          1HD2      ASN  55  -3.293   6.886 -12.604
  459   HD22  ASN  55          2HD2      ASN  55  -2.772   7.955 -11.343
  460    H    THR  56           H        THR  56  -5.162   3.486  -7.643
  461    HA   THR  56           HA       THR  56  -7.686   4.939  -7.990
  462    HB   THR  56           HB       THR  56  -8.688   2.862  -8.960
  463    HG1  THR  56          1HG       THR  56  -7.196   1.239  -9.704
  464   HG21  THR  56          1HG2      THR  56  -7.685   3.038 -11.210
  465   HG22  THR  56          2HG2      THR  56  -7.905   4.647 -10.480
  466   HG23  THR  56          3HG2      THR  56  -6.290   3.901 -10.521
  467    H    ASP  57           H        ASP  57  -9.550   3.437  -7.051
  468    HA   ASP  57           HA       ASP  57  -8.757   3.412  -4.333
  469    HB2  ASP  57          1HB       ASP  57 -11.478   2.941  -5.672
  470    HB3  ASP  57          2HB       ASP  57 -11.060   2.801  -3.946
  471    HD2  ASP  57           HD       ASP  57 -11.622   6.387  -5.376
  472    H    ARG  58           H        ARG  58  -8.442   1.560  -3.009
  473    HA   ARG  58           HA       ARG  58  -8.207  -0.512  -2.431
  474    HB2  ARG  58          1HB       ARG  58 -10.722  -0.923  -3.998
  475    HB3  ARG  58          2HB       ARG  58 -10.021  -2.073  -2.836
  476    HG2  ARG  58          1HG       ARG  58 -10.244  -0.332  -1.063
  477    HG3  ARG  58          2HG       ARG  58 -11.078   0.708  -2.243
  478    HD2  ARG  58          1HD       ARG  58 -12.678  -0.328  -0.847
  479    HD3  ARG  58          2HD       ARG  58 -12.795  -1.029  -2.478
  480    HE   ARG  58           HE       ARG  58 -11.246  -2.767  -0.661
  481   HH11  ARG  58          1HH       ARG  58 -15.107  -3.405  -1.126
  482   HH21  ARG  58          1HH2      ARG  58 -11.893  -4.577  -0.084
  483   HH22  ARG  58          2HH2      ARG  58 -13.586  -5.002  -0.238
  484    H    CYS  59           H        CYS  59  -6.741   0.288  -4.820
  485    HA   CYS  59           HA       CYS  59  -7.012  -1.884  -6.688
  486    HB2  CYS  59          1HB       CYS  59  -5.192  -0.409  -7.798
  487    HB3  CYS  59          2HB       CYS  59  -6.549   0.596  -7.235
  488    H    ASN  60           H        ASN  60  -5.106  -0.889  -3.878
  489    HA   ASN  60           HA       ASN  60  -3.136  -2.920  -4.396
  490    HB2  ASN  60          1HB       ASN  60  -2.027  -2.053  -2.377
  491    HB3  ASN  60          2HB       ASN  60  -2.495  -0.698  -3.386
  492   HD21  ASN  60          1HD2      ASN  60  -2.007  -0.062  -0.915
  493   HD22  ASN  60          2HD2      ASN  60  -3.430   0.233   0.025
  Start of MODEL   14
    1    H1   MET   0          1H        MET   0 -11.475  11.084   3.002
    2    H2   MET   0          2H        MET   0 -12.562  11.693   2.168
    3    H    MET   0           H        MET   0 -12.439  10.156   2.257
    4    H3   MET   0          3H        MET   0 -12.480  10.203   2.322
    5    HA   MET   0           HA       MET   0 -11.336  11.717   0.280
    6    HB2  MET   0          1HB       MET   0  -9.304  10.254   1.985
    7    HB3  MET   0          2HB       MET   0  -8.969  11.024   0.416
    8    HG2  MET   0          1HG       MET   0  -9.939  12.481   2.893
    9    HG3  MET   0          2HG       MET   0  -8.237  12.377   2.383
   10    HE1  MET   0          1HE       MET   0  -8.154  14.433  -0.911
   11    HE2  MET   0          2HE       MET   0  -7.201  13.635   0.365
   12    HE3  MET   0          3HE       MET   0  -8.252  12.668  -0.700
   13    H    LEU   1           H        LEU   1  -9.255   9.599  -0.462
   14    HA   LEU   1           HA       LEU   1 -11.108   7.831  -1.725
   15    HB2  LEU   1          1HB       LEU   1  -8.168   7.976  -1.477
   16    HB3  LEU   1          2HB       LEU   1  -8.887   6.797  -2.598
   17    HG   LEU   1           HG       LEU   1  -9.084   9.828  -2.786
   18   HD11  LEU   1          1HD1      LEU   1  -7.735   9.521  -4.879
   19   HD12  LEU   1          2HD1      LEU   1  -6.858   8.925  -3.450
   20   HD13  LEU   1          3HD1      LEU   1  -7.654   7.774  -4.551
   21   HD21  LEU   1          1HD2      LEU   1 -10.228   9.422  -4.938
   22   HD22  LEU   1          2HD2      LEU   1 -10.197   7.674  -4.604
   23   HD23  LEU   1          3HD2      LEU   1 -11.125   8.764  -3.548
   24    H    LYS   2           H        LYS   2 -10.086   5.337  -1.737
   25    HA   LYS   2           HA       LYS   2  -9.852   4.596   1.088
   26    HB2  LYS   2          1HB       LYS   2 -11.323   2.639   0.540
   27    HB3  LYS   2          2HB       LYS   2 -12.144   4.218   0.571
   28    HG2  LYS   2          1HG       LYS   2 -12.065   4.301  -1.894
   29    HG3  LYS   2          2HG       LYS   2 -11.265   2.711  -1.916
   30    HD2  LYS   2          1HD       LYS   2 -13.229   1.705  -0.823
   31    HD3  LYS   2          2HD       LYS   2 -14.028   3.295  -0.795
   32    HE2  LYS   2          1HE       LYS   2 -13.897   3.367  -3.273
   33    HE3  LYS   2          2HE       LYS   2 -13.191   1.734  -3.258
   34    HZ1  LYS   2          1HZ       LYS   2 -15.557   1.677  -3.670
   35    HZ2  LYS   2          2HZ       LYS   2 -15.214   0.939  -2.235
   36    H    CYS   3           H        CYS   3  -8.283   3.090   1.493
   37    HA   CYS   3           HA       CYS   3  -7.301   1.618  -0.841
   38    HB2  CYS   3          1HB       CYS   3  -5.652   2.654   1.470
   39    HB3  CYS   3          2HB       CYS   3  -5.061   1.638   0.171
   40    H    ASN   4           H        ASN   4  -6.038  -0.461   0.036
   41    HA   ASN   4           HA       ASN   4  -8.072  -1.696   1.667
   42    HB2  ASN   4          1HB       ASN   4  -6.035  -3.069  -0.229
   43    HB3  ASN   4          2HB       ASN   4  -7.093  -3.652   1.080
   44   HD21  ASN   4          1HD2      ASN   4  -8.602  -3.528  -2.479
   45   HD22  ASN   4          2HD2      ASN   4  -6.962  -3.817  -2.001
   46    H    LYS   5           H        LYS   5  -7.550  -2.799   3.652
   47    HA   LYS   5           HA       LYS   5  -4.978  -2.262   4.801
   48    HB2  LYS   5          1HB       LYS   5  -7.320  -3.968   5.694
   49    HB3  LYS   5          2HB       LYS   5  -5.879  -3.618   6.678
   50    HG2  LYS   5          1HG       LYS   5  -6.438  -1.252   6.727
   51    HG3  LYS   5          2HG       LYS   5  -7.816  -1.525   5.634
   52    HD2  LYS   5          1HD       LYS   5  -8.647  -1.336   7.897
   53    HD3  LYS   5          2HD       LYS   5  -8.824  -3.022   7.355
   54    HE2  LYS   5          1HE       LYS   5  -6.771  -3.631   8.549
   55    HE3  LYS   5          2HE       LYS   5  -6.569  -1.944   9.075
   56    HZ1  LYS   5          1HZ       LYS   5  -7.576  -3.296  10.786
   57    HZ2  LYS   5          2HZ       LYS   5  -8.639  -2.140  10.279
   58    H    LEU   6           H        LEU   6  -3.921  -4.321   5.991
   59    HA   LEU   6           HA       LEU   6  -2.986  -6.148   4.167
   60    HB2  LEU   6          1HB       LEU   6  -1.990  -5.737   6.336
   61    HB3  LEU   6          2HB       LEU   6  -3.388  -6.409   7.149
   62    HG   LEU   6           HG       LEU   6  -2.900  -8.624   6.167
   63   HD11  LEU   6          1HD1      LEU   6  -0.559  -8.903   5.170
   64   HD12  LEU   6          2HD1      LEU   6  -1.818  -8.188   4.135
   65   HD13  LEU   6          3HD1      LEU   6  -0.596  -7.144   4.900
   66   HD21  LEU   6          1HD2      LEU   6  -1.800  -7.520   8.347
   67   HD22  LEU   6          2HD2      LEU   6  -1.459  -9.185   7.821
   68   HD23  LEU   6          3HD2      LEU   6  -0.316  -7.879   7.429
   69    H    VAL   7           H        VAL   7  -5.940  -6.272   6.237
   70    HA   VAL   7           HA       VAL   7  -6.795  -8.727   5.032
   71    HB   VAL   7           HB       VAL   7  -8.286  -6.624   6.670
   72   HG11  VAL   7          1HG1      VAL   7 -10.010  -8.372   6.957
   73   HG12  VAL   7          2HG1      VAL   7  -9.818  -7.938   5.243
   74   HG13  VAL   7          3HG1      VAL   7  -9.105  -9.445   5.863
   75   HG21  VAL   7          1HG2      VAL   7  -8.093  -8.228   8.504
   76   HG22  VAL   7          2HG2      VAL   7  -7.119  -9.295   7.464
   77   HG23  VAL   7          3HG2      VAL   7  -6.503  -7.688   7.918
   78    HA   PRO   8           HA       PRO   8  -7.869  -6.690   1.436
   79    HB2  PRO   8          1HB       PRO   8  -8.591  -8.816  -0.120
   80    HB3  PRO   8          2HB       PRO   8  -6.898  -8.540   0.313
   81    HG2  PRO   8          1HG       PRO   8  -8.939 -10.346   1.652
   82    HG3  PRO   8          2HG       PRO   8  -7.257 -10.694   1.229
   83    HD2  PRO   8          1HD       PRO   8  -7.950 -10.002   3.780
   84    HD3  PRO   8          2HD       PRO   8  -6.400  -9.496   3.097
   85    H    ILE   9           H        ILE   9 -10.108  -7.971   3.480
   86    HA   ILE   9           HA       ILE   9 -12.279  -7.057   1.726
   87    HB   ILE   9           HB       ILE   9 -13.766  -8.400   3.241
   88   HG12  ILE   9          1HG1      ILE   9 -11.226  -9.468   4.437
   89   HG13  ILE   9          2HG1      ILE   9 -12.219  -8.192   5.181
   90   HG21  ILE   9          1HG2      ILE   9 -13.043 -10.632   2.464
   91   HG22  ILE   9          2HG2      ILE   9 -12.882  -9.422   1.170
   92   HG23  ILE   9          3HG2      ILE   9 -11.441  -9.974   2.057
   93   HD11  ILE   9          1HD1      ILE   9 -12.728 -10.397   6.156
   94   HD12  ILE   9          2HD1      ILE   9 -14.134  -9.739   5.285
   95   HD13  ILE   9          3HD1      ILE   9 -13.141 -11.016   4.541
   96    H    ALA  10           H        ALA  10 -10.306  -5.536   3.556
   97    HA   ALA  10           HA       ALA  10 -12.426  -3.942   4.752
   98    HB1  ALA  10          1HB       ALA  10 -11.423  -5.589   6.464
   99    HB2  ALA  10          2HB       ALA  10  -9.933  -4.625   6.334
  100    HB3  ALA  10          3HB       ALA  10 -11.439  -3.865   6.905
  101    H    TYR  11           H        TYR  11 -12.096  -1.783   4.379
  102    HA   TYR  11           HA       TYR  11  -9.427  -1.056   3.370
  103    HB2  TYR  11          1HB       TYR  11 -10.529   0.598   1.994
  104    HB3  TYR  11          2HB       TYR  11 -11.097  -1.049   1.627
  105    HD1  TYR  11          1HD       TYR  11 -12.031   2.234   2.995
  106    HD2  TYR  11          2HD       TYR  11 -13.383  -1.728   2.182
  107    HE1  TYR  11          1HE       TYR  11 -14.370   2.971   3.336
  108    HE2  TYR  11          2HE       TYR  11 -15.724  -1.010   2.519
  109    HH   TYR  11           HH       TYR  11 -17.120   0.720   3.018
  110    H    LYS  12           H        LYS  12  -8.730   1.179   3.806
  111    HA   LYS  12           HA       LYS  12 -10.187   2.378   6.059
  112    HB2  LYS  12          1HB       LYS  12  -7.237   2.409   5.358
  113    HB3  LYS  12          2HB       LYS  12  -7.979   3.436   6.607
  114    HG2  LYS  12          1HG       LYS  12  -8.530   1.539   7.961
  115    HG3  LYS  12          2HG       LYS  12  -8.100   0.408   6.655
  116    HD2  LYS  12          1HD       LYS  12  -6.267   0.353   8.150
  117    HD3  LYS  12          2HD       LYS  12  -5.741   1.377   6.793
  118    HE2  LYS  12          1HE       LYS  12  -6.186   3.384   8.058
  119    HE3  LYS  12          2HE       LYS  12  -6.907   2.439   9.382
  120    HZ1  LYS  12          1HZ       LYS  12  -4.651   3.091   9.881
  121    HZ2  LYS  12          2HZ       LYS  12  -4.752   1.448   9.762
  122    H    THR  13           H        THR  13 -10.496   4.662   6.015
  123    HA   THR  13           HA       THR  13 -10.481   5.835   3.398
  124    HB   THR  13           HB       THR  13 -10.969   7.073   6.151
  125    HG1  THR  13          1HG       THR  13 -13.194   6.781   5.538
  126   HG21  THR  13          1HG2      THR  13 -12.145   8.834   4.881
  127   HG22  THR  13          2HG2      THR  13 -10.435   8.732   4.400
  128   HG23  THR  13          3HG2      THR  13 -11.696   8.036   3.356
  129    H    CYS  14           H        CYS  14  -9.068   7.234   2.470
  130    HA   CYS  14           HA       CYS  14  -6.460   7.173   3.547
  131    HB2  CYS  14          1HB       CYS  14  -7.654   8.598   1.170
  132    HB3  CYS  14          2HB       CYS  14  -5.957   8.691   1.585
  133    HA   PRO  15           HA       PRO  15  -6.574  11.077   5.608
  134    HB2  PRO  15          1HB       PRO  15  -3.975  11.764   5.782
  135    HB3  PRO  15          2HB       PRO  15  -4.567  10.382   6.715
  136    HG2  PRO  15          1HG       PRO  15  -3.177  10.403   4.012
  137    HG3  PRO  15          2HG       PRO  15  -2.861   9.372   5.414
  138    HD2  PRO  15          1HD       PRO  15  -4.414   8.535   3.286
  139    HD3  PRO  15          2HD       PRO  15  -4.669   7.935   4.929
  140    H    GLU  16           H        GLU  16  -6.451  13.370   5.339
  141    HA   GLU  16           HA       GLU  16  -6.981  14.073   2.732
  142    HB2  GLU  16          1HB       GLU  16  -7.692  15.335   4.705
  143    HB3  GLU  16          2HB       GLU  16  -6.000  15.757   5.059
  144    HG2  GLU  16          1HG       GLU  16  -5.932  17.113   2.911
  145    HG3  GLU  16          2HG       GLU  16  -7.599  16.549   2.662
  146    HE2  GLU  16           HE       GLU  16  -7.723  19.777   4.334
  147    H    GLY  17           H        GLY  17  -5.731  14.724   0.995
  148    HA2  GLY  17          1HA       GLY  17  -3.911  15.840   0.055
  149    HA3  GLY  17          2HA       GLY  17  -2.973  15.573   1.511
  150    H    LYS  18           H        LYS  18  -4.221  12.636   1.400
  151    HA   LYS  18           HA       LYS  18  -2.154  11.618  -0.393
  152    HB2  LYS  18          1HB       LYS  18  -3.842  10.420   1.813
  153    HB3  LYS  18          2HB       LYS  18  -2.865   9.422   0.710
  154    HG2  LYS  18          1HG       LYS  18  -1.744   9.862   2.892
  155    HG3  LYS  18          2HG       LYS  18  -0.824  10.454   1.488
  156    HD2  LYS  18          1HD       LYS  18  -1.458  12.713   1.902
  157    HD3  LYS  18          2HD       LYS  18  -2.700  12.221   3.078
  158    HE2  LYS  18          1HE       LYS  18  -0.687  13.137   4.176
  159    HE3  LYS  18          2HE       LYS  18  -0.995  11.443   4.620
  160    HZ1  LYS  18          1HZ       LYS  18   1.325  11.829   4.138
  161    HZ2  LYS  18          2HZ       LYS  18   0.682  10.789   3.030
  162    H    ASN  19           H        ASN  19  -2.675   9.898  -1.940
  163    HA   ASN  19           HA       ASN  19  -5.441  10.093  -2.799
  164    HB2  ASN  19          1HB       ASN  19  -4.041  11.893  -4.140
  165    HB3  ASN  19          2HB       ASN  19  -3.110  10.400  -4.416
  166   HD21  ASN  19          1HD2      ASN  19  -6.350  11.331  -6.656
  167   HD22  ASN  19          2HD2      ASN  19  -5.821  12.307  -5.327
  168    H    LEU  20           H        LEU  20  -2.143   8.629  -3.122
  169    HA   LEU  20           HA       LEU  20  -3.182   6.570  -4.863
  170    HB2  LEU  20          1HB       LEU  20  -0.522   7.027  -3.659
  171    HB3  LEU  20          2HB       LEU  20  -0.744   5.934  -5.044
  172    HG   LEU  20           HG       LEU  20  -1.034   8.962  -5.023
  173   HD11  LEU  20          1HD1      LEU  20   0.858   8.864  -6.667
  174   HD12  LEU  20          2HD1      LEU  20   1.315   8.132  -5.111
  175   HD13  LEU  20          3HD1      LEU  20   0.896   7.095  -6.494
  176   HD21  LEU  20          1HD2      LEU  20  -1.512   8.768  -7.438
  177   HD22  LEU  20          2HD2      LEU  20  -1.525   6.995  -7.275
  178   HD23  LEU  20          3HD2      LEU  20  -2.745   7.975  -6.428
  179    H    CYS  21           H        CYS  21  -2.853   4.259  -4.431
  180    HA   CYS  21           HA       CYS  21  -2.850   3.724  -1.553
  181    HB2  CYS  21          1HB       CYS  21  -4.001   2.106  -3.834
  182    HB3  CYS  21          2HB       CYS  21  -3.953   1.579  -2.162
  183    H    TYR  22           H        TYR  22  -1.198   2.428  -0.725
  184    HA   TYR  22           HA       TYR  22   0.722   1.425  -2.720
  185    HB2  TYR  22          1HB       TYR  22   2.492   2.159  -1.417
  186    HB3  TYR  22          2HB       TYR  22   1.336   3.513  -1.429
  187    HD1  TYR  22          1HD       TYR  22   2.854   0.858   0.633
  188    HD2  TYR  22          2HD       TYR  22   0.181   4.180   0.601
  189    HE1  TYR  22          1HE       TYR  22   2.852   0.870   3.111
  190    HE2  TYR  22          2HE       TYR  22   0.167   4.206   3.071
  191    HH   TYR  22           HH       TYR  22   0.953   3.241   4.979
  192    H    LYS  23           H        LYS  23   1.850  -0.531  -2.205
  193    HA   LYS  23           HA       LYS  23   1.069  -1.785   0.323
  194    HB2  LYS  23          1HB       LYS  23   1.014  -3.959  -0.819
  195    HB3  LYS  23          2HB       LYS  23  -0.252  -2.853  -1.402
  196    HG2  LYS  23          1HG       LYS  23   1.031  -2.385  -3.417
  197    HG3  LYS  23          2HG       LYS  23   2.379  -3.384  -2.823
  198    HD2  LYS  23          1HD       LYS  23   0.894  -4.514  -4.519
  199    HD3  LYS  23          2HD       LYS  23   1.074  -5.386  -2.978
  200    HE2  LYS  23          1HE       LYS  23  -1.070  -4.561  -2.207
  201    HE3  LYS  23          2HE       LYS  23  -1.240  -3.549  -3.659
  202    HZ1  LYS  23          1HZ       LYS  23  -2.505  -5.583  -3.838
  203    HZ2  LYS  23          2HZ       LYS  23  -1.307  -5.561  -4.972
  204    H    MET  24           H        MET  24   2.714  -3.047   1.309
  205    HA   MET  24           HA       MET  24   5.320  -2.528   0.101
  206    HB2  MET  24          1HB       MET  24   4.494  -2.806   2.999
  207    HB3  MET  24          2HB       MET  24   6.173  -2.616   2.438
  208    HG2  MET  24          1HG       MET  24   5.434  -0.430   1.380
  209    HG3  MET  24          2HG       MET  24   3.908  -0.612   2.275
  210    HE1  MET  24          1HE       MET  24   5.022  -0.352   5.994
  211    HE2  MET  24          2HE       MET  24   3.652  -0.393   4.856
  212    HE3  MET  24          3HE       MET  24   4.710  -1.816   5.031
  213    H    PHE  25           H        PHE  25   6.770  -4.238  -0.162
  214    HA   PHE  25           HA       PHE  25   5.868  -6.824   0.901
  215    HB2  PHE  25          1HB       PHE  25   7.696  -6.035  -1.450
  216    HB3  PHE  25          2HB       PHE  25   7.337  -7.692  -1.006
  217    HD1  PHE  25          1HD       PHE  25   5.367  -8.742  -1.742
  218    HD2  PHE  25          2HD       PHE  25   5.825  -4.563  -2.279
  219    HE1  PHE  25          1HE       PHE  25   3.341  -8.713  -3.243
  220    HE2  PHE  25          2HE       PHE  25   3.809  -4.528  -3.771
  221    HZ   PHE  25           HZ       PHE  25   2.589  -6.600  -4.235
  222    H    MET  26           H        MET  26   7.705  -8.366   1.482
  223    HA   MET  26           HA       MET  26  10.159  -6.888   2.050
  224    HB2  MET  26          1HB       MET  26   8.993  -9.354   3.364
  225    HB3  MET  26          2HB       MET  26  10.617  -8.707   3.704
  226    HG2  MET  26          1HG       MET  26   9.618  -6.621   4.525
  227    HG3  MET  26          2HG       MET  26   7.993  -7.256   4.173
  228    HE1  MET  26          1HE       MET  26   8.134  -7.259   8.121
  229    HE2  MET  26          2HE       MET  26   8.884  -6.071   7.027
  230    HE3  MET  26          3HE       MET  26   7.252  -6.692   6.683
  231    H    MET  27           H        MET  27  12.179  -7.863   1.441
  232    HA   MET  27           HA       MET  27  12.124  -8.917  -1.039
  233    HB2  MET  27          1HB       MET  27  14.164  -9.018   1.174
  234    HB3  MET  27          2HB       MET  27  14.507  -9.711  -0.429
  235    HG2  MET  27          1HG       MET  27  13.784  -6.823   0.149
  236    HG3  MET  27          2HG       MET  27  15.417  -7.435  -0.201
  237    HE1  MET  27          1HE       MET  27  15.198  -8.483  -3.938
  238    HE2  MET  27          2HE       MET  27  16.261  -8.191  -2.539
  239    HE3  MET  27          3HE       MET  27  15.060  -9.506  -2.487
  240    H    SER  28           H        SER  28  11.900 -10.631   2.076
  241    HA   SER  28           HA       SER  28  12.230 -13.199   1.117
  242    HB2  SER  28          1HB       SER  28  12.101 -12.654   3.482
  243    HB3  SER  28          2HB       SER  28  10.420 -12.104   3.293
  244    HG   SER  28           HG       SER  28  10.570 -14.231   4.128
  245    H    ASP  29           H        ASP  29   9.021 -11.702   1.960
  246    HA   ASP  29           HA       ASP  29   7.833 -13.533   0.091
  247    HB2  ASP  29          1HB       ASP  29   6.901 -13.227   2.461
  248    HB3  ASP  29          2HB       ASP  29   6.621 -11.557   1.910
  249    HD2  ASP  29           HD       ASP  29   3.554 -13.495   1.398
  250    H    LEU  30           H        LEU  30   8.554 -12.439  -1.919
  251    HA   LEU  30           HA       LEU  30   7.688  -9.751  -2.399
  252    HB2  LEU  30          1HB       LEU  30   9.028 -11.945  -3.722
  253    HB3  LEU  30          2HB       LEU  30   8.293 -10.823  -4.891
  254    HG   LEU  30           HG       LEU  30   9.939  -9.315  -4.622
  255   HD11  LEU  30          1HD1      LEU  30  10.736  -8.554  -2.368
  256   HD12  LEU  30          2HD1      LEU  30   8.959  -8.610  -2.441
  257   HD13  LEU  30          3HD1      LEU  30   9.858  -9.907  -1.618
  258   HD21  LEU  30          1HD2      LEU  30  12.087 -10.149  -3.731
  259   HD22  LEU  30          2HD2      LEU  30  11.231 -11.535  -3.013
  260   HD23  LEU  30          3HD2      LEU  30  11.272 -11.334  -4.780
  261    H    THR  31           H        THR  31   6.231 -12.887  -2.396
  262    HA   THR  31           HA       THR  31   4.568 -12.513  -4.683
  263    HB   THR  31           HB       THR  31   4.358 -14.444  -2.321
  264    HG1  THR  31          1HG       THR  31   5.340 -15.897  -3.849
  265   HG21  THR  31          1HG2      THR  31   2.946 -15.788  -3.837
  266   HG22  THR  31          2HG2      THR  31   2.226 -14.187  -3.544
  267   HG23  THR  31          3HG2      THR  31   3.067 -14.517  -5.077
  268    H    ILE  32           H        ILE  32   4.150 -12.106  -1.129
  269    HA   ILE  32           HA       ILE  32   1.567 -10.857  -1.746
  270    HB   ILE  32           HB       ILE  32   2.277 -12.760   0.534
  271   HG12  ILE  32          1HG1      ILE  32   1.694 -13.820  -1.553
  272   HG13  ILE  32          2HG1      ILE  32   0.491 -14.111  -0.275
  273   HG21  ILE  32          1HG2      ILE  32  -0.002 -12.326   1.387
  274   HG22  ILE  32          2HG2      ILE  32   0.977 -10.841   1.394
  275   HG23  ILE  32          3HG2      ILE  32  -0.241 -11.096   0.123
  276   HD11  ILE  32          1HD1      ILE  32  -0.599 -13.701  -2.447
  277   HD12  ILE  32          2HD1      ILE  32  -0.987 -12.414  -1.280
  278   HD13  ILE  32          3HD1      ILE  32   0.216 -12.125  -2.558
  279    HA   PRO  33           HA       PRO  33   3.451  -7.589   0.426
  280    HB2  PRO  33          1HB       PRO  33   1.411  -5.784   0.373
  281    HB3  PRO  33          2HB       PRO  33   2.366  -6.101  -1.082
  282    HG2  PRO  33          1HG       PRO  33  -0.296  -7.299  -0.251
  283    HG3  PRO  33          2HG       PRO  33   0.196  -6.676  -1.831
  284    HD2  PRO  33          1HD       PRO  33   0.226  -9.363  -1.280
  285    HD3  PRO  33          2HD       PRO  33   1.411  -8.639  -2.374
  286    H    VAL  34           H        VAL  34   3.220  -6.267   2.442
  287    HA   VAL  34           HA       VAL  34   2.069  -8.236   4.299
  288    HB   VAL  34           HB       VAL  34   3.953  -7.700   5.804
  289   HG11  VAL  34          1HG1      VAL  34   5.796  -8.675   4.474
  290   HG12  VAL  34          2HG1      VAL  34   4.262  -9.520   4.160
  291   HG13  VAL  34          3HG1      VAL  34   4.890  -8.347   2.979
  292   HG21  VAL  34          1HG2      VAL  34   5.802  -6.282   5.070
  293   HG22  VAL  34          2HG2      VAL  34   4.896  -5.867   3.595
  294   HG23  VAL  34          3HG2      VAL  34   4.273  -5.379   5.189
  295    H    LYS  35           H        LYS  35   2.337  -4.881   3.297
  296    HA   LYS  35           HA       LYS  35   0.303  -4.238   5.250
  297    HB2  LYS  35          1HB       LYS  35   2.992  -2.863   5.051
  298    HB3  LYS  35          2HB       LYS  35   1.555  -2.071   5.740
  299    HG2  LYS  35          1HG       LYS  35   1.443  -4.119   7.319
  300    HG3  LYS  35          2HG       LYS  35   3.119  -4.424   6.806
  301    HD2  LYS  35          1HD       LYS  35   3.353  -3.139   8.758
  302    HD3  LYS  35          2HD       LYS  35   3.562  -1.967   7.437
  303    HE2  LYS  35          1HE       LYS  35   1.306  -1.177   7.686
  304    HE3  LYS  35          2HE       LYS  35   0.927  -2.472   8.844
  305    HZ1  LYS  35          1HZ       LYS  35   1.348  -0.384   9.953
  306    HZ2  LYS  35          2HZ       LYS  35   2.505  -1.486  10.365
  307    H    ARG  36           H        ARG  36  -1.035  -2.490   4.580
  308    HA   ARG  36           HA       ARG  36  -0.302  -1.274   2.071
  309    HB2  ARG  36          1HB       ARG  36  -2.827  -2.839   2.429
  310    HB3  ARG  36          2HB       ARG  36  -2.516  -1.696   1.102
  311    HG2  ARG  36          1HG       ARG  36  -1.827  -3.547   0.005
  312    HG3  ARG  36          2HG       ARG  36  -0.318  -3.266   0.909
  313    HD2  ARG  36          1HD       ARG  36  -0.914  -5.564   1.010
  314    HD3  ARG  36          2HD       ARG  36  -1.090  -4.825   2.619
  315    HE   ARG  36           HE       ARG  36  -3.527  -5.278   2.437
  316   HH11  ARG  36          1HH       ARG  36  -3.257  -6.875  -1.155
  317   HH21  ARG  36          1HH2      ARG  36  -5.154  -6.274   1.817
  318   HH22  ARG  36          2HH2      ARG  36  -5.174  -7.042   0.241
  319    H    GLY  37           H        GLY  37  -1.438   0.768   1.696
  320    HA2  GLY  37          1HA       GLY  37  -3.421   1.737   3.493
  321    HA3  GLY  37          2HA       GLY  37  -1.828   2.296   3.962
  322    H    CYS  38           H        CYS  38  -2.796   4.476   3.429
  323    HA   CYS  38           HA       CYS  38  -2.898   4.931   0.548
  324    HB2  CYS  38          1HB       CYS  38  -3.747   6.444   3.127
  325    HB3  CYS  38          2HB       CYS  38  -4.045   7.093   1.495
  326    H    ILE  39           H        ILE  39  -1.623   6.743  -0.340
  327    HA   ILE  39           HA       ILE  39  -0.079   8.327   1.462
  328    HB   ILE  39           HB       ILE  39   1.375   6.254   1.144
  329   HG12  ILE  39          1HG1      ILE  39   2.655   8.639  -0.121
  330   HG13  ILE  39          2HG1      ILE  39   2.109   8.669   1.572
  331   HG21  ILE  39          1HG2      ILE  39   2.492   6.000  -1.047
  332   HG22  ILE  39          2HG2      ILE  39   0.734   5.775  -1.195
  333   HG23  ILE  39          3HG2      ILE  39   1.481   7.304  -1.714
  334   HD11  ILE  39          1HD1      ILE  39   4.502   8.098   1.417
  335   HD12  ILE  39          2HD1      ILE  39   3.556   6.739   2.072
  336   HD13  ILE  39          3HD1      ILE  39   4.103   6.710   0.379
  337    H    ASP  40           H        ASP  40   1.114  10.073   0.226
  338    HA   ASP  40           HA       ASP  40  -0.630  10.848  -1.915
  339    HB2  ASP  40          1HB       ASP  40   0.552  13.105  -1.647
  340    HB3  ASP  40          2HB       ASP  40  -0.286  12.341  -0.274
  341    HD2  ASP  40           HD       ASP  40   3.128  13.495   0.668
  342    H    VAL  41           H        VAL  41   2.916  10.410  -1.230
  343    HA   VAL  41           HA       VAL  41   3.361  10.315  -4.135
  344    HB   VAL  41           HB       VAL  41   5.276  11.132  -1.898
  345   HG11  VAL  41          1HG1      VAL  41   6.829  11.689  -3.740
  346   HG12  VAL  41          2HG1      VAL  41   6.420   9.957  -3.749
  347   HG13  VAL  41          3HG1      VAL  41   5.656  11.060  -4.920
  348   HG21  VAL  41          1HG2      VAL  41   5.203  13.353  -2.917
  349   HG22  VAL  41          2HG2      VAL  41   3.971  12.782  -4.068
  350   HG23  VAL  41          3HG2      VAL  41   3.607  12.835  -2.327
  351    H    CYS  42           H        CYS  42   4.171   8.440  -4.972
  352    HA   CYS  42           HA       CYS  42   4.188   6.198  -3.267
  353    HB2  CYS  42          1HB       CYS  42   3.436   6.104  -5.587
  354    HB3  CYS  42          2HB       CYS  42   5.050   6.485  -6.153
  355    HA   PRO  43           HA       PRO  43   8.403   6.699  -2.116
  356    HB2  PRO  43          1HB       PRO  43   8.629   4.578  -0.409
  357    HB3  PRO  43          2HB       PRO  43   7.805   6.061   0.092
  358    HG2  PRO  43          1HG       PRO  43   6.617   3.499  -1.015
  359    HG3  PRO  43          2HG       PRO  43   6.060   4.489   0.341
  360    HD2  PRO  43          1HD       PRO  43   4.899   4.678  -2.136
  361    HD3  PRO  43          2HD       PRO  43   5.027   6.087  -1.077
  362    H    LYS  44           H        LYS  44  10.404   6.089  -2.835
  363    HA   LYS  44           HA       LYS  44  10.317   4.234  -4.975
  364    HB2  LYS  44          1HB       LYS  44  12.590   5.573  -3.483
  365    HB3  LYS  44          2HB       LYS  44  12.803   4.575  -4.941
  366    HG2  LYS  44          1HG       LYS  44  11.431   6.156  -6.231
  367    HG3  LYS  44          2HG       LYS  44  11.206   7.153  -4.775
  368    HD2  LYS  44          1HD       LYS  44  13.616   7.565  -4.657
  369    HD3  LYS  44          2HD       LYS  44  13.876   6.523  -6.076
  370    HE2  LYS  44          1HE       LYS  44  12.515   8.041  -7.446
  371    HE3  LYS  44          2HE       LYS  44  12.249   9.082  -6.030
  372    HZ1  LYS  44          1HZ       LYS  44  14.013   9.918  -7.428
  373    HZ2  LYS  44          2HZ       LYS  44  14.617   9.479  -5.957
  374    H    ASN  45           H        ASN  45  11.815   2.303  -5.126
  375    HA   ASN  45           HA       ASN  45  11.001   0.615  -3.039
  376    HB2  ASN  45          1HB       ASN  45  12.783  -0.132  -5.470
  377    HB3  ASN  45          2HB       ASN  45  12.155  -0.994  -4.044
  378   HD21  ASN  45          1HD2      ASN  45   9.946  -1.109  -7.180
  379   HD22  ASN  45          2HD2      ASN  45  11.671  -1.130  -7.032
  380    H    SER  46           H        SER  46  12.342  -0.453  -1.438
  381    HA   SER  46           HA       SER  46  15.020   0.675  -1.228
  382    HB2  SER  46          1HB       SER  46  14.871   0.217   1.160
  383    HB3  SER  46          2HB       SER  46  13.467   1.173   0.633
  384    HG   SER  46           HG       SER  46  12.270  -0.771   0.602
  385    H    LEU  47           H        LEU  47  16.441  -1.034   0.248
  386    HA   LEU  47           HA       LEU  47  16.692  -3.270  -1.513
  387    HB2  LEU  47          1HB       LEU  47  17.973  -2.405   1.004
  388    HB3  LEU  47          2HB       LEU  47  18.638  -3.807   0.134
  389    HG   LEU  47           HG       LEU  47  18.517  -0.939  -0.876
  390   HD11  LEU  47          1HD1      LEU  47  21.019  -1.072  -0.755
  391   HD12  LEU  47          2HD1      LEU  47  20.281  -1.325   0.844
  392   HD13  LEU  47          3HD1      LEU  47  20.885  -2.716  -0.089
  393   HD21  LEU  47          1HD2      LEU  47  19.799  -1.774  -2.815
  394   HD22  LEU  47          2HD2      LEU  47  19.634  -3.433  -2.188
  395   HD23  LEU  47          3HD2      LEU  47  18.188  -2.520  -2.684
  396    H    LEU  48           H        LEU  48  15.133  -2.587   1.566
  397    HA   LEU  48           HA       LEU  48  15.204  -5.403   2.302
  398    HB2  LEU  48          1HB       LEU  48  14.265  -2.913   3.586
  399    HB3  LEU  48          2HB       LEU  48  14.164  -4.450   4.476
  400    HG   LEU  48           HG       LEU  48  16.695  -3.027   3.564
  401   HD11  LEU  48          1HD1      LEU  48  17.142  -2.840   6.027
  402   HD12  LEU  48          2HD1      LEU  48  15.623  -2.027   5.581
  403   HD13  LEU  48          3HD1      LEU  48  15.582  -3.630   6.354
  404   HD21  LEU  48          1HD2      LEU  48  17.913  -4.831   4.735
  405   HD22  LEU  48          2HD2      LEU  48  16.365  -5.660   5.031
  406   HD23  LEU  48          3HD2      LEU  48  16.948  -5.431   3.365
  407    H    VAL  49           H        VAL  49  12.886  -2.704   1.644
  408    HA   VAL  49           HA       VAL  49  10.827  -4.767   1.287
  409    HB   VAL  49           HB       VAL  49   9.182  -3.036   2.109
  410   HG11  VAL  49          1HG1      VAL  49   9.717  -3.300   4.507
  411   HG12  VAL  49          2HG1      VAL  49   9.995  -4.817   3.619
  412   HG13  VAL  49          3HG1      VAL  49  11.374  -3.792   4.084
  413   HG21  VAL  49          1HG2      VAL  49  10.010  -1.123   3.385
  414   HG22  VAL  49          2HG2      VAL  49  11.677  -1.537   2.921
  415   HG23  VAL  49          3HG2      VAL  49  10.502  -1.049   1.677
  416    H    LYS  50           H        LYS  50   9.322  -4.394  -0.416
  417    HA   LYS  50           HA       LYS  50  10.276  -2.381  -2.319
  418    HB2  LYS  50          1HB       LYS  50  10.346  -4.700  -3.090
  419    HB3  LYS  50          2HB       LYS  50   8.628  -4.903  -2.672
  420    HG2  LYS  50          1HG       LYS  50   8.029  -3.214  -4.378
  421    HG3  LYS  50          2HG       LYS  50   9.748  -3.062  -4.813
  422    HD2  LYS  50          1HD       LYS  50   9.807  -5.426  -5.465
  423    HD3  LYS  50          2HD       LYS  50   8.100  -5.607  -4.994
  424    HE2  LYS  50          1HE       LYS  50   7.465  -3.931  -6.688
  425    HE3  LYS  50          2HE       LYS  50   9.170  -3.784  -7.171
  426    HZ1  LYS  50          1HZ       LYS  50   7.957  -5.262  -8.624
  427    HZ2  LYS  50          2HZ       LYS  50   9.122  -6.100  -7.809
  428    H    TYR  51           H        TYR  51   8.784  -0.968  -3.349
  429    HA   TYR  51           HA       TYR  51   6.247  -0.758  -1.869
  430    HB2  TYR  51          1HB       TYR  51   8.049   1.381  -3.006
  431    HB3  TYR  51          2HB       TYR  51   6.423   1.666  -2.338
  432    HD1  TYR  51          1HD       TYR  51   9.929   0.947  -1.544
  433    HD2  TYR  51          2HD       TYR  51   6.015   1.426   0.079
  434    HE1  TYR  51          1HE       TYR  51  10.903   1.150   0.725
  435    HE2  TYR  51          2HE       TYR  51   6.970   1.630   2.349
  436    HH   TYR  51           HH       TYR  51   8.866   1.646   3.611
  437    H    VAL  52           H        VAL  52   4.421  -0.956  -3.073
  438    HA   VAL  52           HA       VAL  52   4.620  -0.140  -5.888
  439    HB   VAL  52           HB       VAL  52   2.913  -2.381  -4.705
  440   HG11  VAL  52          1HG1      VAL  52   2.259  -2.804  -7.051
  441   HG12  VAL  52          2HG1      VAL  52   1.778  -1.170  -6.538
  442   HG13  VAL  52          3HG1      VAL  52   3.211  -1.393  -7.571
  443   HG21  VAL  52          1HG2      VAL  52   4.260  -3.877  -6.088
  444   HG22  VAL  52          2HG2      VAL  52   5.284  -2.504  -6.574
  445   HG23  VAL  52          3HG2      VAL  52   5.242  -3.026  -4.872
  446    H    CYS  53           H        CYS  53   3.133   1.366  -6.551
  447    HA   CYS  53           HA       CYS  53   0.968   1.920  -4.655
  448    HB2  CYS  53          1HB       CYS  53   2.308   3.983  -6.401
  449    HB3  CYS  53          2HB       CYS  53   1.118   4.254  -5.144
  450    H    CYS  54           H        CYS  54  -1.051   2.714  -5.720
  451    HA   CYS  54           HA       CYS  54  -1.061   2.707  -8.596
  452    HB2  CYS  54          1HB       CYS  54  -3.127   1.208  -8.602
  453    HB3  CYS  54          2HB       CYS  54  -1.550   0.453  -8.480
  454    H    ASN  55           H        ASN  55  -3.136   3.767  -9.393
  455    HA   ASN  55           HA       ASN  55  -3.503   5.822  -7.376
  456    HB2  ASN  55          1HB       ASN  55  -3.509   7.482  -9.304
  457    HB3  ASN  55          2HB       ASN  55  -2.262   6.218  -9.164
  458   HD21  ASN  55          1HD2      ASN  55  -3.436   6.630 -12.699
  459   HD22  ASN  55          2HD2      ASN  55  -2.893   7.736 -11.481
  460    H    THR  56           H        THR  56  -5.219   3.376  -7.632
  461    HA   THR  56           HA       THR  56  -7.745   4.832  -7.948
  462    HB   THR  56           HB       THR  56  -8.772   2.727  -8.839
  463    HG1  THR  56          1HG       THR  56  -7.292   1.098  -9.594
  464   HG21  THR  56          1HG2      THR  56  -7.838   2.864 -11.121
  465   HG22  THR  56          2HG2      THR  56  -8.046   4.485 -10.416
  466   HG23  THR  56          3HG2      THR  56  -6.428   3.749 -10.491
  467    H    ASP  57           H        ASP  57  -9.592   3.355  -6.934
  468    HA   ASP  57           HA       ASP  57  -8.733   3.375  -4.236
  469    HB2  ASP  57          1HB       ASP  57 -11.487   2.918  -5.506
  470    HB3  ASP  57          2HB       ASP  57 -11.035   2.790  -3.788
  471    HD2  ASP  57           HD       ASP  57 -11.614   6.364  -5.226
  472    H    ARG  58           H        ARG  58  -8.413   1.543  -2.884
  473    HA   ARG  58           HA       ARG  58  -8.199  -0.519  -2.269
  474    HB2  ARG  58          1HB       ARG  58 -10.717  -0.942  -3.828
  475    HB3  ARG  58          2HB       ARG  58 -10.020  -2.082  -2.654
  476    HG2  ARG  58          1HG       ARG  58 -10.212  -0.269  -0.917
  477    HG3  ARG  58          2HG       ARG  58 -11.115   0.692  -2.113
  478    HD2  ARG  58          1HD       ARG  58 -12.619  -0.365  -0.605
  479    HD3  ARG  58          2HD       ARG  58 -12.787  -1.078  -2.226
  480    HE   ARG  58           HE       ARG  58 -11.107  -2.781  -0.514
  481   HH11  ARG  58          1HH       ARG  58 -14.991  -3.437  -0.584
  482   HH21  ARG  58          1HH2      ARG  58 -11.685  -4.586   0.145
  483   HH22  ARG  58          2HH2      ARG  58 -13.384  -5.017   0.165
  484    H    CYS  59           H        CYS  59  -6.727   0.237  -4.663
  485    HA   CYS  59           HA       CYS  59  -7.021  -1.967  -6.500
  486    HB2  CYS  59          1HB       CYS  59  -5.259  -0.488  -7.685
  487    HB3  CYS  59          2HB       CYS  59  -6.607   0.516  -7.094
  488    H    ASN  60           H        ASN  60  -5.072  -0.886  -3.752
  489    HA   ASN  60           HA       ASN  60  -3.029  -2.826  -4.323
  490    HB2  ASN  60          1HB       ASN  60  -1.880  -1.874  -2.370
  491    HB3  ASN  60          2HB       ASN  60  -2.472  -0.554  -3.361
  492   HD21  ASN  60          1HD2      ASN  60  -1.893   0.088  -0.896
  493   HD22  ASN  60          2HD2      ASN  60  -3.287   0.318   0.104
  Start of MODEL   15
    1    H1   MET   0          1H        MET   0 -11.435  11.136   2.920
    2    H2   MET   0          2H        MET   0 -12.520  11.734   2.074
    3    H    MET   0           H        MET   0 -12.414  10.199   2.205
    4    H3   MET   0          3H        MET   0 -12.454  10.248   2.270
    5    HA   MET   0           HA       MET   0 -11.301  11.691   0.182
    6    HB2  MET   0          1HB       MET   0  -9.275  10.241   1.902
    7    HB3  MET   0          2HB       MET   0  -8.943  10.990   0.322
    8    HG2  MET   0          1HG       MET   0  -9.877  12.479   2.794
    9    HG3  MET   0          2HG       MET   0  -8.185  12.365   2.257
   10    HE1  MET   0          1HE       MET   0  -8.140  14.396  -1.048
   11    HE2  MET   0          2HE       MET   0  -7.173  13.611   0.226
   12    HE3  MET   0          3HE       MET   0  -8.232  12.633  -0.821
   13    H    LEU   1           H        LEU   1  -9.225   9.489  -0.437
   14    HA   LEU   1           HA       LEU   1 -11.127   7.788  -1.737
   15    HB2  LEU   1          1HB       LEU   1  -8.184   7.878  -1.488
   16    HB3  LEU   1          2HB       LEU   1  -8.919   6.700  -2.600
   17    HG   LEU   1           HG       LEU   1  -8.926   9.732  -2.811
   18   HD11  LEU   1          1HD1      LEU   1  -7.830   9.265  -5.020
   19   HD12  LEU   1          2HD1      LEU   1  -6.895   8.574  -3.675
   20   HD13  LEU   1          3HD1      LEU   1  -7.921   7.522  -4.678
   21   HD21  LEU   1          1HD2      LEU   1 -10.312   9.459  -4.837
   22   HD22  LEU   1          2HD2      LEU   1 -10.452   7.720  -4.486
   23   HD23  LEU   1          3HD2      LEU   1 -11.140   8.913  -3.361
   24    H    LYS   2           H        LYS   2 -10.175   5.271  -1.760
   25    HA   LYS   2           HA       LYS   2  -9.914   4.520   1.062
   26    HB2  LYS   2          1HB       LYS   2 -11.360   2.544   0.493
   27    HB3  LYS   2          2HB       LYS   2 -12.196   4.113   0.558
   28    HG2  LYS   2          1HG       LYS   2 -12.114   4.238  -1.913
   29    HG3  LYS   2          2HG       LYS   2 -11.332   2.641  -1.955
   30    HD2  LYS   2          1HD       LYS   2 -13.297   1.638  -0.877
   31    HD3  LYS   2          2HD       LYS   2 -14.080   3.235  -0.806
   32    HE2  LYS   2          1HE       LYS   2 -13.960   3.358  -3.286
   33    HE3  LYS   2          2HE       LYS   2 -13.291   1.711  -3.306
   34    HZ1  LYS   2          1HZ       LYS   2 -15.660   1.714  -3.700
   35    HZ2  LYS   2          2HZ       LYS   2 -15.323   0.942  -2.280
   36    H    CYS   3           H        CYS   3  -8.290   3.080   1.454
   37    HA   CYS   3           HA       CYS   3  -7.359   1.545  -0.862
   38    HB2  CYS   3          1HB       CYS   3  -5.657   2.598   1.405
   39    HB3  CYS   3          2HB       CYS   3  -5.102   1.584   0.088
   40    H    ASN   4           H        ASN   4  -6.121  -0.534   0.019
   41    HA   ASN   4           HA       ASN   4  -8.139  -1.702   1.717
   42    HB2  ASN   4          1HB       ASN   4  -6.181  -3.152  -0.207
   43    HB3  ASN   4          2HB       ASN   4  -7.233  -3.685   1.127
   44   HD21  ASN   4          1HD2      ASN   4  -8.825  -3.627  -2.373
   45   HD22  ASN   4          2HD2      ASN   4  -7.201  -4.003  -1.901
   46    H    LYS   5           H        LYS   5  -7.571  -2.878   3.663
   47    HA   LYS   5           HA       LYS   5  -5.010  -2.228   4.790
   48    HB2  LYS   5          1HB       LYS   5  -7.338  -3.919   5.748
   49    HB3  LYS   5          2HB       LYS   5  -5.887  -3.559   6.712
   50    HG2  LYS   5          1HG       LYS   5  -6.430  -1.225   6.806
   51    HG3  LYS   5          2HG       LYS   5  -7.736  -1.423   5.614
   52    HD2  LYS   5          1HD       LYS   5  -8.648  -1.224   7.881
   53    HD3  LYS   5          2HD       LYS   5  -8.978  -2.834   7.196
   54    HE2  LYS   5          1HE       LYS   5  -7.073  -3.759   8.433
   55    HE3  LYS   5          2HE       LYS   5  -6.724  -2.152   9.109
   56    HZ1  LYS   5          1HZ       LYS   5  -7.968  -3.510  10.648
   57    HZ2  LYS   5          2HZ       LYS   5  -8.870  -2.208  10.187
   58    H    LEU   6           H        LEU   6  -3.914  -4.224   6.053
   59    HA   LEU   6           HA       LEU   6  -2.997  -6.128   4.282
   60    HB2  LEU   6          1HB       LEU   6  -2.027  -5.590   6.318
   61    HB3  LEU   6          2HB       LEU   6  -3.329  -6.242   7.339
   62    HG   LEU   6           HG       LEU   6  -2.848  -8.513   6.434
   63   HD11  LEU   6          1HD1      LEU   6  -0.689  -8.863   5.204
   64   HD12  LEU   6          2HD1      LEU   6  -1.789  -7.802   4.292
   65   HD13  LEU   6          3HD1      LEU   6  -0.426  -7.103   5.199
   66   HD21  LEU   6          1HD2      LEU   6  -0.757  -8.875   7.699
   67   HD22  LEU   6          2HD2      LEU   6  -0.500  -7.113   7.744
   68   HD23  LEU   6          3HD2      LEU   6  -1.909  -7.828   8.562
   69    H    VAL   7           H        VAL   7  -5.895  -6.141   6.427
   70    HA   VAL   7           HA       VAL   7  -6.771  -8.663   5.385
   71    HB   VAL   7           HB       VAL   7  -8.235  -6.462   6.912
   72   HG11  VAL   7          1HG1      VAL   7  -9.958  -8.186   7.328
   73   HG12  VAL   7          2HG1      VAL   7  -9.788  -7.856   5.587
   74   HG13  VAL   7          3HG1      VAL   7  -9.068  -9.325   6.289
   75   HG21  VAL   7          1HG2      VAL   7  -8.021  -7.952   8.837
   76   HG22  VAL   7          2HG2      VAL   7  -7.061  -9.083   7.852
   77   HG23  VAL   7          3HG2      VAL   7  -6.437  -7.452   8.199
   78    HA   PRO   8           HA       PRO   8  -7.868  -6.831   1.690
   79    HB2  PRO   8          1HB       PRO   8  -8.583  -9.042   0.253
   80    HB3  PRO   8          2HB       PRO   8  -6.890  -8.737   0.667
   81    HG2  PRO   8          1HG       PRO   8  -8.923 -10.473   2.110
   82    HG3  PRO   8          2HG       PRO   8  -7.243 -10.839   1.699
   83    HD2  PRO   8          1HD       PRO   8  -7.926 -10.011   4.212
   84    HD3  PRO   8          2HD       PRO   8  -6.381  -9.539   3.494
   85    H    ILE   9           H        ILE   9 -10.084  -7.946   3.828
   86    HA   ILE   9           HA       ILE   9 -12.270  -7.173   2.022
   87    HB   ILE   9           HB       ILE   9 -13.744  -8.442   3.611
   88   HG12  ILE   9          1HG1      ILE   9 -11.194  -9.419   4.861
   89   HG13  ILE   9          2HG1      ILE   9 -12.198  -8.115   5.535
   90   HG21  ILE   9          1HG2      ILE   9 -13.005 -10.709   2.958
   91   HG22  ILE   9          2HG2      ILE   9 -12.855  -9.571   1.599
   92   HG23  ILE   9          3HG2      ILE   9 -11.410 -10.062   2.512
   93   HD11  ILE   9          1HD1      ILE   9 -12.685 -10.268   6.630
   94   HD12  ILE   9          2HD1      ILE   9 -14.098  -9.674   5.724
   95   HD13  ILE   9          3HD1      ILE   9 -13.093 -10.979   5.052
   96    H    ALA  10           H        ALA  10 -10.304  -5.547   3.770
   97    HA   ALA  10           HA       ALA  10 -12.423  -3.905   4.899
   98    HB1  ALA  10          1HB       ALA  10 -11.379  -3.711   7.048
   99    HB2  ALA  10          2HB       ALA  10 -11.500  -5.453   6.703
  100    HB3  ALA  10          3HB       ALA  10  -9.943  -4.614   6.506
  101    H    TYR  11           H        TYR  11 -12.021  -1.718   4.621
  102    HA   TYR  11           HA       TYR  11  -9.381  -1.068   3.492
  103    HB2  TYR  11          1HB       TYR  11 -10.479   0.562   2.093
  104    HB3  TYR  11          2HB       TYR  11 -11.106  -1.077   1.792
  105    HD1  TYR  11          1HD       TYR  11 -11.900   2.273   3.083
  106    HD2  TYR  11          2HD       TYR  11 -13.395  -1.668   2.431
  107    HE1  TYR  11          1HE       TYR  11 -14.206   3.092   3.467
  108    HE2  TYR  11          2HE       TYR  11 -15.702  -0.867   2.811
  109    HH   TYR  11           HH       TYR  11 -17.029   0.919   3.295
  110    H    LYS  12           H        LYS  12  -8.629   1.155   3.876
  111    HA   LYS  12           HA       LYS  12 -10.009   2.421   6.140
  112    HB2  LYS  12          1HB       LYS  12  -7.110   2.438   5.261
  113    HB3  LYS  12          2HB       LYS  12  -7.775   3.568   6.465
  114    HG2  LYS  12          1HG       LYS  12  -8.413   1.626   7.883
  115    HG3  LYS  12          2HG       LYS  12  -7.640   0.543   6.701
  116    HD2  LYS  12          1HD       LYS  12  -5.480   1.566   7.095
  117    HD3  LYS  12          2HD       LYS  12  -6.214   2.795   8.153
  118    HE2  LYS  12          1HE       LYS  12  -6.933   0.990   9.696
  119    HE3  LYS  12          2HE       LYS  12  -6.106  -0.195   8.661
  120    HZ1  LYS  12          1HZ       LYS  12  -4.742   0.463  10.524
  121    HZ2  LYS  12          2HZ       LYS  12  -4.041   0.949   9.112
  122    H    THR  13           H        THR  13 -10.421   4.677   6.031
  123    HA   THR  13           HA       THR  13 -10.478   5.805   3.389
  124    HB   THR  13           HB       THR  13 -10.986   7.061   6.132
  125    HG1  THR  13          1HG       THR  13 -13.204   6.710   5.525
  126   HG21  THR  13          1HG2      THR  13 -12.208   8.783   4.851
  127   HG22  THR  13          2HG2      THR  13 -10.497   8.719   4.366
  128   HG23  THR  13          3HG2      THR  13 -11.743   7.983   3.331
  129    H    CYS  14           H        CYS  14  -9.123   7.255   2.440
  130    HA   CYS  14           HA       CYS  14  -6.492   7.193   3.463
  131    HB2  CYS  14          1HB       CYS  14  -7.734   8.610   1.106
  132    HB3  CYS  14          2HB       CYS  14  -6.027   8.704   1.485
  133    HA   PRO  15           HA       PRO  15  -6.569  11.093   5.539
  134    HB2  PRO  15          1HB       PRO  15  -3.951  11.724   5.710
  135    HB3  PRO  15          2HB       PRO  15  -4.585  10.383   6.671
  136    HG2  PRO  15          1HG       PRO  15  -3.178  10.301   3.979
  137    HG3  PRO  15          2HG       PRO  15  -2.906   9.290   5.406
  138    HD2  PRO  15          1HD       PRO  15  -4.463   8.452   3.283
  139    HD3  PRO  15          2HD       PRO  15  -4.759   7.902   4.938
  140    H    GLU  16           H        GLU  16  -6.316  13.396   5.263
  141    HA   GLU  16           HA       GLU  16  -6.933  14.074   2.672
  142    HB2  GLU  16          1HB       GLU  16  -7.514  15.398   4.641
  143    HB3  GLU  16          2HB       GLU  16  -5.794  15.753   4.930
  144    HG2  GLU  16          1HG       GLU  16  -5.751  17.068   2.748
  145    HG3  GLU  16          2HG       GLU  16  -7.456  16.587   2.588
  146    HE2  GLU  16           HE       GLU  16  -7.340  19.840   4.208
  147    H    GLY  17           H        GLY  17  -5.747  14.716   0.876
  148    HA2  GLY  17          1HA       GLY  17  -3.927  15.757  -0.142
  149    HA3  GLY  17          2HA       GLY  17  -2.931  15.432   1.262
  150    H    LYS  18           H        LYS  18  -4.177  12.554   1.298
  151    HA   LYS  18           HA       LYS  18  -2.266  11.454  -0.591
  152    HB2  LYS  18          1HB       LYS  18  -3.988  10.299   1.616
  153    HB3  LYS  18          2HB       LYS  18  -3.014   9.293   0.518
  154    HG2  LYS  18          1HG       LYS  18  -1.915   9.706   2.719
  155    HG3  LYS  18          2HG       LYS  18  -0.967  10.286   1.329
  156    HD2  LYS  18          1HD       LYS  18  -1.769  12.570   1.713
  157    HD3  LYS  18          2HD       LYS  18  -2.762  12.003   3.077
  158    HE2  LYS  18          1HE       LYS  18  -0.733  11.276   4.257
  159    HE3  LYS  18          2HE       LYS  18   0.262  11.837   2.894
  160    HZ1  LYS  18          1HZ       LYS  18   0.193  13.452   4.670
  161    HZ2  LYS  18          2HZ       LYS  18  -0.528  14.066   3.319
  162    H    ASN  19           H        ASN  19  -2.935   9.640  -2.045
  163    HA   ASN  19           HA       ASN  19  -5.650   9.875  -2.927
  164    HB2  ASN  19          1HB       ASN  19  -4.511  12.006  -3.995
  165    HB3  ASN  19          2HB       ASN  19  -3.420  10.696  -4.507
  166   HD21  ASN  19          1HD2      ASN  19  -6.783  11.581  -6.565
  167   HD22  ASN  19          2HD2      ASN  19  -6.315  12.417  -5.121
  168    H    LEU  20           H        LEU  20  -2.325   8.651  -3.062
  169    HA   LEU  20           HA       LEU  20  -3.049   6.584  -4.974
  170    HB2  LEU  20          1HB       LEU  20  -0.392   7.105  -3.643
  171    HB3  LEU  20          2HB       LEU  20  -0.704   6.060  -5.014
  172    HG   LEU  20           HG       LEU  20  -0.875   9.080  -4.949
  173   HD11  LEU  20          1HD1      LEU  20   0.840   7.656  -6.899
  174   HD12  LEU  20          2HD1      LEU  20   1.129   9.153  -5.981
  175   HD13  LEU  20          3HD1      LEU  20   1.347   7.572  -5.194
  176   HD21  LEU  20          1HD2      LEU  20  -1.635   7.156  -7.159
  177   HD22  LEU  20          2HD2      LEU  20  -2.677   8.344  -6.339
  178   HD23  LEU  20          3HD2      LEU  20  -1.357   8.899  -7.397
  179    H    CYS  21           H        CYS  21  -2.837   4.301  -4.468
  180    HA   CYS  21           HA       CYS  21  -2.833   3.780  -1.587
  181    HB2  CYS  21          1HB       CYS  21  -3.877   2.087  -3.863
  182    HB3  CYS  21          2HB       CYS  21  -3.827   1.586  -2.185
  183    H    TYR  22           H        TYR  22  -1.216   2.408  -0.742
  184    HA   TYR  22           HA       TYR  22   0.763   1.466  -2.706
  185    HB2  TYR  22          1HB       TYR  22   2.505   2.138  -1.328
  186    HB3  TYR  22          2HB       TYR  22   1.372   3.511  -1.349
  187    HD1  TYR  22          1HD       TYR  22   2.730   0.749   0.702
  188    HD2  TYR  22          2HD       TYR  22   0.210   4.190   0.658
  189    HE1  TYR  22          1HE       TYR  22   2.645   0.710   3.178
  190    HE2  TYR  22          2HE       TYR  22   0.115   4.164   3.128
  191    HH   TYR  22           HH       TYR  22   0.793   3.124   5.038
  192    H    LYS  23           H        LYS  23   1.824  -0.535  -2.231
  193    HA   LYS  23           HA       LYS  23   1.008  -1.802   0.278
  194    HB2  LYS  23          1HB       LYS  23   0.973  -3.967  -0.877
  195    HB3  LYS  23          2HB       LYS  23  -0.271  -2.854  -1.494
  196    HG2  LYS  23          1HG       LYS  23   1.069  -2.386  -3.470
  197    HG3  LYS  23          2HG       LYS  23   2.400  -3.385  -2.838
  198    HD2  LYS  23          1HD       LYS  23   0.927  -4.487  -4.589
  199    HD3  LYS  23          2HD       LYS  23   1.140  -5.388  -3.069
  200    HE2  LYS  23          1HE       LYS  23  -1.015  -4.584  -2.258
  201    HE3  LYS  23          2HE       LYS  23  -1.224  -3.605  -3.727
  202    HZ1  LYS  23          1HZ       LYS  23  -2.436  -5.675  -3.856
  203    HZ2  LYS  23          2HZ       LYS  23  -1.249  -5.642  -5.001
  204    H    MET  24           H        MET  24   2.626  -3.192   1.218
  205    HA   MET  24           HA       MET  24   5.261  -2.518   0.162
  206    HB2  MET  24          1HB       MET  24   4.296  -3.037   2.981
  207    HB3  MET  24          2HB       MET  24   6.008  -2.843   2.535
  208    HG2  MET  24          1HG       MET  24   5.582  -0.565   1.785
  209    HG3  MET  24          2HG       MET  24   3.848  -0.750   2.136
  210    HE1  MET  24          1HE       MET  24   7.116  -0.799   5.426
  211    HE2  MET  24          2HE       MET  24   6.819  -2.155   4.311
  212    HE3  MET  24          3HE       MET  24   7.475  -0.619   3.692
  213    H    PHE  25           H        PHE  25   6.797  -4.160  -0.134
  214    HA   PHE  25           HA       PHE  25   5.912  -6.848   0.645
  215    HB2  PHE  25          1HB       PHE  25   7.646  -5.943  -1.690
  216    HB3  PHE  25          2HB       PHE  25   7.378  -7.640  -1.234
  217    HD1  PHE  25          1HD       PHE  25   5.790  -4.585  -2.541
  218    HD2  PHE  25          2HD       PHE  25   5.387  -8.769  -1.782
  219    HE1  PHE  25          1HE       PHE  25   3.760  -4.644  -3.951
  220    HE2  PHE  25          2HE       PHE  25   3.358  -8.832  -3.194
  221    HZ   PHE  25           HZ       PHE  25   2.544  -6.768  -4.277
  222    H    MET  26           H        MET  26   7.695  -8.379   1.266
  223    HA   MET  26           HA       MET  26  10.158  -6.952   1.916
  224    HB2  MET  26          1HB       MET  26   8.930  -9.430   3.142
  225    HB3  MET  26          2HB       MET  26  10.562  -8.830   3.522
  226    HG2  MET  26          1HG       MET  26   9.593  -6.740   4.378
  227    HG3  MET  26          2HG       MET  26   7.961  -7.343   4.003
  228    HE1  MET  26          1HE       MET  26   8.089  -7.437   7.952
  229    HE2  MET  26          2HE       MET  26   8.866  -6.236   6.890
  230    HE3  MET  26          3HE       MET  26   7.223  -6.819   6.525
  231    H    MET  27           H        MET  27  12.170  -7.915   1.286
  232    HA   MET  27           HA       MET  27  12.129  -8.879  -1.224
  233    HB2  MET  27          1HB       MET  27  14.142  -9.089   1.005
  234    HB3  MET  27          2HB       MET  27  14.495  -9.736  -0.616
  235    HG2  MET  27          1HG       MET  27  13.805  -6.855   0.046
  236    HG3  MET  27          2HG       MET  27  15.434  -7.481  -0.302
  237    HE1  MET  27          1HE       MET  27  15.255  -8.403  -4.073
  238    HE2  MET  27          2HE       MET  27  16.301  -8.169  -2.652
  239    HE3  MET  27          3HE       MET  27  15.085  -9.469  -2.658
  240    H    SER  28           H        SER  28  11.962 -10.732   1.829
  241    HA   SER  28           HA       SER  28  12.238 -13.252   0.732
  242    HB2  SER  28          1HB       SER  28  12.231 -12.824   3.124
  243    HB3  SER  28          2HB       SER  28  10.545 -12.263   3.050
  244    HG   SER  28           HG       SER  28  10.731 -14.430   3.770
  245    H    ASP  29           H        ASP  29   9.083 -11.785   1.807
  246    HA   ASP  29           HA       ASP  29   7.773 -13.571  -0.008
  247    HB2  ASP  29          1HB       ASP  29   6.960 -13.207   2.397
  248    HB3  ASP  29          2HB       ASP  29   6.694 -11.539   1.833
  249    HD2  ASP  29           HD       ASP  29   3.555 -13.386   1.492
  250    H    LEU  30           H        LEU  30   8.463 -12.505  -2.056
  251    HA   LEU  30           HA       LEU  30   7.583  -9.823  -2.548
  252    HB2  LEU  30          1HB       LEU  30   8.868 -12.041  -3.891
  253    HB3  LEU  30          2HB       LEU  30   8.114 -10.912  -5.039
  254    HG   LEU  30           HG       LEU  30   9.745  -9.374  -4.779
  255   HD11  LEU  30          1HD1      LEU  30  10.715  -8.751  -2.550
  256   HD12  LEU  30          2HD1      LEU  30   8.937  -8.793  -2.493
  257   HD13  LEU  30          3HD1      LEU  30   9.883 -10.141  -1.817
  258   HD21  LEU  30          1HD2      LEU  30  11.946 -10.269  -4.103
  259   HD22  LEU  30          2HD2      LEU  30  11.132 -11.691  -3.403
  260   HD23  LEU  30          3HD2      LEU  30  11.044 -11.386  -5.154
  261    H    THR  31           H        THR  31   6.121 -12.948  -2.430
  262    HA   THR  31           HA       THR  31   4.401 -12.625  -4.688
  263    HB   THR  31           HB       THR  31   4.256 -14.513  -2.284
  264    HG1  THR  31          1HG       THR  31   5.210 -15.991  -3.807
  265   HG21  THR  31          1HG2      THR  31   2.815 -15.891  -3.741
  266   HG22  THR  31          2HG2      THR  31   2.096 -14.287  -3.463
  267   HG23  THR  31          3HG2      THR  31   2.903 -14.644  -5.008
  268    H    ILE  32           H        ILE  32   4.063 -12.177  -1.128
  269    HA   ILE  32           HA       ILE  32   1.475 -10.917  -1.706
  270    HB   ILE  32           HB       ILE  32   2.225 -12.792   0.585
  271   HG12  ILE  32          1HG1      ILE  32   1.587 -13.881  -1.469
  272   HG13  ILE  32          2HG1      ILE  32   0.406 -14.140  -0.164
  273   HG21  ILE  32          1HG2      ILE  32  -0.031 -12.330   1.483
  274   HG22  ILE  32          2HG2      ILE  32   0.957 -10.852   1.448
  275   HG23  ILE  32          3HG2      ILE  32  -0.291 -11.117   0.208
  276   HD11  ILE  32          1HD1      ILE  32  -0.721 -13.753  -2.321
  277   HD12  ILE  32          2HD1      ILE  32  -1.075 -12.445  -1.167
  278   HD13  ILE  32          3HD1      ILE  32   0.105 -12.186  -2.472
  279    HA   PRO  33           HA       PRO  33   3.446  -7.638   0.375
  280    HB2  PRO  33          1HB       PRO  33   1.445  -5.792   0.282
  281    HB3  PRO  33          2HB       PRO  33   2.390  -6.165  -1.166
  282    HG2  PRO  33          1HG       PRO  33  -0.297  -7.284  -0.301
  283    HG3  PRO  33          2HG       PRO  33   0.206  -6.713  -1.898
  284    HD2  PRO  33          1HD       PRO  33   0.178  -9.386  -1.276
  285    HD3  PRO  33          2HD       PRO  33   1.376  -8.716  -2.391
  286    H    VAL  34           H        VAL  34   3.216  -6.238   2.357
  287    HA   VAL  34           HA       VAL  34   2.060  -8.153   4.265
  288    HB   VAL  34           HB       VAL  34   3.992  -7.622   5.731
  289   HG11  VAL  34          1HG1      VAL  34   5.753  -8.750   4.412
  290   HG12  VAL  34          2HG1      VAL  34   4.173  -9.535   4.175
  291   HG13  VAL  34          3HG1      VAL  34   4.828  -8.453   2.922
  292   HG21  VAL  34          1HG2      VAL  34   5.888  -6.333   4.885
  293   HG22  VAL  34          2HG2      VAL  34   4.967  -5.949   3.412
  294   HG23  VAL  34          3HG2      VAL  34   4.408  -5.352   4.992
  295    H    LYS  35           H        LYS  35   2.331  -4.857   3.154
  296    HA   LYS  35           HA       LYS  35   0.429  -4.112   5.207
  297    HB2  LYS  35          1HB       LYS  35   3.085  -2.743   4.729
  298    HB3  LYS  35          2HB       LYS  35   1.702  -1.927   5.495
  299    HG2  LYS  35          1HG       LYS  35   1.727  -3.849   7.195
  300    HG3  LYS  35          2HG       LYS  35   3.328  -4.257   6.535
  301    HD2  LYS  35          1HD       LYS  35   3.797  -2.874   8.383
  302    HD3  LYS  35          2HD       LYS  35   3.942  -1.802   6.970
  303    HE2  LYS  35          1HE       LYS  35   1.758  -0.874   7.362
  304    HE3  LYS  35          2HE       LYS  35   1.425  -2.070   8.637
  305    HZ1  LYS  35          1HZ       LYS  35   2.048   0.059   9.555
  306    HZ2  LYS  35          2HZ       LYS  35   3.182  -1.076   9.938
  307    H    ARG  36           H        ARG  36  -0.994  -2.460   4.524
  308    HA   ARG  36           HA       ARG  36  -0.408  -1.290   1.957
  309    HB2  ARG  36          1HB       ARG  36  -2.872  -2.903   2.473
  310    HB3  ARG  36          2HB       ARG  36  -2.672  -1.766   1.119
  311    HG2  ARG  36          1HG       ARG  36  -1.994  -3.609  -0.000
  312    HG3  ARG  36          2HG       ARG  36  -0.445  -3.279   0.813
  313    HD2  ARG  36          1HD       ARG  36  -0.970  -5.588   0.970
  314    HD3  ARG  36          2HD       ARG  36  -1.080  -4.839   2.579
  315    HE   ARG  36           HE       ARG  36  -3.521  -5.334   2.521
  316   HH11  ARG  36          1HH       ARG  36  -3.339  -7.094  -0.999
  317   HH21  ARG  36          1HH2      ARG  36  -5.139  -6.408   2.014
  318   HH22  ARG  36          2HH2      ARG  36  -5.194  -7.251   0.478
  319    H    GLY  37           H        GLY  37  -1.534   0.745   1.619
  320    HA2  GLY  37          1HA       GLY  37  -3.542   1.696   3.385
  321    HA3  GLY  37          2HA       GLY  37  -1.965   2.269   3.894
  322    H    CYS  38           H        CYS  38  -2.948   4.441   3.347
  323    HA   CYS  38           HA       CYS  38  -2.999   4.911   0.468
  324    HB2  CYS  38          1HB       CYS  38  -3.842   6.432   3.045
  325    HB3  CYS  38          2HB       CYS  38  -4.132   7.077   1.411
  326    H    ILE  39           H        ILE  39  -1.692   6.707  -0.407
  327    HA   ILE  39           HA       ILE  39  -0.189   8.297   1.425
  328    HB   ILE  39           HB       ILE  39   1.287   6.231   1.111
  329   HG12  ILE  39          1HG1      ILE  39   2.577   8.633  -0.106
  330   HG13  ILE  39          2HG1      ILE  39   1.990   8.653   1.573
  331   HG21  ILE  39          1HG2      ILE  39   2.441   6.013  -1.064
  332   HG22  ILE  39          2HG2      ILE  39   0.687   5.776  -1.244
  333   HG23  ILE  39          3HG2      ILE  39   1.433   7.317  -1.731
  334   HD11  ILE  39          1HD1      ILE  39   4.388   8.093   1.475
  335   HD12  ILE  39          2HD1      ILE  39   3.435   6.727   2.102
  336   HD13  ILE  39          3HD1      ILE  39   4.021   6.708   0.423
  337    H    ASP  40           H        ASP  40   1.002  10.063   0.219
  338    HA   ASP  40           HA       ASP  40  -0.678  10.808  -1.986
  339    HB2  ASP  40          1HB       ASP  40   0.473  13.081  -1.685
  340    HB3  ASP  40          2HB       ASP  40  -0.423  12.318  -0.348
  341    HD2  ASP  40           HD       ASP  40   2.924  13.509   0.758
  342    H    VAL  41           H        VAL  41   2.841  10.402  -1.162
  343    HA   VAL  41           HA       VAL  41   3.402  10.325  -4.048
  344    HB   VAL  41           HB       VAL  41   5.220  11.144  -1.734
  345   HG11  VAL  41          1HG1      VAL  41   6.840  11.724  -3.510
  346   HG12  VAL  41          2HG1      VAL  41   6.445   9.989  -3.544
  347   HG13  VAL  41          3HG1      VAL  41   5.718  11.092  -4.739
  348   HG21  VAL  41          1HG2      VAL  41   5.170  13.369  -2.744
  349   HG22  VAL  41          2HG2      VAL  41   3.988  12.795  -3.944
  350   HG23  VAL  41          3HG2      VAL  41   3.556  12.836  -2.218
  351    H    CYS  42           H        CYS  42   4.274   8.468  -4.863
  352    HA   CYS  42           HA       CYS  42   4.234   6.211  -3.177
  353    HB2  CYS  42          1HB       CYS  42   3.599   6.143  -5.541
  354    HB3  CYS  42          2HB       CYS  42   5.245   6.518  -6.013
  355    HA   PRO  43           HA       PRO  43   8.372   6.735  -1.812
  356    HB2  PRO  43          1HB       PRO  43   8.554   4.579  -0.141
  357    HB3  PRO  43          2HB       PRO  43   7.665   6.030   0.344
  358    HG2  PRO  43          1HG       PRO  43   6.608   3.466  -0.886
  359    HG3  PRO  43          2HG       PRO  43   5.949   4.410   0.456
  360    HD2  PRO  43          1HD       PRO  43   4.928   4.628  -2.081
  361    HD3  PRO  43          2HD       PRO  43   4.957   6.013  -0.982
  362    H    LYS  44           H        LYS  44  10.426   6.184  -2.420
  363    HA   LYS  44           HA       LYS  44  10.496   4.431  -4.640
  364    HB2  LYS  44          1HB       LYS  44  12.658   5.719  -2.951
  365    HB3  LYS  44          2HB       LYS  44  12.970   4.798  -4.442
  366    HG2  LYS  44          1HG       LYS  44  11.644   6.428  -5.726
  367    HG3  LYS  44          2HG       LYS  44  11.335   7.350  -4.236
  368    HD2  LYS  44          1HD       LYS  44  13.737   7.763  -3.974
  369    HD3  LYS  44          2HD       LYS  44  14.071   6.808  -5.438
  370    HE2  LYS  44          1HE       LYS  44  12.759   8.397  -6.777
  371    HE3  LYS  44          2HE       LYS  44  12.424   9.352  -5.315
  372    HZ1  LYS  44          1HZ       LYS  44  14.242  10.275  -6.584
  373    HZ2  LYS  44          2HZ       LYS  44  14.784   9.754  -5.115
  374    H    ASN  45           H        ASN  45  11.932   2.495  -4.821
  375    HA   ASN  45           HA       ASN  45  11.079   0.746  -2.792
  376    HB2  ASN  45          1HB       ASN  45  12.829   0.035  -5.257
  377    HB3  ASN  45          2HB       ASN  45  12.167  -0.856  -3.865
  378   HD21  ASN  45          1HD2      ASN  45   9.963  -0.791  -7.003
  379   HD22  ASN  45          2HD2      ASN  45  11.685  -0.885  -6.849
  380    H    SER  46           H        SER  46  12.409  -0.400  -1.240
  381    HA   SER  46           HA       SER  46  15.102   0.684  -1.001
  382    HB2  SER  46          1HB       SER  46  14.954   0.117   1.369
  383    HB3  SER  46          2HB       SER  46  13.574   1.129   0.885
  384    HG   SER  46           HG       SER  46  12.330  -0.785   0.770
  385    H    LEU  47           H        LEU  47  16.510  -1.098   0.401
  386    HA   LEU  47           HA       LEU  47  16.735  -3.266  -1.445
  387    HB2  LEU  47          1HB       LEU  47  18.028  -2.517   1.103
  388    HB3  LEU  47          2HB       LEU  47  18.676  -3.891   0.177
  389    HG   LEU  47           HG       LEU  47  18.588  -0.984  -0.718
  390   HD11  LEU  47          1HD1      LEU  47  21.088  -1.151  -0.604
  391   HD12  LEU  47          2HD1      LEU  47  20.348  -1.459   0.984
  392   HD13  LEU  47          3HD1      LEU  47  20.935  -2.818  -0.004
  393   HD21  LEU  47          1HD2      LEU  47  19.860  -1.757  -2.690
  394   HD22  LEU  47          2HD2      LEU  47  19.674  -3.436  -2.128
  395   HD23  LEU  47          3HD2      LEU  47  18.240  -2.488  -2.587
  396    H    LEU  48           H        LEU  48  15.163  -2.684   1.640
  397    HA   LEU  48           HA       LEU  48  15.196  -5.526   2.275
  398    HB2  LEU  48          1HB       LEU  48  14.274  -3.074   3.642
  399    HB3  LEU  48          2HB       LEU  48  14.146  -4.642   4.472
  400    HG   LEU  48           HG       LEU  48  16.703  -3.218   3.641
  401   HD11  LEU  48          1HD1      LEU  48  17.125  -3.129   6.113
  402   HD12  LEU  48          2HD1      LEU  48  15.621  -2.282   5.683
  403   HD13  LEU  48          3HD1      LEU  48  15.553  -3.912   6.394
  404   HD21  LEU  48          1HD2      LEU  48  17.886  -5.078   4.754
  405   HD22  LEU  48          2HD2      LEU  48  16.326  -5.899   5.003
  406   HD23  LEU  48          3HD2      LEU  48  16.929  -5.615   3.353
  407    H    VAL  49           H        VAL  49  12.916  -2.775   1.709
  408    HA   VAL  49           HA       VAL  49  10.835  -4.800   1.256
  409    HB   VAL  49           HB       VAL  49   9.203  -3.087   2.130
  410   HG11  VAL  49          1HG1      VAL  49   9.723  -3.433   4.523
  411   HG12  VAL  49          2HG1      VAL  49   9.996  -4.922   3.585
  412   HG13  VAL  49          3HG1      VAL  49  11.379  -3.921   4.091
  413   HG21  VAL  49          1HG2      VAL  49  10.036  -1.223   3.472
  414   HG22  VAL  49          2HG2      VAL  49  11.703  -1.632   3.003
  415   HG23  VAL  49          3HG2      VAL  49  10.537  -1.097   1.770
  416    H    LYS  50           H        LYS  50   9.379  -4.376  -0.462
  417    HA   LYS  50           HA       LYS  50  10.320  -2.251  -2.248
  418    HB2  LYS  50          1HB       LYS  50  10.466  -4.514  -3.146
  419    HB3  LYS  50          2HB       LYS  50   8.752  -4.795  -2.758
  420    HG2  LYS  50          1HG       LYS  50   8.115  -3.033  -4.376
  421    HG3  LYS  50          2HG       LYS  50   9.831  -2.809  -4.788
  422    HD2  LYS  50          1HD       LYS  50   9.965  -5.126  -5.571
  423    HD3  LYS  50          2HD       LYS  50   8.266  -5.392  -5.112
  424    HE2  LYS  50          1HE       LYS  50   7.582  -3.632  -6.710
  425    HE3  LYS  50          2HE       LYS  50   9.282  -3.435  -7.196
  426    HZ1  LYS  50          1HZ       LYS  50   8.083  -4.862  -8.711
  427    HZ2  LYS  50          2HZ       LYS  50   9.266  -5.718  -7.943
  428    H    TYR  51           H        TYR  51   8.797  -0.837  -3.245
  429    HA   TYR  51           HA       TYR  51   6.225  -0.779  -1.814
  430    HB2  TYR  51          1HB       TYR  51   7.958   1.475  -2.833
  431    HB3  TYR  51          2HB       TYR  51   6.319   1.663  -2.164
  432    HD1  TYR  51          1HD       TYR  51   9.849   1.130  -1.386
  433    HD2  TYR  51          2HD       TYR  51   5.910   1.217   0.243
  434    HE1  TYR  51          1HE       TYR  51  10.805   1.269   0.896
  435    HE2  TYR  51          2HE       TYR  51   6.846   1.357   2.527
  436    HH   TYR  51           HH       TYR  51   8.735   1.439   3.796
  437    H    VAL  52           H        VAL  52   4.422  -0.953  -3.058
  438    HA   VAL  52           HA       VAL  52   4.680  -0.095  -5.857
  439    HB   VAL  52           HB       VAL  52   2.944  -2.342  -4.729
  440   HG11  VAL  52          1HG1      VAL  52   2.348  -2.751  -7.094
  441   HG12  VAL  52          2HG1      VAL  52   1.857  -1.119  -6.582
  442   HG13  VAL  52          3HG1      VAL  52   3.314  -1.338  -7.581
  443   HG21  VAL  52          1HG2      VAL  52   4.325  -3.831  -6.087
  444   HG22  VAL  52          2HG2      VAL  52   5.361  -2.456  -6.538
  445   HG23  VAL  52          3HG2      VAL  52   5.276  -2.989  -4.842
  446    H    CYS  53           H        CYS  53   3.226   1.433  -6.531
  447    HA   CYS  53           HA       CYS  53   1.048   2.011  -4.655
  448    HB2  CYS  53          1HB       CYS  53   2.466   4.046  -6.375
  449    HB3  CYS  53          2HB       CYS  53   1.247   4.347  -5.152
  450    H    CYS  54           H        CYS  54  -0.920   2.941  -5.756
  451    HA   CYS  54           HA       CYS  54  -0.954   2.871  -8.616
  452    HB2  CYS  54          1HB       CYS  54  -2.963   1.326  -8.653
  453    HB3  CYS  54          2HB       CYS  54  -1.381   0.594  -8.464
  454    H    ASN  55           H        ASN  55  -3.085   3.863  -9.403
  455    HA   ASN  55           HA       ASN  55  -3.439   5.938  -7.405
  456    HB2  ASN  55          1HB       ASN  55  -3.470   7.581  -9.346
  457    HB3  ASN  55          2HB       ASN  55  -2.216   6.325  -9.208
  458   HD21  ASN  55          1HD2      ASN  55  -3.431   6.705 -12.734
  459   HD22  ASN  55          2HD2      ASN  55  -2.886   7.825 -11.530
  460    H    THR  56           H        THR  56  -5.145   3.512  -7.554
  461    HA   THR  56           HA       THR  56  -7.687   4.911  -7.948
  462    HB   THR  56           HB       THR  56  -8.662   2.772  -8.844
  463    HG1  THR  56          1HG       THR  56  -7.129   1.199  -9.612
  464   HG21  THR  56          1HG2      THR  56  -7.729   2.959 -11.124
  465   HG22  THR  56          2HG2      THR  56  -7.992   4.567 -10.405
  466   HG23  THR  56          3HG2      THR  56  -6.350   3.883 -10.484
  467    H    ASP  57           H        ASP  57  -9.527   3.396  -6.971
  468    HA   ASP  57           HA       ASP  57  -8.702   3.367  -4.255
  469    HB2  ASP  57          1HB       ASP  57 -11.440   2.936  -5.574
  470    HB3  ASP  57          2HB       ASP  57 -11.010   2.765  -3.854
  471    HD2  ASP  57           HD       ASP  57 -11.594   6.371  -5.200
  472    H    ARG  58           H        ARG  58  -8.474   1.496  -2.917
  473    HA   ARG  58           HA       ARG  58  -8.280  -0.582  -2.353
  474    HB2  ARG  58          1HB       ARG  58 -10.724  -0.969  -4.036
  475    HB3  ARG  58          2HB       ARG  58 -10.084  -2.126  -2.847
  476    HG2  ARG  58          1HG       ARG  58 -10.347  -0.305  -1.106
  477    HG3  ARG  58          2HG       ARG  58 -11.242   0.624  -2.334
  478    HD2  ARG  58          1HD       ARG  58 -12.778  -0.452  -0.899
  479    HD3  ARG  58          2HD       ARG  58 -12.838  -1.231  -2.497
  480    HE   ARG  58           HE       ARG  58 -11.182  -2.792  -0.627
  481   HH11  ARG  58          1HH       ARG  58 -15.019  -3.639  -0.925
  482   HH21  ARG  58          1HH2      ARG  58 -11.718  -4.600   0.061
  483   HH22  ARG  58          2HH2      ARG  58 -13.392  -5.113  -0.013
  484    H    CYS  59           H        CYS  59  -6.680   0.220  -4.632
  485    HA   CYS  59           HA       CYS  59  -6.921  -1.891  -6.577
  486    HB2  CYS  59          1HB       CYS  59  -5.070  -0.736  -7.711
  487    HB3  CYS  59          2HB       CYS  59  -6.466   0.285  -7.435
  488    H    ASN  60           H        ASN  60  -5.051  -0.954  -3.710
  489    HA   ASN  60           HA       ASN  60  -3.037  -2.923  -4.289
  490    HB2  ASN  60          1HB       ASN  60  -1.917  -2.041  -2.270
  491    HB3  ASN  60          2HB       ASN  60  -2.413  -0.703  -3.287
  492   HD21  ASN  60          1HD2      ASN  60  -1.936   0.042  -0.883
  493   HD22  ASN  60          2HD2      ASN  60  -3.346   0.296   0.089
  Start of MODEL   16
    1    H1   MET   0          1H        MET   0  -9.640  10.808   2.648
    2    H2   MET   0          2H        MET   0 -11.081  10.847   3.063
    3    H    MET   0           H        MET   0 -10.480   9.534   2.515
    4    H3   MET   0          3H        MET   0 -10.468   9.558   2.601
    5    HA   MET   0           HA       MET   0 -11.830  11.398   1.011
    6    HB2  MET   0          1HB       MET   0  -8.891  11.109   0.377
    7    HB3  MET   0          2HB       MET   0 -10.084  11.709  -0.801
    8    HG2  MET   0          1HG       MET   0 -10.619  13.585   0.676
    9    HG3  MET   0          2HG       MET   0  -9.461  12.978   1.884
   10    HE1  MET   0          1HE       MET   0  -8.362  14.823  -2.219
   11    HE2  MET   0          2HE       MET   0  -9.271  13.298  -2.075
   12    HE3  MET   0          3HE       MET   0  -9.992  14.821  -1.503
   13    H    LEU   1           H        LEU   1  -9.164   9.281  -0.206
   14    HA   LEU   1           HA       LEU   1 -11.141   7.737  -1.645
   15    HB2  LEU   1          1HB       LEU   1  -8.196   7.723  -1.417
   16    HB3  LEU   1          2HB       LEU   1  -8.985   6.619  -2.568
   17    HG   LEU   1           HG       LEU   1  -8.895   9.657  -2.661
   18   HD11  LEU   1          1HD1      LEU   1  -7.794   9.248  -4.877
   19   HD12  LEU   1          2HD1      LEU   1  -6.886   8.483  -3.554
   20   HD13  LEU   1          3HD1      LEU   1  -7.929   7.495  -4.604
   21   HD21  LEU   1          1HD2      LEU   1 -10.271   9.494  -4.706
   22   HD22  LEU   1          2HD2      LEU   1 -10.456   7.747  -4.422
   23   HD23  LEU   1          3HD2      LEU   1 -11.125   8.913  -3.256
   24    H    LYS   2           H        LYS   2 -10.243   5.196  -1.735
   25    HA   LYS   2           HA       LYS   2 -10.026   4.379   1.074
   26    HB2  LYS   2          1HB       LYS   2 -11.458   2.426   0.439
   27    HB3  LYS   2          2HB       LYS   2 -12.297   3.995   0.476
   28    HG2  LYS   2          1HG       LYS   2 -12.098   4.125  -1.997
   29    HG3  LYS   2          2HG       LYS   2 -11.344   2.513  -1.998
   30    HD2  LYS   2          1HD       LYS   2 -13.373   1.550  -1.005
   31    HD3  LYS   2          2HD       LYS   2 -14.126   3.162  -0.966
   32    HE2  LYS   2          1HE       LYS   2 -13.910   3.284  -3.437
   33    HE3  LYS   2          2HE       LYS   2 -13.262   1.627  -3.435
   34    HZ1  LYS   2          1HZ       LYS   2 -15.613   1.661  -3.922
   35    HZ2  LYS   2          2HZ       LYS   2 -15.342   0.883  -2.493
   36    H    CYS   3           H        CYS   3  -8.322   3.056   1.458
   37    HA   CYS   3           HA       CYS   3  -7.343   1.525  -0.841
   38    HB2  CYS   3          1HB       CYS   3  -5.725   2.575   1.487
   39    HB3  CYS   3          2HB       CYS   3  -5.115   1.574   0.186
   40    H    ASN   4           H        ASN   4  -6.075  -0.538   0.071
   41    HA   ASN   4           HA       ASN   4  -8.133  -1.775   1.671
   42    HB2  ASN   4          1HB       ASN   4  -6.059  -3.170  -0.173
   43    HB3  ASN   4          2HB       ASN   4  -7.184  -3.729   1.090
   44   HD21  ASN   4          1HD2      ASN   4  -8.547  -3.579  -2.522
   45   HD22  ASN   4          2HD2      ASN   4  -6.938  -3.916  -1.974
   46    H    LYS   5           H        LYS   5  -7.654  -2.795   3.694
   47    HA   LYS   5           HA       LYS   5  -5.148  -2.252   4.918
   48    HB2  LYS   5          1HB       LYS   5  -7.451  -4.083   5.651
   49    HB3  LYS   5          2HB       LYS   5  -6.056  -3.746   6.702
   50    HG2  LYS   5          1HG       LYS   5  -6.683  -1.345   6.722
   51    HG3  LYS   5          2HG       LYS   5  -8.114  -1.732   5.737
   52    HD2  LYS   5          1HD       LYS   5  -8.917  -3.242   7.525
   53    HD3  LYS   5          2HD       LYS   5  -7.504  -2.801   8.514
   54    HE2  LYS   5          1HE       LYS   5  -8.227  -0.462   8.529
   55    HE3  LYS   5          2HE       LYS   5  -9.624  -0.877   7.510
   56    HZ1  LYS   5          1HZ       LYS   5 -10.227  -0.733   9.830
   57    HZ2  LYS   5          2HZ       LYS   5 -10.423  -2.280   9.289
   58    H    LEU   6           H        LEU   6  -3.952  -4.244   6.038
   59    HA   LEU   6           HA       LEU   6  -3.044  -6.123   4.240
   60    HB2  LEU   6          1HB       LEU   6  -2.010  -5.602   6.386
   61    HB3  LEU   6          2HB       LEU   6  -3.363  -6.321   7.239
   62    HG   LEU   6           HG       LEU   6  -2.806  -8.524   6.230
   63   HD11  LEU   6          1HD1      LEU   6  -0.710  -6.886   4.870
   64   HD12  LEU   6          2HD1      LEU   6  -0.312  -8.554   5.345
   65   HD13  LEU   6          3HD1      LEU   6  -1.687  -8.242   4.258
   66   HD21  LEU   6          1HD2      LEU   6  -1.227  -9.051   7.820
   67   HD22  LEU   6          2HD2      LEU   6  -0.315  -7.540   7.580
   68   HD23  LEU   6          3HD2      LEU   6  -1.866  -7.516   8.455
   69    H    VAL   7           H        VAL   7  -5.953  -6.157   6.372
   70    HA   VAL   7           HA       VAL   7  -6.827  -8.667   5.302
   71    HB   VAL   7           HB       VAL   7  -8.294  -6.484   6.855
   72   HG11  VAL   7          1HG1      VAL   7 -10.009  -8.218   7.259
   73   HG12  VAL   7          2HG1      VAL   7  -9.845  -7.872   5.521
   74   HG13  VAL   7          3HG1      VAL   7  -9.118  -9.344   6.210
   75   HG21  VAL   7          1HG2      VAL   7  -8.069  -7.990   8.766
   76   HG22  VAL   7          2HG2      VAL   7  -7.108  -9.109   7.769
   77   HG23  VAL   7          3HG2      VAL   7  -6.489  -7.478   8.128
   78    HA   PRO   8           HA       PRO   8  -7.952  -6.809   1.627
   79    HB2  PRO   8          1HB       PRO   8  -8.712  -9.009   0.194
   80    HB3  PRO   8          2HB       PRO   8  -7.011  -8.722   0.583
   81    HG2  PRO   8          1HG       PRO   8  -9.038 -10.444   2.048
   82    HG3  PRO   8          2HG       PRO   8  -7.365 -10.822   1.616
   83    HD2  PRO   8          1HD       PRO   8  -8.012  -9.996   4.140
   84    HD3  PRO   8          2HD       PRO   8  -6.471  -9.534   3.405
   85    H    ILE   9           H        ILE   9 -10.163  -7.948   3.776
   86    HA   ILE   9           HA       ILE   9 -12.355  -7.110   2.010
   87    HB   ILE   9           HB       ILE   9 -13.828  -8.394   3.589
   88   HG12  ILE   9          1HG1      ILE   9 -11.278  -9.427   4.792
   89   HG13  ILE   9          2HG1      ILE   9 -12.257  -8.122   5.502
   90   HG21  ILE   9          1HG2      ILE   9 -13.122 -10.656   2.884
   91   HG22  ILE   9          2HG2      ILE   9 -12.972  -9.494   1.547
   92   HG23  ILE   9          3HG2      ILE   9 -11.523 -10.018   2.435
   93   HD11  ILE   9          1HD1      ILE   9 -12.760 -10.287   6.562
   94   HD12  ILE   9          2HD1      ILE   9 -14.175  -9.658   5.683
   95   HD13  ILE   9          3HD1      ILE   9 -13.196 -10.963   4.975
   96    H    ALA  10           H        ALA  10 -10.356  -5.537   3.764
   97    HA   ALA  10           HA       ALA  10 -12.449  -3.887   4.925
   98    HB1  ALA  10          1HB       ALA  10  -9.978  -4.704   6.500
   99    HB2  ALA  10          2HB       ALA  10 -11.334  -3.700   7.063
  100    HB3  ALA  10          3HB       ALA  10 -11.587  -5.430   6.727
  101    H    TYR  11           H        TYR  11 -11.973  -1.676   4.787
  102    HA   TYR  11           HA       TYR  11  -9.417  -1.087   3.450
  103    HB2  TYR  11          1HB       TYR  11 -10.577   0.544   2.112
  104    HB3  TYR  11          2HB       TYR  11 -11.268  -1.081   1.880
  105    HD1  TYR  11          1HD       TYR  11 -11.880   2.307   3.160
  106    HD2  TYR  11          2HD       TYR  11 -13.514  -1.606   2.714
  107    HE1  TYR  11          1HE       TYR  11 -14.128   3.194   3.701
  108    HE2  TYR  11          2HE       TYR  11 -15.765  -0.739   3.253
  109    HH   TYR  11           HH       TYR  11 -17.008   1.090   3.796
  110    H    LYS  12           H        LYS  12  -8.589   1.113   3.771
  111    HA   LYS  12           HA       LYS  12  -9.713   2.372   6.174
  112    HB2  LYS  12          1HB       LYS  12  -6.945   2.445   4.941
  113    HB3  LYS  12          2HB       LYS  12  -7.467   3.493   6.282
  114    HG2  LYS  12          1HG       LYS  12  -7.900   1.462   7.652
  115    HG3  LYS  12          2HG       LYS  12  -7.267   0.463   6.322
  116    HD2  LYS  12          1HD       LYS  12  -5.087   1.508   6.504
  117    HD3  LYS  12          2HD       LYS  12  -5.700   2.654   7.720
  118    HE2  LYS  12          1HE       LYS  12  -6.202   0.734   9.218
  119    HE3  LYS  12          2HE       LYS  12  -5.474  -0.357   8.017
  120    HZ1  LYS  12          1HZ       LYS  12  -3.917   0.225   9.749
  121    HZ2  LYS  12          2HZ       LYS  12  -3.399   0.820   8.300
  122    H    THR  13           H        THR  13 -10.111   4.637   6.154
  123    HA   THR  13           HA       THR  13 -10.445   5.789   3.524
  124    HB   THR  13           HB       THR  13 -10.836   6.962   6.322
  125    HG1  THR  13          1HG       THR  13 -13.072   6.547   5.829
  126   HG21  THR  13          1HG2      THR  13 -12.187   8.672   5.158
  127   HG22  THR  13          2HG2      THR  13 -10.504   8.681   4.579
  128   HG23  THR  13          3HG2      THR  13 -11.780   7.929   3.593
  129    H    CYS  14           H        CYS  14  -9.123   7.169   2.478
  130    HA   CYS  14           HA       CYS  14  -6.475   7.265   3.450
  131    HB2  CYS  14          1HB       CYS  14  -7.814   8.512   1.050
  132    HB3  CYS  14          2HB       CYS  14  -6.103   8.684   1.389
  133    HA   PRO  15           HA       PRO  15  -6.708  11.219   5.395
  134    HB2  PRO  15          1HB       PRO  15  -4.102  11.897   5.604
  135    HB3  PRO  15          2HB       PRO  15  -4.747  10.591   6.608
  136    HG2  PRO  15          1HG       PRO  15  -3.270  10.409   3.958
  137    HG3  PRO  15          2HG       PRO  15  -3.018   9.469   5.435
  138    HD2  PRO  15          1HD       PRO  15  -4.504   8.499   3.325
  139    HD3  PRO  15          2HD       PRO  15  -4.850   8.040   4.997
  140    H    GLU  16           H        GLU  16  -6.570  13.494   5.022
  141    HA   GLU  16           HA       GLU  16  -7.007  14.083   2.375
  142    HB2  GLU  16          1HB       GLU  16  -7.761  15.444   4.263
  143    HB3  GLU  16          2HB       GLU  16  -6.075  15.863   4.651
  144    HG2  GLU  16          1HG       GLU  16  -5.924  17.119   2.446
  145    HG3  GLU  16          2HG       GLU  16  -7.589  16.562   2.169
  146    HE2  GLU  16           HE       GLU  16  -7.729  19.863   3.688
  147    H    GLY  17           H        GLY  17  -5.714  14.757   0.658
  148    HA2  GLY  17          1HA       GLY  17  -3.806  15.769  -0.240
  149    HA3  GLY  17          2HA       GLY  17  -2.907  15.408   1.221
  150    H    LYS  18           H        LYS  18  -4.194  12.571   1.215
  151    HA   LYS  18           HA       LYS  18  -2.259  11.432  -0.638
  152    HB2  LYS  18          1HB       LYS  18  -3.999  10.282   1.563
  153    HB3  LYS  18          2HB       LYS  18  -2.951   9.299   0.513
  154    HG2  LYS  18          1HG       LYS  18  -1.954   9.797   2.754
  155    HG3  LYS  18          2HG       LYS  18  -0.970  10.359   1.382
  156    HD2  LYS  18          1HD       LYS  18  -1.617  12.620   1.708
  157    HD3  LYS  18          2HD       LYS  18  -2.939  12.161   2.807
  158    HE2  LYS  18          1HE       LYS  18  -1.043  13.096   4.047
  159    HE3  LYS  18          2HE       LYS  18  -1.319  11.389   4.467
  160    HZ1  LYS  18          1HZ       LYS  18   1.013  11.859   4.139
  161    HZ2  LYS  18          2HZ       LYS  18   0.482  10.802   2.989
  162    H    ASN  19           H        ASN  19  -2.926   9.618  -2.079
  163    HA   ASN  19           HA       ASN  19  -5.642   9.861  -2.962
  164    HB2  ASN  19          1HB       ASN  19  -4.479  11.976  -4.040
  165    HB3  ASN  19          2HB       ASN  19  -3.403  10.650  -4.544
  166   HD21  ASN  19          1HD2      ASN  19  -6.759  11.559  -6.605
  167   HD22  ASN  19          2HD2      ASN  19  -6.284  12.396  -5.164
  168    H    LEU  20           H        LEU  20  -2.322   8.616  -3.097
  169    HA   LEU  20           HA       LEU  20  -3.083   6.522  -4.975
  170    HB2  LEU  20          1HB       LEU  20  -0.562   7.045  -3.529
  171    HB3  LEU  20          2HB       LEU  20  -0.636   5.993  -4.961
  172    HG   LEU  20           HG       LEU  20  -0.876   9.018  -4.832
  173   HD11  LEU  20          1HD1      LEU  20   1.029   8.912  -6.462
  174   HD12  LEU  20          2HD1      LEU  20   1.431   8.078  -4.942
  175   HD13  LEU  20          3HD1      LEU  20   0.977   7.135  -6.382
  176   HD21  LEU  20          1HD2      LEU  20  -1.336   8.972  -7.259
  177   HD22  LEU  20          2HD2      LEU  20  -1.436   7.195  -7.189
  178   HD23  LEU  20          3HD2      LEU  20  -2.616   8.190  -6.303
  179    H    CYS  21           H        CYS  21  -2.848   4.250  -4.435
  180    HA   CYS  21           HA       CYS  21  -2.796   3.780  -1.547
  181    HB2  CYS  21          1HB       CYS  21  -3.884   2.047  -3.771
  182    HB3  CYS  21          2HB       CYS  21  -3.815   1.582  -2.083
  183    H    TYR  22           H        TYR  22  -1.163   2.430  -0.706
  184    HA   TYR  22           HA       TYR  22   0.783   1.455  -2.688
  185    HB2  TYR  22          1HB       TYR  22   2.545   2.119  -1.324
  186    HB3  TYR  22          2HB       TYR  22   1.428   3.503  -1.372
  187    HD1  TYR  22          1HD       TYR  22   2.773   0.780   0.733
  188    HD2  TYR  22          2HD       TYR  22   0.266   4.228   0.623
  189    HE1  TYR  22          1HE       TYR  22   2.696   0.793   3.209
  190    HE2  TYR  22          2HE       TYR  22   0.177   4.255   3.094
  191    HH   TYR  22           HH       TYR  22   0.856   3.253   5.022
  192    H    LYS  23           H        LYS  23   1.838  -0.544  -2.220
  193    HA   LYS  23           HA       LYS  23   1.026  -1.816   0.290
  194    HB2  LYS  23          1HB       LYS  23   0.970  -3.975  -0.881
  195    HB3  LYS  23          2HB       LYS  23  -0.269  -2.848  -1.484
  196    HG2  LYS  23          1HG       LYS  23   1.066  -2.374  -3.462
  197    HG3  LYS  23          2HG       LYS  23   2.390  -3.391  -2.845
  198    HD2  LYS  23          1HD       LYS  23   0.889  -4.459  -4.599
  199    HD3  LYS  23          2HD       LYS  23   1.115  -5.379  -3.093
  200    HE2  LYS  23          1HE       LYS  23  -1.025  -4.569  -2.245
  201    HE3  LYS  23          2HE       LYS  23  -1.247  -3.575  -3.702
  202    HZ1  LYS  23          1HZ       LYS  23  -2.472  -5.635  -3.837
  203    HZ2  LYS  23          2HZ       LYS  23  -1.299  -5.598  -4.997
  204    H    MET  24           H        MET  24   2.634  -3.237   1.208
  205    HA   MET  24           HA       MET  24   5.271  -2.553   0.160
  206    HB2  MET  24          1HB       MET  24   4.309  -3.045   2.986
  207    HB3  MET  24          2HB       MET  24   6.017  -2.827   2.533
  208    HG2  MET  24          1HG       MET  24   5.546  -0.565   1.752
  209    HG3  MET  24          2HG       MET  24   3.819  -0.777   2.125
  210    HE1  MET  24          1HE       MET  24   7.102  -0.782   5.400
  211    HE2  MET  24          2HE       MET  24   6.785  -2.154   4.309
  212    HE3  MET  24          3HE       MET  24   7.461  -0.639   3.663
  213    H    PHE  25           H        PHE  25   6.781  -4.197  -0.166
  214    HA   PHE  25           HA       PHE  25   5.901  -6.882   0.631
  215    HB2  PHE  25          1HB       PHE  25   7.642  -5.981  -1.700
  216    HB3  PHE  25          2HB       PHE  25   7.349  -7.676  -1.254
  217    HD1  PHE  25          1HD       PHE  25   5.797  -4.587  -2.531
  218    HD2  PHE  25          2HD       PHE  25   5.352  -8.777  -1.826
  219    HE1  PHE  25          1HE       PHE  25   3.768  -4.607  -3.943
  220    HE2  PHE  25          2HE       PHE  25   3.324  -8.802  -3.241
  221    HZ   PHE  25           HZ       PHE  25   2.531  -6.714  -4.298
  222    H    MET  26           H        MET  26   7.685  -8.423   1.232
  223    HA   MET  26           HA       MET  26  10.146  -7.001   1.907
  224    HB2  MET  26          1HB       MET  26   8.904  -9.484   3.106
  225    HB3  MET  26          2HB       MET  26  10.542  -8.903   3.491
  226    HG2  MET  26          1HG       MET  26   9.594  -6.815   4.372
  227    HG3  MET  26          2HG       MET  26   7.956  -7.393   3.984
  228    HE1  MET  26          1HE       MET  26   8.066  -7.536   7.932
  229    HE2  MET  26          2HE       MET  26   8.859  -6.332   6.886
  230    HE3  MET  26          3HE       MET  26   7.212  -6.893   6.508
  231    H    MET  27           H        MET  27  12.161  -7.955   1.279
  232    HA   MET  27           HA       MET  27  12.143  -8.909  -1.235
  233    HB2  MET  27          1HB       MET  27  14.135  -9.144   1.011
  234    HB3  MET  27          2HB       MET  27  14.500  -9.768  -0.615
  235    HG2  MET  27          1HG       MET  27  13.814  -6.897   0.089
  236    HG3  MET  27          2HG       MET  27  15.441  -7.522  -0.269
  237    HE1  MET  27          1HE       MET  27  15.240  -8.400  -4.056
  238    HE2  MET  27          2HE       MET  27  16.293  -8.207  -2.633
  239    HE3  MET  27          3HE       MET  27  15.053  -9.484  -2.656
  240    H    SER  28           H        SER  28  11.895 -10.763   1.802
  241    HA   SER  28           HA       SER  28  12.274 -13.276   0.678
  242    HB2  SER  28          1HB       SER  28  12.310 -12.862   3.076
  243    HB3  SER  28          2HB       SER  28  10.601 -12.370   3.042
  244    HG   SER  28           HG       SER  28  10.889 -14.532   3.738
  245    H    ASP  29           H        ASP  29   9.158 -11.644   1.648
  246    HA   ASP  29           HA       ASP  29   7.797 -13.521  -0.069
  247    HB2  ASP  29          1HB       ASP  29   7.020 -13.133   2.348
  248    HB3  ASP  29          2HB       ASP  29   6.749 -11.470   1.768
  249    HD2  ASP  29           HD       ASP  29   3.614 -13.353   1.485
  250    H    LEU  30           H        LEU  30   8.480 -12.462  -2.127
  251    HA   LEU  30           HA       LEU  30   7.617  -9.769  -2.608
  252    HB2  LEU  30          1HB       LEU  30   8.889 -11.988  -3.966
  253    HB3  LEU  30          2HB       LEU  30   8.152 -10.835  -5.104
  254    HG   LEU  30           HG       LEU  30   9.818  -9.342  -4.837
  255   HD11  LEU  30          1HD1      LEU  30  10.742  -8.698  -2.596
  256   HD12  LEU  30          2HD1      LEU  30   8.963  -8.716  -2.581
  257   HD13  LEU  30          3HD1      LEU  30   9.873 -10.066  -1.862
  258   HD21  LEU  30          1HD2      LEU  30  11.989 -10.257  -4.094
  259   HD22  LEU  30          2HD2      LEU  30  11.140 -11.656  -3.394
  260   HD23  LEU  30          3HD2      LEU  30  11.097 -11.377  -5.151
  261    H    THR  31           H        THR  31   6.136 -12.880  -2.487
  262    HA   THR  31           HA       THR  31   4.416 -12.544  -4.747
  263    HB   THR  31           HB       THR  31   4.283 -14.452  -2.359
  264    HG1  THR  31          1HG       THR  31   5.225 -15.916  -3.903
  265   HG21  THR  31          1HG2      THR  31   2.831 -15.815  -3.822
  266   HG22  THR  31          2HG2      THR  31   2.115 -14.214  -3.523
  267   HG23  THR  31          3HG2      THR  31   2.912 -14.556  -5.076
  268    H    ILE  32           H        ILE  32   4.094 -12.124  -1.182
  269    HA   ILE  32           HA       ILE  32   1.491 -10.882  -1.733
  270    HB   ILE  32           HB       ILE  32   2.273 -12.773   0.535
  271   HG12  ILE  32          1HG1      ILE  32   1.640 -13.855  -1.520
  272   HG13  ILE  32          2HG1      ILE  32   0.457 -14.128  -0.221
  273   HG21  ILE  32          1HG2      ILE  32   0.015 -12.345   1.446
  274   HG22  ILE  32          2HG2      ILE  32   0.987 -10.857   1.421
  275   HG23  ILE  32          3HG2      ILE  32  -0.264 -11.122   0.184
  276   HD11  ILE  32          1HD1      ILE  32  -0.666 -13.736  -2.378
  277   HD12  ILE  32          2HD1      ILE  32  -1.031 -12.436  -1.219
  278   HD13  ILE  32          3HD1      ILE  32   0.152 -12.164  -2.519
  279    HA   PRO  33           HA       PRO  33   3.432  -7.615   0.401
  280    HB2  PRO  33          1HB       PRO  33   1.440  -5.768   0.290
  281    HB3  PRO  33          2HB       PRO  33   2.392  -6.138  -1.154
  282    HG2  PRO  33          1HG       PRO  33  -0.303  -7.251  -0.308
  283    HG3  PRO  33          2HG       PRO  33   0.211  -6.675  -1.900
  284    HD2  PRO  33          1HD       PRO  33   0.173  -9.352  -1.282
  285    HD3  PRO  33          2HD       PRO  33   1.366  -8.681  -2.402
  286    H    VAL  34           H        VAL  34   3.190  -6.261   2.395
  287    HA   VAL  34           HA       VAL  34   1.913  -8.135   4.265
  288    HB   VAL  34           HB       VAL  34   3.817  -7.651   5.798
  289   HG11  VAL  34          1HG1      VAL  34   5.559  -8.895   4.561
  290   HG12  VAL  34          2HG1      VAL  34   3.950  -9.608   4.293
  291   HG13  VAL  34          3HG1      VAL  34   4.693  -8.590   3.036
  292   HG21  VAL  34          1HG2      VAL  34   5.797  -6.476   4.981
  293   HG22  VAL  34          2HG2      VAL  34   4.940  -6.084   3.472
  294   HG23  VAL  34          3HG2      VAL  34   4.364  -5.423   5.021
  295    H    LYS  35           H        LYS  35   2.351  -4.852   3.161
  296    HA   LYS  35           HA       LYS  35   0.514  -3.997   5.244
  297    HB2  LYS  35          1HB       LYS  35   3.240  -2.768   4.777
  298    HB3  LYS  35          2HB       LYS  35   1.930  -1.897   5.549
  299    HG2  LYS  35          1HG       LYS  35   1.737  -3.944   7.150
  300    HG3  LYS  35          2HG       LYS  35   3.287  -4.448   6.508
  301    HD2  LYS  35          1HD       LYS  35   3.904  -3.181   8.401
  302    HD3  LYS  35          2HD       LYS  35   4.106  -2.035   7.092
  303    HE2  LYS  35          1HE       LYS  35   1.918  -1.016   7.567
  304    HE3  LYS  35          2HE       LYS  35   1.552  -2.250   8.755
  305    HZ1  LYS  35          1HZ       LYS  35   3.890  -0.497   8.996
  306    HZ2  LYS  35          2HZ       LYS  35   2.435  -0.112   9.631
  307    H    ARG  36           H        ARG  36  -0.906  -2.367   4.556
  308    HA   ARG  36           HA       ARG  36  -0.366  -1.226   1.970
  309    HB2  ARG  36          1HB       ARG  36  -2.812  -2.848   2.532
  310    HB3  ARG  36          2HB       ARG  36  -2.645  -1.712   1.172
  311    HG2  ARG  36          1HG       ARG  36  -1.956  -3.533   0.034
  312    HG3  ARG  36          2HG       ARG  36  -0.406  -3.224   0.854
  313    HD2  ARG  36          1HD       ARG  36  -0.945  -5.531   0.990
  314    HD3  ARG  36          2HD       ARG  36  -1.064  -4.795   2.607
  315    HE   ARG  36           HE       ARG  36  -3.497  -5.301   2.534
  316   HH11  ARG  36          1HH       ARG  36  -3.348  -6.909  -1.060
  317   HH21  ARG  36          1HH2      ARG  36  -5.127  -6.337   1.989
  318   HH22  ARG  36          2HH2      ARG  36  -5.197  -7.112   0.419
  319    H    GLY  37           H        GLY  37  -1.482   0.810   1.641
  320    HA2  GLY  37          1HA       GLY  37  -3.495   1.759   3.399
  321    HA3  GLY  37          2HA       GLY  37  -1.923   2.338   3.914
  322    H    CYS  38           H        CYS  38  -2.915   4.504   3.358
  323    HA   CYS  38           HA       CYS  38  -2.961   4.968   0.479
  324    HB2  CYS  38          1HB       CYS  38  -3.802   6.524   3.038
  325    HB3  CYS  38          2HB       CYS  38  -4.139   7.108   1.390
  326    H    ILE  39           H        ILE  39  -1.663   6.768  -0.398
  327    HA   ILE  39           HA       ILE  39  -0.175   8.375   1.432
  328    HB   ILE  39           HB       ILE  39   1.312   6.318   1.135
  329   HG12  ILE  39          1HG1      ILE  39   2.579   8.730  -0.094
  330   HG13  ILE  39          2HG1      ILE  39   2.008   8.737   1.590
  331   HG21  ILE  39          1HG2      ILE  39   2.472   6.088  -1.035
  332   HG22  ILE  39          2HG2      ILE  39   0.721   5.841  -1.217
  333   HG23  ILE  39          3HG2      ILE  39   1.457   7.381  -1.716
  334   HD11  ILE  39          1HD1      ILE  39   4.410   8.202   1.467
  335   HD12  ILE  39          2HD1      ILE  39   3.477   6.824   2.096
  336   HD13  ILE  39          3HD1      ILE  39   4.048   6.818   0.411
  337    H    ASP  40           H        ASP  40   0.994  10.150   0.230
  338    HA   ASP  40           HA       ASP  40  -0.677  10.867  -1.990
  339    HB2  ASP  40          1HB       ASP  40   0.436  13.156  -1.690
  340    HB3  ASP  40          2HB       ASP  40  -0.455  12.383  -0.355
  341    HD2  ASP  40           HD       ASP  40   2.867  13.633   0.765
  342    H    VAL  41           H        VAL  41   2.845  10.536  -1.137
  343    HA   VAL  41           HA       VAL  41   3.435  10.484  -4.017
  344    HB   VAL  41           HB       VAL  41   5.206  11.338  -1.676
  345   HG11  VAL  41          1HG1      VAL  41   6.830  11.970  -3.430
  346   HG12  VAL  41          2HG1      VAL  41   6.482  10.224  -3.478
  347   HG13  VAL  41          3HG1      VAL  41   5.742  11.314  -4.675
  348   HG21  VAL  41          1HG2      VAL  41   5.108  13.566  -2.675
  349   HG22  VAL  41          2HG2      VAL  41   3.956  12.968  -3.893
  350   HG23  VAL  41          3HG2      VAL  41   3.503  12.988  -2.173
  351    H    CYS  42           H        CYS  42   4.384   8.660  -4.836
  352    HA   CYS  42           HA       CYS  42   4.245   6.393  -3.170
  353    HB2  CYS  42          1HB       CYS  42   3.694   6.421  -5.585
  354    HB3  CYS  42          2HB       CYS  42   5.391   6.647  -5.959
  355    HA   PRO  43           HA       PRO  43   8.363   6.760  -1.711
  356    HB2  PRO  43          1HB       PRO  43   8.465   4.565  -0.092
  357    HB3  PRO  43          2HB       PRO  43   7.579   6.013   0.406
  358    HG2  PRO  43          1HG       PRO  43   6.530   3.493  -0.918
  359    HG3  PRO  43          2HG       PRO  43   5.842   4.413   0.427
  360    HD2  PRO  43          1HD       PRO  43   4.909   4.701  -2.142
  361    HD3  PRO  43          2HD       PRO  43   4.899   6.051  -1.000
  362    H    LYS  44           H        LYS  44  10.413   6.196  -2.310
  363    HA   LYS  44           HA       LYS  44  10.486   4.484  -4.564
  364    HB2  LYS  44          1HB       LYS  44  12.643   5.719  -2.829
  365    HB3  LYS  44          2HB       LYS  44  12.962   4.822  -4.333
  366    HG2  LYS  44          1HG       LYS  44  11.667   6.487  -5.604
  367    HG3  LYS  44          2HG       LYS  44  11.349   7.386  -4.101
  368    HD2  LYS  44          1HD       LYS  44  13.751   7.773  -3.803
  369    HD3  LYS  44          2HD       LYS  44  14.095   6.838  -5.277
  370    HE2  LYS  44          1HE       LYS  44  12.816   8.460  -6.608
  371    HE3  LYS  44          2HE       LYS  44  12.469   9.395  -5.136
  372    HZ1  LYS  44          1HZ       LYS  44  14.312  10.322  -6.364
  373    HZ2  LYS  44          2HZ       LYS  44  14.830   9.773  -4.897
  374    H    ASN  45           H        ASN  45  11.898   2.534  -4.763
  375    HA   ASN  45           HA       ASN  45  11.041   0.763  -2.752
  376    HB2  ASN  45          1HB       ASN  45  12.771   0.072  -5.237
  377    HB3  ASN  45          2HB       ASN  45  12.104  -0.831  -3.855
  378   HD21  ASN  45          1HD2      ASN  45   9.891  -0.703  -6.982
  379   HD22  ASN  45          2HD2      ASN  45  11.612  -0.820  -6.835
  380    H    SER  46           H        SER  46  12.389  -0.441  -1.248
  381    HA   SER  46           HA       SER  46  15.072   0.669  -0.988
  382    HB2  SER  46          1HB       SER  46  14.919   0.124   1.381
  383    HB3  SER  46          2HB       SER  46  13.518   1.104   0.890
  384    HG   SER  46           HG       SER  46  12.299  -0.805   0.816
  385    H    LEU  47           H        LEU  47  16.466  -1.115   0.440
  386    HA   LEU  47           HA       LEU  47  16.723  -3.267  -1.420
  387    HB2  LEU  47          1HB       LEU  47  17.987  -2.529   1.145
  388    HB3  LEU  47          2HB       LEU  47  18.651  -3.892   0.216
  389    HG   LEU  47           HG       LEU  47  18.556  -0.978  -0.656
  390   HD11  LEU  47          1HD1      LEU  47  21.057  -1.137  -0.527
  391   HD12  LEU  47          2HD1      LEU  47  20.306  -1.463   1.053
  392   HD13  LEU  47          3HD1      LEU  47  20.905  -2.810   0.057
  393   HD21  LEU  47          1HD2      LEU  47  19.844  -1.728  -2.626
  394   HD22  LEU  47          2HD2      LEU  47  19.662  -3.414  -2.082
  395   HD23  LEU  47          3HD2      LEU  47  18.227  -2.466  -2.541
  396    H    LEU  48           H        LEU  48  15.126  -2.715   1.658
  397    HA   LEU  48           HA       LEU  48  15.159  -5.568   2.261
  398    HB2  LEU  48          1HB       LEU  48  14.246  -3.131   3.663
  399    HB3  LEU  48          2HB       LEU  48  14.114  -4.710   4.472
  400    HG   LEU  48           HG       LEU  48  16.675  -3.281   3.659
  401   HD11  LEU  48          1HD1      LEU  48  17.099  -3.229   6.130
  402   HD12  LEU  48          2HD1      LEU  48  15.597  -2.372   5.715
  403   HD13  LEU  48          3HD1      LEU  48  15.526  -4.012   6.402
  404   HD21  LEU  48          1HD2      LEU  48  17.854  -5.161   4.743
  405   HD22  LEU  48          2HD2      LEU  48  16.291  -5.982   4.982
  406   HD23  LEU  48          3HD2      LEU  48  16.894  -5.674   3.335
  407    H    VAL  49           H        VAL  49  12.894  -2.803   1.715
  408    HA   VAL  49           HA       VAL  49  10.802  -4.815   1.255
  409    HB   VAL  49           HB       VAL  49   9.178  -3.099   2.136
  410   HG11  VAL  49          1HG1      VAL  49   9.714  -3.425   4.528
  411   HG12  VAL  49          2HG1      VAL  49   9.984  -4.921   3.601
  412   HG13  VAL  49          3HG1      VAL  49  11.368  -3.914   4.091
  413   HG21  VAL  49          1HG2      VAL  49  10.013  -1.223   3.458
  414   HG22  VAL  49          2HG2      VAL  49  11.680  -1.632   2.983
  415   HG23  VAL  49          3HG2      VAL  49  10.505  -1.109   1.752
  416    H    LYS  50           H        LYS  50   9.322  -4.353  -0.447
  417    HA   LYS  50           HA       LYS  50  10.286  -2.235  -2.233
  418    HB2  LYS  50          1HB       LYS  50  10.442  -4.494  -3.138
  419    HB3  LYS  50          2HB       LYS  50   8.727  -4.783  -2.757
  420    HG2  LYS  50          1HG       LYS  50   8.089  -3.017  -4.369
  421    HG3  LYS  50          2HG       LYS  50   9.806  -2.787  -4.776
  422    HD2  LYS  50          1HD       LYS  50   9.953  -5.093  -5.574
  423    HD3  LYS  50          2HD       LYS  50   8.259  -5.379  -5.109
  424    HE2  LYS  50          1HE       LYS  50   7.556  -3.608  -6.694
  425    HE3  LYS  50          2HE       LYS  50   9.251  -3.413  -7.196
  426    HZ1  LYS  50          1HZ       LYS  50   8.037  -4.839  -8.700
  427    HZ2  LYS  50          2HZ       LYS  50   9.226  -5.697  -7.943
  428    H    TYR  51           H        TYR  51   8.768  -0.817  -3.226
  429    HA   TYR  51           HA       TYR  51   6.183  -0.778  -1.820
  430    HB2  TYR  51          1HB       TYR  51   7.913   1.485  -2.815
  431    HB3  TYR  51          2HB       TYR  51   6.266   1.664  -2.162
  432    HD1  TYR  51          1HD       TYR  51   9.790   1.064  -1.344
  433    HD2  TYR  51          2HD       TYR  51   5.835   1.290   0.234
  434    HE1  TYR  51          1HE       TYR  51  10.721   1.201   0.948
  435    HE2  TYR  51          2HE       TYR  51   6.746   1.427   2.528
  436    HH   TYR  51           HH       TYR  51  10.260   1.373   3.166
  437    H    VAL  52           H        VAL  52   4.398  -0.987  -3.082
  438    HA   VAL  52           HA       VAL  52   4.662  -0.105  -5.871
  439    HB   VAL  52           HB       VAL  52   2.984  -2.415  -4.788
  440   HG11  VAL  52          1HG1      VAL  52   2.434  -2.820  -7.166
  441   HG12  VAL  52          2HG1      VAL  52   1.885  -1.209  -6.646
  442   HG13  VAL  52          3HG1      VAL  52   3.362  -1.374  -7.626
  443   HG21  VAL  52          1HG2      VAL  52   4.428  -3.849  -6.141
  444   HG22  VAL  52          2HG2      VAL  52   5.428  -2.438  -6.564
  445   HG23  VAL  52          3HG2      VAL  52   5.336  -2.988  -4.875
  446    H    CYS  53           H        CYS  53   3.229   1.448  -6.492
  447    HA   CYS  53           HA       CYS  53   1.014   1.937  -4.634
  448    HB2  CYS  53          1HB       CYS  53   2.413   4.058  -6.260
  449    HB3  CYS  53          2HB       CYS  53   1.223   4.284  -4.992
  450    H    CYS  54           H        CYS  54  -0.957   2.848  -5.704
  451    HA   CYS  54           HA       CYS  54  -0.982   2.830  -8.576
  452    HB2  CYS  54          1HB       CYS  54  -2.992   1.280  -8.607
  453    HB3  CYS  54          2HB       CYS  54  -1.407   0.554  -8.440
  454    H    ASN  55           H        ASN  55  -3.051   3.882  -9.365
  455    HA   ASN  55           HA       ASN  55  -3.436   5.906  -7.323
  456    HB2  ASN  55          1HB       ASN  55  -3.477   7.582  -9.232
  457    HB3  ASN  55          2HB       ASN  55  -2.222   6.323  -9.129
  458   HD21  ASN  55          1HD2      ASN  55  -3.463   6.769 -12.637
  459   HD22  ASN  55          2HD2      ASN  55  -2.906   7.866 -11.417
  460    H    THR  56           H        THR  56  -5.129   3.463  -7.533
  461    HA   THR  56           HA       THR  56  -7.687   4.838  -7.937
  462    HB   THR  56           HB       THR  56  -8.622   2.702  -8.859
  463    HG1  THR  56          1HG       THR  56  -7.071   1.123  -9.575
  464   HG21  THR  56          1HG2      THR  56  -7.629   2.874 -11.114
  465   HG22  THR  56          2HG2      THR  56  -7.908   4.487 -10.412
  466   HG23  THR  56          3HG2      THR  56  -6.266   3.801 -10.443
  467    H    ASP  57           H        ASP  57  -9.517   3.293  -6.988
  468    HA   ASP  57           HA       ASP  57  -8.721   3.301  -4.260
  469    HB2  ASP  57          1HB       ASP  57 -11.450   2.861  -5.590
  470    HB3  ASP  57          2HB       ASP  57 -11.028   2.725  -3.865
  471    HD2  ASP  57           HD       ASP  57 -11.545   6.312  -5.313
  472    H    ARG  58           H        ARG  58  -8.546   1.440  -2.891
  473    HA   ARG  58           HA       ARG  58  -8.331  -0.638  -2.326
  474    HB2  ARG  58          1HB       ARG  58 -10.774  -1.020  -4.007
  475    HB3  ARG  58          2HB       ARG  58 -10.127  -2.195  -2.838
  476    HG2  ARG  58          1HG       ARG  58 -10.366  -0.353  -1.087
  477    HG3  ARG  58          2HG       ARG  58 -11.327   0.529  -2.299
  478    HD2  ARG  58          1HD       ARG  58 -12.771  -0.597  -0.790
  479    HD3  ARG  58          2HD       ARG  58 -12.872  -1.361  -2.394
  480    HE   ARG  58           HE       ARG  58 -11.099  -2.889  -0.601
  481   HH11  ARG  58          1HH       ARG  58 -14.913  -3.861  -0.796
  482   HH21  ARG  58          1HH2      ARG  58 -11.553  -4.722   0.078
  483   HH22  ARG  58          2HH2      ARG  58 -13.211  -5.291   0.046
  484    H    CYS  59           H        CYS  59  -6.729   0.162  -4.606
  485    HA   CYS  59           HA       CYS  59  -6.941  -1.962  -6.538
  486    HB2  CYS  59          1HB       CYS  59  -5.060  -0.825  -7.644
  487    HB3  CYS  59          2HB       CYS  59  -6.453   0.207  -7.394
  488    H    ASN  60           H        ASN  60  -5.121  -1.032  -3.637
  489    HA   ASN  60           HA       ASN  60  -3.144  -3.067  -4.180
  490    HB2  ASN  60          1HB       ASN  60  -1.944  -2.115  -2.244
  491    HB3  ASN  60          2HB       ASN  60  -2.430  -0.813  -3.311
  492   HD21  ASN  60          1HD2      ASN  60  -1.845  -0.034  -0.911
  493   HD22  ASN  60          2HD2      ASN  60  -3.226   0.332   0.068
  Start of MODEL   17
    1    H1   MET   0          1H        MET   0  -9.619  10.801   2.615
    2    H2   MET   0          2H        MET   0 -11.043  10.767   3.085
    3    H    MET   0           H        MET   0 -10.410   9.496   2.477
    4    H3   MET   0          3H        MET   0 -10.394   9.519   2.564
    5    HA   MET   0           HA       MET   0 -11.894  11.343   1.079
    6    HB2  MET   0          1HB       MET   0  -8.975  11.190   0.315
    7    HB3  MET   0          2HB       MET   0 -10.241  11.785  -0.785
    8    HG2  MET   0          1HG       MET   0 -10.772  13.591   0.771
    9    HG3  MET   0          2HG       MET   0  -9.556  12.980   1.917
   10    HE1  MET   0          1HE       MET   0  -8.657  15.004  -2.150
   11    HE2  MET   0          2HE       MET   0  -9.512  13.446  -2.032
   12    HE3  MET   0          3HE       MET   0 -10.259  14.925  -1.380
   13    H    LEU   1           H        LEU   1  -9.174   9.274  -0.145
   14    HA   LEU   1           HA       LEU   1 -11.099   7.746  -1.667
   15    HB2  LEU   1          1HB       LEU   1  -8.167   7.704  -1.303
   16    HB3  LEU   1          2HB       LEU   1  -8.910   6.604  -2.488
   17    HG   LEU   1           HG       LEU   1  -8.799   9.642  -2.580
   18   HD11  LEU   1          1HD1      LEU   1  -7.587   9.227  -4.737
   19   HD12  LEU   1          2HD1      LEU   1  -6.750   8.461  -3.366
   20   HD13  LEU   1          3HD1      LEU   1  -7.741   7.475  -4.468
   21   HD21  LEU   1          1HD2      LEU   1 -10.070   9.481  -4.694
   22   HD22  LEU   1          2HD2      LEU   1 -10.273   7.733  -4.416
   23   HD23  LEU   1          3HD2      LEU   1 -10.998   8.904  -3.288
   24    H    LYS   2           H        LYS   2 -10.257   5.197  -1.721
   25    HA   LYS   2           HA       LYS   2 -10.053   4.373   1.087
   26    HB2  LYS   2          1HB       LYS   2 -11.490   2.424   0.448
   27    HB3  LYS   2          2HB       LYS   2 -12.326   3.994   0.484
   28    HG2  LYS   2          1HG       LYS   2 -12.131   4.128  -1.985
   29    HG3  LYS   2          2HG       LYS   2 -11.367   2.521  -1.992
   30    HD2  LYS   2          1HD       LYS   2 -13.389   1.542  -1.001
   31    HD3  LYS   2          2HD       LYS   2 -14.155   3.149  -0.961
   32    HE2  LYS   2          1HE       LYS   2 -13.942   3.274  -3.431
   33    HE3  LYS   2          2HE       LYS   2 -13.271   1.626  -3.433
   34    HZ1  LYS   2          1HZ       LYS   2 -15.622   1.631  -3.921
   35    HZ2  LYS   2          2HZ       LYS   2 -15.344   0.852  -2.494
   36    H    CYS   3           H        CYS   3  -8.347   3.052   1.467
   37    HA   CYS   3           HA       CYS   3  -7.373   1.520  -0.835
   38    HB2  CYS   3          1HB       CYS   3  -5.748   2.567   1.490
   39    HB3  CYS   3          2HB       CYS   3  -5.143   1.573   0.180
   40    H    ASN   4           H        ASN   4  -6.098  -0.541   0.077
   41    HA   ASN   4           HA       ASN   4  -8.155  -1.782   1.675
   42    HB2  ASN   4          1HB       ASN   4  -6.063  -3.174  -0.150
   43    HB3  ASN   4          2HB       ASN   4  -7.199  -3.731   1.104
   44   HD21  ASN   4          1HD2      ASN   4  -8.524  -3.580  -2.525
   45   HD22  ASN   4          2HD2      ASN   4  -6.919  -3.910  -1.964
   46    H    LYS   5           H        LYS   5  -7.681  -2.780   3.709
   47    HA   LYS   5           HA       LYS   5  -5.180  -2.233   4.940
   48    HB2  LYS   5          1HB       LYS   5  -7.485  -4.065   5.665
   49    HB3  LYS   5          2HB       LYS   5  -6.091  -3.734   6.720
   50    HG2  LYS   5          1HG       LYS   5  -6.714  -1.328   6.734
   51    HG3  LYS   5          2HG       LYS   5  -8.150  -1.719   5.758
   52    HD2  LYS   5          1HD       LYS   5  -8.942  -3.225   7.555
   53    HD3  LYS   5          2HD       LYS   5  -7.522  -2.781   8.535
   54    HE2  LYS   5          1HE       LYS   5  -8.246  -0.444   8.555
   55    HE3  LYS   5          2HE       LYS   5  -9.644  -0.856   7.536
   56    HZ1  LYS   5          1HZ       LYS   5 -10.246  -0.713   9.856
   57    HZ2  LYS   5          2HZ       LYS   5 -10.445  -2.259   9.314
   58    H    LEU   6           H        LEU   6  -3.989  -4.223   6.070
   59    HA   LEU   6           HA       LEU   6  -3.073  -6.099   4.265
   60    HB2  LEU   6          1HB       LEU   6  -2.025  -5.552   6.402
   61    HB3  LEU   6          2HB       LEU   6  -3.358  -6.293   7.266
   62    HG   LEU   6           HG       LEU   6  -2.773  -8.486   6.285
   63   HD11  LEU   6          1HD1      LEU   6  -1.783  -7.883   4.201
   64   HD12  LEU   6          2HD1      LEU   6  -0.506  -6.942   5.007
   65   HD13  LEU   6          3HD1      LEU   6  -0.539  -8.714   5.163
   66   HD21  LEU   6          1HD2      LEU   6  -1.719  -7.365   8.440
   67   HD22  LEU   6          2HD2      LEU   6  -1.182  -8.958   7.854
   68   HD23  LEU   6          3HD2      LEU   6  -0.221  -7.506   7.488
   69    H    VAL   7           H        VAL   7  -5.968  -6.128   6.407
   70    HA   VAL   7           HA       VAL   7  -6.836  -8.653   5.368
   71    HB   VAL   7           HB       VAL   7  -8.313  -6.450   6.886
   72   HG11  VAL   7          1HG1      VAL   7 -10.023  -8.184   7.311
   73   HG12  VAL   7          2HG1      VAL   7  -9.856  -7.863   5.569
   74   HG13  VAL   7          3HG1      VAL   7  -9.126  -9.323   6.280
   75   HG21  VAL   7          1HG2      VAL   7  -8.088  -7.928   8.819
   76   HG22  VAL   7          2HG2      VAL   7  -7.121  -9.057   7.842
   77   HG23  VAL   7          3HG2      VAL   7  -6.508  -7.421   8.178
   78    HA   PRO   8           HA       PRO   8  -7.950  -6.846   1.667
   79    HB2  PRO   8          1HB       PRO   8  -8.687  -9.067   0.254
   80    HB3  PRO   8          2HB       PRO   8  -6.990  -8.766   0.653
   81    HG2  PRO   8          1HG       PRO   8  -9.022 -10.480   2.124
   82    HG3  PRO   8          2HG       PRO   8  -7.344 -10.856   1.709
   83    HD2  PRO   8          1HD       PRO   8  -8.012 -10.003   4.216
   84    HD3  PRO   8          2HD       PRO   8  -6.469  -9.543   3.488
   85    H    ILE   9           H        ILE   9 -10.165  -7.940   3.821
   86    HA   ILE   9           HA       ILE   9 -12.349  -7.147   2.025
   87    HB   ILE   9           HB       ILE   9 -13.830  -8.415   3.606
   88   HG12  ILE   9          1HG1      ILE   9 -11.287  -9.422   4.846
   89   HG13  ILE   9          2HG1      ILE   9 -12.278  -8.112   5.528
   90   HG21  ILE   9          1HG2      ILE   9 -13.109 -10.684   2.937
   91   HG22  ILE   9          2HG2      ILE   9 -12.952  -9.538   1.585
   92   HG23  ILE   9          3HG2      ILE   9 -11.508 -10.045   2.493
   93   HD11  ILE   9          1HD1      ILE   9 -12.783 -10.266   6.612
   94   HD12  ILE   9          2HD1      ILE   9 -14.191  -9.654   5.713
   95   HD13  ILE   9          3HD1      ILE   9 -13.200 -10.964   5.030
   96    H    ALA  10           H        ALA  10 -10.367  -5.545   3.775
   97    HA   ALA  10           HA       ALA  10 -12.470  -3.899   4.924
   98    HB1  ALA  10          1HB       ALA  10 -11.512  -5.496   6.697
   99    HB2  ALA  10          2HB       ALA  10  -9.990  -4.588   6.532
  100    HB3  ALA  10          3HB       ALA  10 -11.467  -3.759   7.078
  101    H    TYR  11           H        TYR  11 -11.999  -1.687   4.787
  102    HA   TYR  11           HA       TYR  11  -9.443  -1.090   3.456
  103    HB2  TYR  11          1HB       TYR  11 -10.599   0.539   2.117
  104    HB3  TYR  11          2HB       TYR  11 -11.285  -1.087   1.882
  105    HD1  TYR  11          1HD       TYR  11 -11.910   2.297   3.166
  106    HD2  TYR  11          2HD       TYR  11 -13.532  -1.617   2.702
  107    HE1  TYR  11          1HE       TYR  11 -14.163   3.177   3.699
  108    HE2  TYR  11          2HE       TYR  11 -15.788  -0.757   3.232
  109    HH   TYR  11           HH       TYR  11 -17.038   1.068   3.775
  110    H    LYS  12           H        LYS  12  -8.630   1.121   3.772
  111    HA   LYS  12           HA       LYS  12  -9.766   2.377   6.171
  112    HB2  LYS  12          1HB       LYS  12  -6.993   2.465   4.954
  113    HB3  LYS  12          2HB       LYS  12  -7.528   3.508   6.292
  114    HG2  LYS  12          1HG       LYS  12  -7.957   1.472   7.657
  115    HG3  LYS  12          2HG       LYS  12  -7.308   0.479   6.330
  116    HD2  LYS  12          1HD       LYS  12  -5.137   1.535   6.531
  117    HD3  LYS  12          2HD       LYS  12  -5.765   2.682   7.738
  118    HE2  LYS  12          1HE       LYS  12  -6.268   0.766   9.240
  119    HE3  LYS  12          2HE       LYS  12  -5.526  -0.326   8.048
  120    HZ1  LYS  12          1HZ       LYS  12  -3.984   0.270   9.789
  121    HZ2  LYS  12          2HZ       LYS  12  -3.459   0.863   8.342
  122    H    THR  13           H        THR  13 -10.183   4.636   6.144
  123    HA   THR  13           HA       THR  13 -10.489   5.789   3.510
  124    HB   THR  13           HB       THR  13 -10.913   6.961   6.304
  125    HG1  THR  13          1HG       THR  13 -13.143   6.541   5.788
  126   HG21  THR  13          1HG2      THR  13 -12.255   8.668   5.127
  127   HG22  THR  13          2HG2      THR  13 -10.566   8.681   4.565
  128   HG23  THR  13          3HG2      THR  13 -11.831   7.926   3.566
  129    H    CYS  14           H        CYS  14  -9.157   7.168   2.478
  130    HA   CYS  14           HA       CYS  14  -6.518   7.243   3.474
  131    HB2  CYS  14          1HB       CYS  14  -7.825   8.504   1.063
  132    HB3  CYS  14          2HB       CYS  14  -6.116   8.660   1.415
  133    HA   PRO  15           HA       PRO  15  -6.722  11.199   5.424
  134    HB2  PRO  15          1HB       PRO  15  -4.105  11.864   5.599
  135    HB3  PRO  15          2HB       PRO  15  -4.754  10.579   6.628
  136    HG2  PRO  15          1HG       PRO  15  -3.302  10.343   3.970
  137    HG3  PRO  15          2HG       PRO  15  -3.050   9.421   5.458
  138    HD2  PRO  15          1HD       PRO  15  -4.556   8.432   3.377
  139    HD3  PRO  15          2HD       PRO  15  -4.909   8.013   5.058
  140    H    GLU  16           H        GLU  16  -6.579  13.471   5.043
  141    HA   GLU  16           HA       GLU  16  -7.044  14.039   2.392
  142    HB2  GLU  16          1HB       GLU  16  -7.801  15.403   4.279
  143    HB3  GLU  16          2HB       GLU  16  -6.117  15.841   4.653
  144    HG2  GLU  16          1HG       GLU  16  -5.992  17.087   2.443
  145    HG3  GLU  16          2HG       GLU  16  -7.654  16.509   2.177
  146    HE2  GLU  16           HE       GLU  16  -7.829  19.817   3.677
  147    H    GLY  17           H        GLY  17  -5.766  14.728   0.667
  148    HA2  GLY  17          1HA       GLY  17  -3.882  15.785  -0.231
  149    HA3  GLY  17          2HA       GLY  17  -2.971  15.433   1.223
  150    H    LYS  18           H        LYS  18  -4.236  12.571   1.172
  151    HA   LYS  18           HA       LYS  18  -2.250  11.465  -0.633
  152    HB2  LYS  18          1HB       LYS  18  -4.104  10.312   1.464
  153    HB3  LYS  18          2HB       LYS  18  -3.092   9.301   0.405
  154    HG2  LYS  18          1HG       LYS  18  -2.119   9.690   2.683
  155    HG3  LYS  18          2HG       LYS  18  -1.074  10.215   1.341
  156    HD2  LYS  18          1HD       LYS  18  -1.764  12.528   1.660
  157    HD3  LYS  18          2HD       LYS  18  -2.913  12.039   2.927
  158    HE2  LYS  18          1HE       LYS  18  -1.067  11.245   4.320
  159    HE3  LYS  18          2HE       LYS  18   0.097  11.672   3.046
  160    HZ1  LYS  18          1HZ       LYS  18  -0.017  13.362   4.749
  161    HZ2  LYS  18          2HZ       LYS  18  -0.554  13.970   3.313
  162    H    ASN  19           H        ASN  19  -2.874   9.665  -2.137
  163    HA   ASN  19           HA       ASN  19  -5.521  10.026  -3.186
  164    HB2  ASN  19          1HB       ASN  19  -4.214  12.069  -4.202
  165    HB3  ASN  19          2HB       ASN  19  -3.130  10.711  -4.586
  166   HD21  ASN  19          1HD2      ASN  19  -4.509  10.391  -7.711
  167   HD22  ASN  19          2HD2      ASN  19  -3.118  10.470  -6.682
  168    H    LEU  20           H        LEU  20  -2.257   8.620  -3.134
  169    HA   LEU  20           HA       LEU  20  -3.042   6.539  -5.017
  170    HB2  LEU  20          1HB       LEU  20  -0.536   7.023  -3.530
  171    HB3  LEU  20          2HB       LEU  20  -0.610   5.920  -4.924
  172    HG   LEU  20           HG       LEU  20  -0.758   8.954  -4.907
  173   HD11  LEU  20          1HD1      LEU  20   1.166   8.729  -6.502
  174   HD12  LEU  20          2HD1      LEU  20   1.518   7.937  -4.949
  175   HD13  LEU  20          3HD1      LEU  20   1.055   6.959  -6.362
  176   HD21  LEU  20          1HD2      LEU  20  -1.183   8.838  -7.339
  177   HD22  LEU  20          2HD2      LEU  20  -1.343   7.069  -7.208
  178   HD23  LEU  20          3HD2      LEU  20  -2.503   8.131  -6.377
  179    H    CYS  21           H        CYS  21  -2.883   4.258  -4.435
  180    HA   CYS  21           HA       CYS  21  -2.809   3.832  -1.540
  181    HB2  CYS  21          1HB       CYS  21  -3.874   2.047  -3.735
  182    HB3  CYS  21          2HB       CYS  21  -3.803   1.618  -2.037
  183    H    TYR  22           H        TYR  22  -1.191   2.452  -0.685
  184    HA   TYR  22           HA       TYR  22   0.782   1.506  -2.652
  185    HB2  TYR  22          1HB       TYR  22   2.528   2.192  -1.289
  186    HB3  TYR  22          2HB       TYR  22   1.389   3.561  -1.312
  187    HD1  TYR  22          1HD       TYR  22   2.797   0.840   0.749
  188    HD2  TYR  22          2HD       TYR  22   0.206   4.226   0.695
  189    HE1  TYR  22          1HE       TYR  22   2.726   0.814   3.226
  190    HE2  TYR  22          2HE       TYR  22   0.123   4.215   3.166
  191    HH   TYR  22           HH       TYR  22   0.832   3.202   5.079
  192    H    LYS  23           H        LYS  23   1.838  -0.491  -2.187
  193    HA   LYS  23           HA       LYS  23   1.030  -1.770   0.321
  194    HB2  LYS  23          1HB       LYS  23   0.965  -3.924  -0.847
  195    HB3  LYS  23          2HB       LYS  23  -0.270  -2.796  -1.454
  196    HG2  LYS  23          1HG       LYS  23   1.063  -2.333  -3.433
  197    HG3  LYS  23          2HG       LYS  23   2.391  -3.342  -2.812
  198    HD2  LYS  23          1HD       LYS  23   0.919  -4.441  -4.556
  199    HD3  LYS  23          2HD       LYS  23   1.103  -5.337  -3.029
  200    HE2  LYS  23          1HE       LYS  23  -1.049  -4.497  -2.245
  201    HE3  LYS  23          2HE       LYS  23  -1.229  -3.525  -3.723
  202    HZ1  LYS  23          1HZ       LYS  23  -2.468  -5.578  -3.852
  203    HZ2  LYS  23          2HZ       LYS  23  -1.269  -5.569  -4.985
  204    H    MET  24           H        MET  24   2.642  -3.172   1.241
  205    HA   MET  24           HA       MET  24   5.276  -2.506   0.176
  206    HB2  MET  24          1HB       MET  24   4.332  -3.029   3.003
  207    HB3  MET  24          2HB       MET  24   6.037  -2.813   2.542
  208    HG2  MET  24          1HG       MET  24   5.581  -0.538   1.805
  209    HG3  MET  24          2HG       MET  24   3.849  -0.747   2.161
  210    HE1  MET  24          1HE       MET  24   7.113  -0.798   5.455
  211    HE2  MET  24          2HE       MET  24   6.810  -2.153   4.339
  212    HE3  MET  24          3HE       MET  24   7.479  -0.623   3.721
  213    H    PHE  25           H        PHE  25   6.805  -4.152  -0.120
  214    HA   PHE  25           HA       PHE  25   5.905  -6.840   0.651
  215    HB2  PHE  25          1HB       PHE  25   7.639  -5.937  -1.688
  216    HB3  PHE  25          2HB       PHE  25   7.350  -7.634  -1.241
  217    HD1  PHE  25          1HD       PHE  25   5.787  -4.544  -2.506
  218    HD2  PHE  25          2HD       PHE  25   5.354  -8.737  -1.810
  219    HE1  PHE  25          1HE       PHE  25   3.753  -4.566  -3.909
  220    HE2  PHE  25          2HE       PHE  25   3.321  -8.763  -3.214
  221    HZ   PHE  25           HZ       PHE  25   2.519  -6.675  -4.263
  222    H    MET  26           H        MET  26   7.693  -8.388   1.235
  223    HA   MET  26           HA       MET  26  10.159  -6.972   1.900
  224    HB2  MET  26          1HB       MET  26   8.920  -9.456   3.106
  225    HB3  MET  26          2HB       MET  26  10.557  -8.871   3.487
  226    HG2  MET  26          1HG       MET  26   9.609  -6.787   4.373
  227    HG3  MET  26          2HG       MET  26   7.970  -7.363   3.983
  228    HE1  MET  26          1HE       MET  26   8.066  -7.516   7.927
  229    HE2  MET  26          2HE       MET  26   8.858  -6.307   6.886
  230    HE3  MET  26          3HE       MET  26   7.214  -6.874   6.501
  231    H    MET  27           H        MET  27  12.166  -7.926   1.253
  232    HA   MET  27           HA       MET  27  12.127  -8.887  -1.257
  233    HB2  MET  27          1HB       MET  27  14.139  -9.122   0.973
  234    HB3  MET  27          2HB       MET  27  14.489  -9.747  -0.657
  235    HG2  MET  27          1HG       MET  27  13.809  -6.875   0.052
  236    HG3  MET  27          2HG       MET  27  15.434  -7.501  -0.318
  237    HE1  MET  27          1HE       MET  27  15.213  -8.373  -4.102
  238    HE2  MET  27          2HE       MET  27  16.275  -8.174  -2.686
  239    HE3  MET  27          3HE       MET  27  15.042  -9.459  -2.701
  240    H    SER  28           H        SER  28  11.913 -10.740   1.789
  241    HA   SER  28           HA       SER  28  12.197 -13.263   0.693
  242    HB2  SER  28          1HB       SER  28  12.164 -12.836   3.084
  243    HB3  SER  28          2HB       SER  28  10.480 -12.268   2.990
  244    HG   SER  28           HG       SER  28  10.648 -14.436   3.710
  245    H    ASP  29           H        ASP  29   9.038 -11.772   1.722
  246    HA   ASP  29           HA       ASP  29   7.747 -13.543  -0.126
  247    HB2  ASP  29          1HB       ASP  29   6.913 -13.217   2.282
  248    HB3  ASP  29          2HB       ASP  29   6.641 -11.543   1.736
  249    HD2  ASP  29           HD       ASP  29   3.525 -13.430   1.341
  250    H    LEU  30           H        LEU  30   8.441 -12.446  -2.152
  251    HA   LEU  30           HA       LEU  30   7.576  -9.751  -2.599
  252    HB2  LEU  30          1HB       LEU  30   8.860 -11.950  -3.979
  253    HB3  LEU  30          2HB       LEU  30   8.122 -10.790  -5.108
  254    HG   LEU  30           HG       LEU  30   9.780  -9.291  -4.821
  255   HD11  LEU  30          1HD1      LEU  30  10.695  -8.666  -2.571
  256   HD12  LEU  30          2HD1      LEU  30   8.916  -8.692  -2.560
  257   HD13  LEU  30          3HD1      LEU  30   9.830 -10.046  -1.853
  258   HD21  LEU  30          1HD2      LEU  30  11.953 -10.204  -4.081
  259   HD22  LEU  30          2HD2      LEU  30  11.107 -11.614  -3.398
  260   HD23  LEU  30          3HD2      LEU  30  11.069 -11.317  -5.153
  261    H    THR  31           H        THR  31   6.103 -12.870  -2.547
  262    HA   THR  31           HA       THR  31   4.388 -12.495  -4.800
  263    HB   THR  31           HB       THR  31   4.244 -14.437  -2.443
  264    HG1  THR  31          1HG       THR  31   5.176 -15.882  -4.010
  265   HG21  THR  31          1HG2      THR  31   2.783 -15.770  -3.922
  266   HG22  THR  31          2HG2      THR  31   2.075 -14.170  -3.598
  267   HG23  THR  31          3HG2      THR  31   2.867 -14.493  -5.159
  268    H    ILE  32           H        ILE  32   4.057 -12.112  -1.236
  269    HA   ILE  32           HA       ILE  32   1.466 -10.846  -1.782
  270    HB   ILE  32           HB       ILE  32   2.225 -12.759   0.475
  271   HG12  ILE  32          1HG1      ILE  32   1.592 -13.823  -1.590
  272   HG13  ILE  32          2HG1      ILE  32   0.403 -14.097  -0.296
  273   HG21  ILE  32          1HG2      ILE  32  -0.032 -12.322   1.381
  274   HG22  ILE  32          2HG2      ILE  32   0.951 -10.839   1.369
  275   HG23  ILE  32          3HG2      ILE  32  -0.298 -11.088   0.126
  276   HD11  ILE  32          1HD1      ILE  32  -0.710 -13.683  -2.454
  277   HD12  ILE  32          2HD1      ILE  32  -1.069 -12.387  -1.287
  278   HD13  ILE  32          3HD1      ILE  32   0.120 -12.115  -2.582
  279    HA   PRO  33           HA       PRO  33   3.432  -7.600   0.352
  280    HB2  PRO  33          1HB       PRO  33   1.423  -5.764   0.319
  281    HB3  PRO  33          2HB       PRO  33   2.352  -6.103  -1.148
  282    HG2  PRO  33          1HG       PRO  33  -0.319  -7.253  -0.275
  283    HG3  PRO  33          2HG       PRO  33   0.163  -6.646  -1.865
  284    HD2  PRO  33          1HD       PRO  33   0.156  -9.332  -1.300
  285    HD3  PRO  33          2HD       PRO  33   1.339  -8.632  -2.414
  286    H    VAL  34           H        VAL  34   3.217  -6.239   2.359
  287    HA   VAL  34           HA       VAL  34   2.055  -8.165   4.252
  288    HB   VAL  34           HB       VAL  34   3.984  -7.634   5.731
  289   HG11  VAL  34          1HG1      VAL  34   5.739  -8.784   4.422
  290   HG12  VAL  34          2HG1      VAL  34   4.154  -9.558   4.188
  291   HG13  VAL  34          3HG1      VAL  34   4.819  -8.489   2.929
  292   HG21  VAL  34          1HG2      VAL  34   5.891  -6.364   4.880
  293   HG22  VAL  34          2HG2      VAL  34   4.975  -5.984   3.401
  294   HG23  VAL  34          3HG2      VAL  34   4.418  -5.372   4.978
  295    H    LYS  35           H        LYS  35   2.331  -4.864   3.157
  296    HA   LYS  35           HA       LYS  35   0.448  -4.114   5.224
  297    HB2  LYS  35          1HB       LYS  35   3.104  -2.743   4.737
  298    HB3  LYS  35          2HB       LYS  35   1.735  -1.962   5.562
  299    HG2  LYS  35          1HG       LYS  35   1.808  -3.911   7.212
  300    HG3  LYS  35          2HG       LYS  35   3.375  -4.335   6.483
  301    HD2  LYS  35          1HD       LYS  35   3.948  -3.008   8.339
  302    HD3  LYS  35          2HD       LYS  35   4.047  -1.896   6.953
  303    HE2  LYS  35          1HE       LYS  35   1.890  -0.958   7.467
  304    HE3  LYS  35          2HE       LYS  35   1.607  -2.180   8.727
  305    HZ1  LYS  35          1HZ       LYS  35   2.298  -0.078   9.663
  306    HZ2  LYS  35          2HZ       LYS  35   3.437  -1.233   9.964
  307    H    ARG  36           H        ARG  36  -0.954  -2.432   4.561
  308    HA   ARG  36           HA       ARG  36  -0.368  -1.258   1.997
  309    HB2  ARG  36          1HB       ARG  36  -2.842  -2.854   2.513
  310    HB3  ARG  36          2HB       ARG  36  -2.638  -1.711   1.165
  311    HG2  ARG  36          1HG       ARG  36  -1.966  -3.540   0.028
  312    HG3  ARG  36          2HG       ARG  36  -0.419  -3.249   0.859
  313    HD2  ARG  36          1HD       ARG  36  -0.990  -5.553   0.979
  314    HD3  ARG  36          2HD       ARG  36  -1.093  -4.821   2.597
  315    HE   ARG  36           HE       ARG  36  -3.533  -5.293   2.532
  316   HH11  ARG  36          1HH       ARG  36  -3.421  -6.886  -1.070
  317   HH21  ARG  36          1HH2      ARG  36  -5.180  -6.303   1.989
  318   HH22  ARG  36          2HH2      ARG  36  -5.268  -7.070   0.415
  319    H    GLY  37           H        GLY  37  -1.497   0.782   1.664
  320    HA2  GLY  37          1HA       GLY  37  -3.506   1.721   3.435
  321    HA3  GLY  37          2HA       GLY  37  -1.934   2.311   3.935
  322    H    CYS  38           H        CYS  38  -2.957   4.468   3.381
  323    HA   CYS  38           HA       CYS  38  -3.004   4.931   0.502
  324    HB2  CYS  38          1HB       CYS  38  -3.836   6.485   3.067
  325    HB3  CYS  38          2HB       CYS  38  -4.170   7.078   1.422
  326    H    ILE  39           H        ILE  39  -1.707   6.730  -0.379
  327    HA   ILE  39           HA       ILE  39  -0.191   8.323   1.437
  328    HB   ILE  39           HB       ILE  39   1.273   6.248   1.136
  329   HG12  ILE  39          1HG1      ILE  39   2.561   8.644  -0.101
  330   HG13  ILE  39          2HG1      ILE  39   1.998   8.659   1.587
  331   HG21  ILE  39          1HG2      ILE  39   2.420   6.003  -1.039
  332   HG22  ILE  39          2HG2      ILE  39   0.664   5.775  -1.213
  333   HG23  ILE  39          3HG2      ILE  39   1.416   7.308  -1.716
  334   HD11  ILE  39          1HD1      ILE  39   4.393   8.096   1.453
  335   HD12  ILE  39          2HD1      ILE  39   3.447   6.729   2.087
  336   HD13  ILE  39          3HD1      ILE  39   4.011   6.715   0.400
  337    H    ASP  40           H        ASP  40   0.994  10.079   0.225
  338    HA   ASP  40           HA       ASP  40  -0.676  10.808  -1.993
  339    HB2  ASP  40          1HB       ASP  40   0.471  13.083  -1.708
  340    HB3  ASP  40          2HB       ASP  40  -0.432  12.330  -0.370
  341    HD2  ASP  40           HD       ASP  40   2.907  13.536   0.746
  342    H    VAL  41           H        VAL  41   2.843  10.427  -1.152
  343    HA   VAL  41           HA       VAL  41   3.419  10.341  -4.033
  344    HB   VAL  41           HB       VAL  41   5.213  11.199  -1.711
  345   HG11  VAL  41          1HG1      VAL  41   6.837  11.787  -3.480
  346   HG12  VAL  41          2HG1      VAL  41   6.466  10.047  -3.506
  347   HG13  VAL  41          3HG1      VAL  41   5.733  11.132  -4.712
  348   HG21  VAL  41          1HG2      VAL  41   5.141  13.415  -2.736
  349   HG22  VAL  41          2HG2      VAL  41   3.975  12.819  -3.941
  350   HG23  VAL  41          3HG2      VAL  41   3.529  12.865  -2.219
  351    H    CYS  42           H        CYS  42   4.282   8.477  -4.830
  352    HA   CYS  42           HA       CYS  42   4.280   6.242  -3.115
  353    HB2  CYS  42          1HB       CYS  42   3.618   6.150  -5.473
  354    HB3  CYS  42          2HB       CYS  42   5.260   6.514  -5.966
  355    HA   PRO  43           HA       PRO  43   8.442   6.795  -1.834
  356    HB2  PRO  43          1HB       PRO  43   8.660   4.692  -0.112
  357    HB3  PRO  43          2HB       PRO  43   7.757   6.142   0.347
  358    HG2  PRO  43          1HG       PRO  43   6.722   3.533  -0.804
  359    HG3  PRO  43          2HG       PRO  43   6.063   4.506   0.519
  360    HD2  PRO  43          1HD       PRO  43   5.026   4.638  -2.024
  361    HD3  PRO  43          2HD       PRO  43   5.024   6.043  -0.952
  362    H    LYS  44           H        LYS  44  10.497   6.209  -2.431
  363    HA   LYS  44           HA       LYS  44  10.535   4.437  -4.634
  364    HB2  LYS  44          1HB       LYS  44  12.721   5.710  -2.962
  365    HB3  LYS  44          2HB       LYS  44  13.017   4.774  -4.446
  366    HG2  LYS  44          1HG       LYS  44  11.709   6.410  -5.741
  367    HG3  LYS  44          2HG       LYS  44  11.414   7.347  -4.256
  368    HD2  LYS  44          1HD       LYS  44  13.821   7.735  -4.001
  369    HD3  LYS  44          2HD       LYS  44  14.142   6.763  -5.457
  370    HE2  LYS  44          1HE       LYS  44  12.848   8.355  -6.809
  371    HE3  LYS  44          2HE       LYS  44  12.525   9.328  -5.356
  372    HZ1  LYS  44          1HZ       LYS  44  14.353  10.218  -6.634
  373    HZ2  LYS  44          2HZ       LYS  44  14.890   9.703  -5.161
  374    H    ASN  45           H        ASN  45  11.961   2.485  -4.804
  375    HA   ASN  45           HA       ASN  45  11.087   0.760  -2.758
  376    HB2  ASN  45          1HB       ASN  45  12.810   0.001  -5.227
  377    HB3  ASN  45          2HB       ASN  45  12.128  -0.865  -3.829
  378   HD21  ASN  45          1HD2      ASN  45   9.923  -0.769  -6.964
  379   HD22  ASN  45          2HD2      ASN  45  11.644  -0.908  -6.808
  380    H    SER  46           H        SER  46  12.425  -0.431  -1.235
  381    HA   SER  46           HA       SER  46  15.115   0.663  -0.988
  382    HB2  SER  46          1HB       SER  46  14.961   0.117   1.382
  383    HB3  SER  46          2HB       SER  46  13.566   1.105   0.892
  384    HG   SER  46           HG       SER  46  12.341  -0.810   0.807
  385    H    LEU  47           H        LEU  47  16.507  -1.122   0.439
  386    HA   LEU  47           HA       LEU  47  16.759  -3.276  -1.421
  387    HB2  LEU  47          1HB       LEU  47  18.030  -2.538   1.139
  388    HB3  LEU  47          2HB       LEU  47  18.690  -3.902   0.208
  389    HG   LEU  47           HG       LEU  47  18.595  -0.987  -0.663
  390   HD11  LEU  47          1HD1      LEU  47  21.095  -1.146  -0.539
  391   HD12  LEU  47          2HD1      LEU  47  20.348  -1.472   1.042
  392   HD13  LEU  47          3HD1      LEU  47  20.944  -2.820   0.045
  393   HD21  LEU  47          1HD2      LEU  47  19.877  -1.738  -2.636
  394   HD22  LEU  47          2HD2      LEU  47  19.696  -3.423  -2.091
  395   HD23  LEU  47          3HD2      LEU  47  18.260  -2.475  -2.547
  396    H    LEU  48           H        LEU  48  15.167  -2.721   1.660
  397    HA   LEU  48           HA       LEU  48  15.198  -5.572   2.262
  398    HB2  LEU  48          1HB       LEU  48  14.295  -3.133   3.666
  399    HB3  LEU  48          2HB       LEU  48  14.160  -4.711   4.475
  400    HG   LEU  48           HG       LEU  48  16.723  -3.290   3.654
  401   HD11  LEU  48          1HD1      LEU  48  17.155  -3.237   6.125
  402   HD12  LEU  48          2HD1      LEU  48  15.654  -2.377   5.713
  403   HD13  LEU  48          3HD1      LEU  48  15.580  -4.016   6.401
  404   HD21  LEU  48          1HD2      LEU  48  17.900  -5.172   4.736
  405   HD22  LEU  48          2HD2      LEU  48  16.336  -5.988   4.980
  406   HD23  LEU  48          3HD2      LEU  48  16.934  -5.683   3.332
  407    H    VAL  49           H        VAL  49  12.934  -2.804   1.723
  408    HA   VAL  49           HA       VAL  49  10.838  -4.811   1.268
  409    HB   VAL  49           HB       VAL  49   9.220  -3.092   2.143
  410   HG11  VAL  49          1HG1      VAL  49   9.753  -3.418   4.535
  411   HG12  VAL  49          2HG1      VAL  49  10.019  -4.915   3.609
  412   HG13  VAL  49          3HG1      VAL  49  11.406  -3.912   4.100
  413   HG21  VAL  49          1HG2      VAL  49  10.061  -1.217   3.466
  414   HG22  VAL  49          2HG2      VAL  49  11.726  -1.632   2.992
  415   HG23  VAL  49          3HG2      VAL  49  10.554  -1.106   1.760
  416    H    LYS  50           H        LYS  50   9.367  -4.360  -0.440
  417    HA   LYS  50           HA       LYS  50  10.325  -2.241  -2.229
  418    HB2  LYS  50          1HB       LYS  50  10.447  -4.499  -3.140
  419    HB3  LYS  50          2HB       LYS  50   8.735  -4.773  -2.737
  420    HG2  LYS  50          1HG       LYS  50   8.092  -3.000  -4.341
  421    HG3  LYS  50          2HG       LYS  50   9.807  -2.786  -4.769
  422    HD2  LYS  50          1HD       LYS  50   9.920  -5.096  -5.566
  423    HD3  LYS  50          2HD       LYS  50   8.227  -5.361  -5.085
  424    HE2  LYS  50          1HE       LYS  50   7.533  -3.579  -6.664
  425    HE3  LYS  50          2HE       LYS  50   9.225  -3.409  -7.182
  426    HZ1  LYS  50          1HZ       LYS  50   7.977  -4.817  -8.673
  427    HZ2  LYS  50          2HZ       LYS  50   9.159  -5.691  -7.927
  428    H    TYR  51           H        TYR  51   8.815  -0.803  -3.201
  429    HA   TYR  51           HA       TYR  51   6.240  -0.743  -1.775
  430    HB2  TYR  51          1HB       TYR  51   7.988   1.507  -2.776
  431    HB3  TYR  51          2HB       TYR  51   6.345   1.701  -2.115
  432    HD1  TYR  51          1HD       TYR  51   9.868   1.128  -1.318
  433    HD2  TYR  51          2HD       TYR  51   5.920   1.265   0.286
  434    HE1  TYR  51          1HE       TYR  51  10.811   1.251   0.969
  435    HE2  TYR  51          2HE       TYR  51   6.843   1.388   2.576
  436    HH   TYR  51           HH       TYR  51   8.725   1.445   3.857
  437    H    VAL  52           H        VAL  52   4.437  -0.901  -3.020
  438    HA   VAL  52           HA       VAL  52   4.702  -0.048  -5.819
  439    HB   VAL  52           HB       VAL  52   2.992  -2.322  -4.704
  440   HG11  VAL  52          1HG1      VAL  52   2.417  -2.738  -7.073
  441   HG12  VAL  52          2HG1      VAL  52   1.899  -1.113  -6.564
  442   HG13  VAL  52          3HG1      VAL  52   3.365  -1.311  -7.554
  443   HG21  VAL  52          1HG2      VAL  52   4.402  -3.791  -6.055
  444   HG22  VAL  52          2HG2      VAL  52   5.422  -2.402  -6.500
  445   HG23  VAL  52          3HG2      VAL  52   5.334  -2.936  -4.804
  446    H    CYS  53           H        CYS  53   3.270   1.501  -6.464
  447    HA   CYS  53           HA       CYS  53   1.062   2.029  -4.612
  448    HB2  CYS  53          1HB       CYS  53   2.461   4.093  -6.314
  449    HB3  CYS  53          2HB       CYS  53   1.240   4.371  -5.087
  450    H    CYS  54           H        CYS  54  -0.938   2.844  -5.687
  451    HA   CYS  54           HA       CYS  54  -0.958   2.811  -8.560
  452    HB2  CYS  54          1HB       CYS  54  -2.956   1.250  -8.586
  453    HB3  CYS  54          2HB       CYS  54  -1.368   0.531  -8.398
  454    H    ASN  55           H        ASN  55  -3.034   3.851  -9.357
  455    HA   ASN  55           HA       ASN  55  -3.413   5.890  -7.330
  456    HB2  ASN  55          1HB       ASN  55  -3.442   7.553  -9.248
  457    HB3  ASN  55          2HB       ASN  55  -2.193   6.290  -9.134
  458   HD21  ASN  55          1HD2      ASN  55  -3.425   6.722 -12.647
  459   HD22  ASN  55          2HD2      ASN  55  -2.868   7.824 -11.433
  460    H    THR  56           H        THR  56  -5.116   3.452  -7.530
  461    HA   THR  56           HA       THR  56  -7.665   4.840  -7.928
  462    HB   THR  56           HB       THR  56  -8.616   2.709  -8.852
  463    HG1  THR  56          1HG       THR  56  -7.071   1.134  -9.592
  464   HG21  THR  56          1HG2      THR  56  -7.640   2.897 -11.113
  465   HG22  THR  56          2HG2      THR  56  -7.912   4.504 -10.399
  466   HG23  THR  56          3HG2      THR  56  -6.272   3.818 -10.447
  467    H    ASP  57           H        ASP  57  -9.504   3.325  -6.970
  468    HA   ASP  57           HA       ASP  57  -8.689   3.312  -4.249
  469    HB2  ASP  57          1HB       ASP  57 -11.432   2.907  -5.567
  470    HB3  ASP  57          2HB       ASP  57 -11.002   2.765  -3.843
  471    HD2  ASP  57           HD       ASP  57 -11.488   6.358  -5.288
  472    H    ARG  58           H        ARG  58  -8.540   1.449  -2.882
  473    HA   ARG  58           HA       ARG  58  -8.321  -0.633  -2.327
  474    HB2  ARG  58          1HB       ARG  58 -10.767  -1.007  -4.009
  475    HB3  ARG  58          2HB       ARG  58 -10.118  -2.187  -2.847
  476    HG2  ARG  58          1HG       ARG  58 -10.360  -0.362  -1.082
  477    HG3  ARG  58          2HG       ARG  58 -11.313   0.535  -2.288
  478    HD2  ARG  58          1HD       ARG  58 -12.769  -0.595  -0.799
  479    HD3  ARG  58          2HD       ARG  58 -12.863  -1.353  -2.405
  480    HE   ARG  58           HE       ARG  58 -11.103  -2.895  -0.615
  481   HH11  ARG  58          1HH       ARG  58 -14.924  -3.841  -0.800
  482   HH21  ARG  58          1HH2      ARG  58 -11.568  -4.725   0.062
  483   HH22  ARG  58          2HH2      ARG  58 -13.229  -5.283   0.036
  484    H    CYS  59           H        CYS  59  -6.729   0.186  -4.613
  485    HA   CYS  59           HA       CYS  59  -6.927  -1.930  -6.549
  486    HB2  CYS  59          1HB       CYS  59  -5.039  -0.795  -7.637
  487    HB3  CYS  59          2HB       CYS  59  -6.425   0.247  -7.383
  488    H    ASN  60           H        ASN  60  -5.130  -1.028  -3.627
  489    HA   ASN  60           HA       ASN  60  -3.159  -3.069  -4.170
  490    HB2  ASN  60          1HB       ASN  60  -1.952  -2.121  -2.234
  491    HB3  ASN  60          2HB       ASN  60  -2.425  -0.820  -3.309
  492   HD21  ASN  60          1HD2      ASN  60  -1.834  -0.037  -0.909
  493   HD22  ASN  60          2HD2      ASN  60  -3.213   0.346   0.066
  Start of MODEL   18
    1    H1   MET   0          1H        MET   0 -12.585  12.161   1.396
    2    H2   MET   0          2H        MET   0 -11.887  12.684   0.176
    3    H    MET   0           H        MET   0 -12.788  11.435   0.062
    4    H3   MET   0          3H        MET   0 -12.824  11.518   0.062
    5    HA   MET   0           HA       MET   0 -10.067  11.386   0.456
    6    HB2  MET   0          1HB       MET   0 -11.724  10.371   2.769
    7    HB3  MET   0          2HB       MET   0 -10.038   9.875   2.490
    8    HG2  MET   0          1HG       MET   0  -9.257  12.130   2.798
    9    HG3  MET   0          2HG       MET   0 -10.924  12.747   2.869
   10    HE1  MET   0          1HE       MET   0  -9.725  13.318   6.558
   11    HE2  MET   0          2HE       MET   0  -8.779  13.527   5.063
   12    HE3  MET   0          3HE       MET   0 -10.481  14.049   5.122
   13    H    LEU   1           H        LEU   1  -9.149   9.260  -0.034
   14    HA   LEU   1           HA       LEU   1 -11.069   7.740  -1.584
   15    HB2  LEU   1          1HB       LEU   1  -8.137   7.718  -1.237
   16    HB3  LEU   1          2HB       LEU   1  -8.880   6.620  -2.422
   17    HG   LEU   1           HG       LEU   1  -8.785   9.659  -2.500
   18   HD11  LEU   1          1HD1      LEU   1  -7.585   9.259  -4.667
   19   HD12  LEU   1          2HD1      LEU   1  -6.735   8.490  -3.306
   20   HD13  LEU   1          3HD1      LEU   1  -7.729   7.505  -4.405
   21   HD21  LEU   1          1HD2      LEU   1 -10.068   9.501  -4.606
   22   HD22  LEU   1          2HD2      LEU   1 -10.261   7.752  -4.337
   23   HD23  LEU   1          3HD2      LEU   1 -10.984   8.914  -3.198
   24    H    LYS   2           H        LYS   2 -10.204   5.199  -1.641
   25    HA   LYS   2           HA       LYS   2 -10.022   4.369   1.163
   26    HB2  LYS   2          1HB       LYS   2 -11.485   2.407   0.394
   27    HB3  LYS   2          2HB       LYS   2 -12.275   3.969   0.711
   28    HG2  LYS   2          1HG       LYS   2 -12.122   4.410  -1.789
   29    HG3  LYS   2          2HG       LYS   2 -11.643   2.706  -1.971
   30    HD2  LYS   2          1HD       LYS   2 -13.890   2.427  -2.236
   31    HD3  LYS   2          2HD       LYS   2 -13.834   2.362  -0.458
   32    HE2  LYS   2          1HE       LYS   2 -14.076   5.052  -1.709
   33    HE3  LYS   2          2HE       LYS   2 -15.493   3.984  -1.823
   34    HZ1  LYS   2          1HZ       LYS   2 -15.565   5.347   0.152
   35    HZ2  LYS   2          2HZ       LYS   2 -15.433   3.756   0.568
   36    H    CYS   3           H        CYS   3  -8.238   3.160   1.484
   37    HA   CYS   3           HA       CYS   3  -7.342   1.553  -0.799
   38    HB2  CYS   3          1HB       CYS   3  -5.674   2.650   1.472
   39    HB3  CYS   3          2HB       CYS   3  -5.091   1.635   0.167
   40    H    ASN   4           H        ASN   4  -6.046  -0.495   0.112
   41    HA   ASN   4           HA       ASN   4  -8.125  -1.718   1.692
   42    HB2  ASN   4          1HB       ASN   4  -6.052  -3.095  -0.163
   43    HB3  ASN   4          2HB       ASN   4  -7.134  -3.681   1.123
   44   HD21  ASN   4          1HD2      ASN   4  -8.575  -3.524  -2.467
   45   HD22  ASN   4          2HD2      ASN   4  -6.941  -3.806  -1.965
   46    H    LYS   5           H        LYS   5  -7.684  -2.742   3.721
   47    HA   LYS   5           HA       LYS   5  -5.193  -2.272   4.991
   48    HB2  LYS   5          1HB       LYS   5  -7.488  -4.150   5.621
   49    HB3  LYS   5          2HB       LYS   5  -6.118  -3.817   6.708
   50    HG2  LYS   5          1HG       LYS   5  -6.789  -1.438   6.801
   51    HG3  LYS   5          2HG       LYS   5  -8.181  -1.802   5.752
   52    HD2  LYS   5          1HD       LYS   5  -9.011  -3.402   7.461
   53    HD3  LYS   5          2HD       LYS   5  -7.652  -2.948   8.516
   54    HE2  LYS   5          1HE       LYS   5  -8.443  -0.638   8.578
   55    HE3  LYS   5          2HE       LYS   5  -9.773  -1.047   7.471
   56    HZ1  LYS   5          1HZ       LYS   5 -10.502  -0.998   9.759
   57    HZ2  LYS   5          2HZ       LYS   5 -10.633  -2.529   9.156
   58    H    LEU   6           H        LEU   6  -4.021  -4.312   6.054
   59    HA   LEU   6           HA       LEU   6  -3.078  -6.112   4.190
   60    HB2  LEU   6          1HB       LEU   6  -2.128  -5.712   6.256
   61    HB3  LEU   6          2HB       LEU   6  -3.458  -6.379   7.232
   62    HG   LEU   6           HG       LEU   6  -3.018  -8.617   6.214
   63   HD11  LEU   6          1HD1      LEU   6  -0.833  -8.955   5.028
   64   HD12  LEU   6          2HD1      LEU   6  -1.881  -7.821   4.143
   65   HD13  LEU   6          3HD1      LEU   6  -0.528  -7.204   5.123
   66   HD21  LEU   6          1HD2      LEU   6  -0.972  -9.094   7.516
   67   HD22  LEU   6          2HD2      LEU   6  -0.677  -7.343   7.660
   68   HD23  LEU   6          3HD2      LEU   6  -2.125  -8.066   8.402
   69    H    VAL   7           H        VAL   7  -6.009  -6.238   6.285
   70    HA   VAL   7           HA       VAL   7  -6.866  -8.716   5.143
   71    HB   VAL   7           HB       VAL   7  -8.373  -6.546   6.678
   72   HG11  VAL   7          1HG1      VAL   7 -10.102  -8.280   7.015
   73   HG12  VAL   7          2HG1      VAL   7  -9.888  -7.917   5.286
   74   HG13  VAL   7          3HG1      VAL   7  -9.183  -9.398   5.977
   75   HG21  VAL   7          1HG2      VAL   7  -8.205  -8.072   8.578
   76   HG22  VAL   7          2HG2      VAL   7  -7.218  -9.183   7.597
   77   HG23  VAL   7          3HG2      VAL   7  -6.606  -7.558   7.991
   78    HA   PRO   8           HA       PRO   8  -7.883  -6.807   1.460
   79    HB2  PRO   8          1HB       PRO   8  -8.582  -8.990  -0.030
   80    HB3  PRO   8          2HB       PRO   8  -6.896  -8.700   0.420
   81    HG2  PRO   8          1HG       PRO   8  -8.961 -10.453   1.793
   82    HG3  PRO   8          2HG       PRO   8  -7.273 -10.818   1.408
   83    HD2  PRO   8          1HD       PRO   8  -8.004 -10.033   3.922
   84    HD3  PRO   8          2HD       PRO   8  -6.442  -9.555   3.243
   85    H    ILE   9           H        ILE   9 -10.146  -7.975   3.531
   86    HA   ILE   9           HA       ILE   9 -12.292  -7.139   1.707
   87    HB   ILE   9           HB       ILE   9 -13.802  -8.463   3.212
   88   HG12  ILE   9          1HG1      ILE   9 -11.284  -9.489   4.486
   89   HG13  ILE   9          2HG1      ILE   9 -12.303  -8.207   5.182
   90   HG21  ILE   9          1HG2      ILE   9 -13.050 -10.705   2.496
   91   HG22  ILE   9          2HG2      ILE   9 -12.867  -9.520   1.182
   92   HG23  ILE   9          3HG2      ILE   9 -11.443 -10.045   2.111
   93   HD11  ILE   9          1HD1      ILE   9 -12.817 -10.397   6.188
   94   HD12  ILE   9          2HD1      ILE   9 -14.207  -9.768   5.271
   95   HD13  ILE   9          3HD1      ILE   9 -13.187 -11.050   4.576
   96    H    ALA  10           H        ALA  10 -10.355  -5.598   3.578
   97    HA   ALA  10           HA       ALA  10 -12.494  -3.976   4.693
   98    HB1  ALA  10          1HB       ALA  10 -11.639  -5.610   6.464
   99    HB2  ALA  10          2HB       ALA  10 -10.082  -4.754   6.365
  100    HB3  ALA  10          3HB       ALA  10 -11.545  -3.882   6.884
  101    H    TYR  11           H        TYR  11 -12.029  -1.768   4.591
  102    HA   TYR  11           HA       TYR  11  -9.392  -1.134   3.448
  103    HB2  TYR  11          1HB       TYR  11 -10.469   0.511   2.055
  104    HB3  TYR  11          2HB       TYR  11 -11.109  -1.122   1.739
  105    HD1  TYR  11          1HD       TYR  11 -11.884   2.230   3.030
  106    HD2  TYR  11          2HD       TYR  11 -13.403  -1.703   2.382
  107    HE1  TYR  11          1HE       TYR  11 -14.186   3.065   3.408
  108    HE2  TYR  11          2HE       TYR  11 -15.706  -0.885   2.757
  109    HH   TYR  11           HH       TYR  11 -17.023   0.910   3.234
  110    H    LYS  12           H        LYS  12  -8.600   1.053   3.880
  111    HA   LYS  12           HA       LYS  12  -9.941   2.288   6.183
  112    HB2  LYS  12          1HB       LYS  12  -7.075   2.390   5.203
  113    HB3  LYS  12          2HB       LYS  12  -7.723   3.423   6.501
  114    HG2  LYS  12          1HG       LYS  12  -8.247   1.392   7.823
  115    HG3  LYS  12          2HG       LYS  12  -7.528   0.392   6.539
  116    HD2  LYS  12          1HD       LYS  12  -5.359   1.428   6.880
  117    HD3  LYS  12          2HD       LYS  12  -6.051   2.563   8.064
  118    HE2  LYS  12          1HE       LYS  12  -6.653   0.645   9.510
  119    HE3  LYS  12          2HE       LYS  12  -5.884  -0.454   8.342
  120    HZ1  LYS  12          1HZ       LYS  12  -4.413   0.082  10.164
  121    HZ2  LYS  12          2HZ       LYS  12  -3.803   0.676   8.750
  122    H    THR  13           H        THR  13 -10.366   4.546   6.137
  123    HA   THR  13           HA       THR  13 -10.439   5.755   3.523
  124    HB   THR  13           HB       THR  13 -10.969   6.909   6.306
  125    HG1  THR  13          1HG       THR  13 -13.182   6.584   5.666
  126   HG21  THR  13          1HG2      THR  13 -12.178   8.681   5.081
  127   HG22  THR  13          2HG2      THR  13 -10.462   8.634   4.611
  128   HG23  THR  13          3HG2      THR  13 -11.698   7.940   3.536
  129    H    CYS  14           H        CYS  14  -9.007   7.108   2.591
  130    HA   CYS  14           HA       CYS  14  -6.421   7.066   3.719
  131    HB2  CYS  14          1HB       CYS  14  -7.915   8.401   1.353
  132    HB3  CYS  14          2HB       CYS  14  -6.148   8.547   1.518
  133    HA   PRO  15           HA       PRO  15  -6.541  11.009   5.696
  134    HB2  PRO  15          1HB       PRO  15  -3.925  11.674   5.864
  135    HB3  PRO  15          2HB       PRO  15  -4.558  10.353   6.857
  136    HG2  PRO  15          1HG       PRO  15  -3.126  10.212   4.183
  137    HG3  PRO  15          2HG       PRO  15  -2.871   9.231   5.634
  138    HD2  PRO  15          1HD       PRO  15  -4.400   8.349   3.509
  139    HD3  PRO  15          2HD       PRO  15  -4.715   7.832   5.170
  140    H    GLU  16           H        GLU  16  -6.356  13.302   5.384
  141    HA   GLU  16           HA       GLU  16  -6.937  13.935   2.775
  142    HB2  GLU  16          1HB       GLU  16  -7.584  15.268   4.717
  143    HB3  GLU  16          2HB       GLU  16  -5.878  15.670   5.027
  144    HG2  GLU  16          1HG       GLU  16  -5.833  16.952   2.825
  145    HG3  GLU  16          2HG       GLU  16  -7.524  16.430   2.651
  146    HE2  GLU  16           HE       GLU  16  -7.507  19.707   4.225
  147    H    GLY  17           H        GLY  17  -5.737  14.616   0.996
  148    HA2  GLY  17          1HA       GLY  17  -3.914  15.728   0.037
  149    HA3  GLY  17          2HA       GLY  17  -2.929  15.353   1.436
  150    H    LYS  18           H        LYS  18  -4.185  12.474   1.351
  151    HA   LYS  18           HA       LYS  18  -2.213  11.446  -0.515
  152    HB2  LYS  18          1HB       LYS  18  -4.016  10.183   1.567
  153    HB3  LYS  18          2HB       LYS  18  -2.943   9.252   0.495
  154    HG2  LYS  18          1HG       LYS  18  -1.987   9.611   2.766
  155    HG3  LYS  18          2HG       LYS  18  -0.984  10.289   1.462
  156    HD2  LYS  18          1HD       LYS  18  -2.915  12.243   2.373
  157    HD3  LYS  18          2HD       LYS  18  -1.975  11.619   3.749
  158    HE2  LYS  18          1HE       LYS  18   0.093  12.009   2.268
  159    HE3  LYS  18          2HE       LYS  18  -0.984  12.987   1.245
  160    HZ1  LYS  18          1HZ       LYS  18   0.168  14.333   2.867
  161    HZ2  LYS  18          2HZ       LYS  18  -1.454  14.356   3.163
  162    H    ASN  19           H        ASN  19  -2.845   9.645  -2.035
  163    HA   ASN  19           HA       ASN  19  -5.494  10.055  -3.065
  164    HB2  ASN  19          1HB       ASN  19  -4.168  12.112  -4.026
  165    HB3  ASN  19          2HB       ASN  19  -3.100  10.752  -4.451
  166   HD21  ASN  19          1HD2      ASN  19  -4.488  10.535  -7.580
  167   HD22  ASN  19          2HD2      ASN  19  -3.094  10.572  -6.553
  168    H    LEU  20           H        LEU  20  -2.231   8.633  -3.086
  169    HA   LEU  20           HA       LEU  20  -3.062   6.581  -4.983
  170    HB2  LEU  20          1HB       LEU  20  -0.526   7.004  -3.527
  171    HB3  LEU  20          2HB       LEU  20  -0.639   5.951  -4.956
  172    HG   LEU  20           HG       LEU  20  -0.760   8.984  -4.838
  173   HD11  LEU  20          1HD1      LEU  20   1.154   8.799  -6.450
  174   HD12  LEU  20          2HD1      LEU  20   1.511   7.958  -4.924
  175   HD13  LEU  20          3HD1      LEU  20   1.035   7.026  -6.365
  176   HD21  LEU  20          1HD2      LEU  20  -1.199   8.946  -7.269
  177   HD22  LEU  20          2HD2      LEU  20  -1.367   7.176  -7.193
  178   HD23  LEU  20          3HD2      LEU  20  -2.517   8.217  -6.321
  179    H    CYS  21           H        CYS  21  -2.871   4.287  -4.431
  180    HA   CYS  21           HA       CYS  21  -2.806   3.833  -1.542
  181    HB2  CYS  21          1HB       CYS  21  -3.856   2.060  -3.754
  182    HB3  CYS  21          2HB       CYS  21  -3.799   1.627  -2.058
  183    H    TYR  22           H        TYR  22  -1.195   2.439  -0.695
  184    HA   TYR  22           HA       TYR  22   0.786   1.508  -2.664
  185    HB2  TYR  22          1HB       TYR  22   2.528   2.168  -1.279
  186    HB3  TYR  22          2HB       TYR  22   1.400   3.546  -1.307
  187    HD1  TYR  22          1HD       TYR  22   2.683   0.744   0.753
  188    HD2  TYR  22          2HD       TYR  22   0.290   4.274   0.697
  189    HE1  TYR  22          1HE       TYR  22   2.588   0.710   3.228
  190    HE2  TYR  22          2HE       TYR  22   0.187   4.255   3.166
  191    HH   TYR  22           HH       TYR  22   0.819   3.194   5.079
  192    H    LYS  23           H        LYS  23   1.842  -0.494  -2.206
  193    HA   LYS  23           HA       LYS  23   1.062  -1.765   0.312
  194    HB2  LYS  23          1HB       LYS  23   0.987  -3.929  -0.847
  195    HB3  LYS  23          2HB       LYS  23  -0.270  -2.807  -1.421
  196    HG2  LYS  23          1HG       LYS  23   0.983  -2.351  -3.442
  197    HG3  LYS  23          2HG       LYS  23   2.358  -3.314  -2.852
  198    HD2  LYS  23          1HD       LYS  23   0.909  -4.497  -4.531
  199    HD3  LYS  23          2HD       LYS  23   1.086  -5.347  -2.978
  200    HE2  LYS  23          1HE       LYS  23  -1.079  -4.545  -2.241
  201    HE3  LYS  23          2HE       LYS  23  -1.250  -3.558  -3.709
  202    HZ1  LYS  23          1HZ       LYS  23  -2.480  -5.614  -3.873
  203    HZ2  LYS  23          2HZ       LYS  23  -1.269  -5.588  -4.994
  204    H    MET  24           H        MET  24   2.714  -2.973   1.317
  205    HA   MET  24           HA       MET  24   5.312  -2.480   0.086
  206    HB2  MET  24          1HB       MET  24   4.508  -2.745   2.992
  207    HB3  MET  24          2HB       MET  24   6.178  -2.533   2.413
  208    HG2  MET  24          1HG       MET  24   5.407  -0.363   1.356
  209    HG3  MET  24          2HG       MET  24   3.883  -0.564   2.252
  210    HE1  MET  24          1HE       MET  24   4.967  -0.242   5.967
  211    HE2  MET  24          2HE       MET  24   3.608  -0.294   4.816
  212    HE3  MET  24          3HE       MET  24   4.660  -1.716   5.018
  213    H    PHE  25           H        PHE  25   6.782  -4.183  -0.139
  214    HA   PHE  25           HA       PHE  25   5.852  -6.772   0.889
  215    HB2  PHE  25          1HB       PHE  25   7.695  -5.970  -1.443
  216    HB3  PHE  25          2HB       PHE  25   7.336  -7.631  -1.015
  217    HD1  PHE  25          1HD       PHE  25   5.380  -8.679  -1.778
  218    HD2  PHE  25          2HD       PHE  25   5.816  -4.491  -2.257
  219    HE1  PHE  25          1HE       PHE  25   3.357  -8.638  -3.286
  220    HE2  PHE  25          2HE       PHE  25   3.806  -4.447  -3.756
  221    HZ   PHE  25           HZ       PHE  25   2.600  -6.519  -4.254
  222    H    MET  26           H        MET  26   7.669  -8.335   1.474
  223    HA   MET  26           HA       MET  26  10.133  -6.884   2.067
  224    HB2  MET  26          1HB       MET  26   8.927  -9.336   3.366
  225    HB3  MET  26          2HB       MET  26  10.562  -8.723   3.712
  226    HG2  MET  26          1HG       MET  26   9.608  -6.625   4.545
  227    HG3  MET  26          2HG       MET  26   7.969  -7.217   4.179
  228    HE1  MET  26          1HE       MET  26   8.059  -7.262   8.120
  229    HE2  MET  26          2HE       MET  26   8.836  -6.073   7.045
  230    HE3  MET  26          3HE       MET  26   7.201  -6.675   6.675
  231    H    MET  27           H        MET  27  12.145  -7.872   1.461
  232    HA   MET  27           HA       MET  27  12.100  -8.902  -1.026
  233    HB2  MET  27          1HB       MET  27  14.114  -9.064   1.208
  234    HB3  MET  27          2HB       MET  27  14.462  -9.748  -0.399
  235    HG2  MET  27          1HG       MET  27  13.787  -6.852   0.204
  236    HG3  MET  27          2HG       MET  27  15.411  -7.493  -0.141
  237    HE1  MET  27          1HE       MET  27  15.186  -8.509  -3.890
  238    HE2  MET  27          2HE       MET  27  16.249  -8.262  -2.482
  239    HE3  MET  27          3HE       MET  27  15.008  -9.540  -2.450
  240    H    SER  28           H        SER  28  11.841 -10.656   2.066
  241    HA   SER  28           HA       SER  28  12.158 -13.214   1.080
  242    HB2  SER  28          1HB       SER  28  12.026 -12.693   3.450
  243    HB3  SER  28          2HB       SER  28  10.348 -12.135   3.264
  244    HG   SER  28           HG       SER  28  10.491 -14.272   4.076
  245    H    ASP  29           H        ASP  29   8.956 -11.699   1.923
  246    HA   ASP  29           HA       ASP  29   7.761 -13.513   0.042
  247    HB2  ASP  29          1HB       ASP  29   6.833 -13.209   2.420
  248    HB3  ASP  29          2HB       ASP  29   6.549 -11.541   1.866
  249    HD2  ASP  29           HD       ASP  29   3.491 -13.499   1.353
  250    H    LEU  30           H        LEU  30   8.488 -12.408  -1.960
  251    HA   LEU  30           HA       LEU  30   7.630  -9.711  -2.418
  252    HB2  LEU  30          1HB       LEU  30   8.971 -11.895  -3.760
  253    HB3  LEU  30          2HB       LEU  30   8.248 -10.752  -4.916
  254    HG   LEU  30           HG       LEU  30   9.891  -9.245  -4.606
  255   HD11  LEU  30          1HD1      LEU  30  10.701  -8.552  -2.334
  256   HD12  LEU  30          2HD1      LEU  30   8.924  -8.599  -2.400
  257   HD13  LEU  30          3HD1      LEU  30   9.822  -9.924  -1.620
  258   HD21  LEU  30          1HD2      LEU  30  12.039 -10.112  -3.750
  259   HD22  LEU  30          2HD2      LEU  30  11.181 -11.515  -3.067
  260   HD23  LEU  30          3HD2      LEU  30  11.215 -11.263  -4.829
  261    H    THR  31           H        THR  31   6.176 -12.848  -2.454
  262    HA   THR  31           HA       THR  31   4.504 -12.431  -4.733
  263    HB   THR  31           HB       THR  31   4.307 -14.424  -2.423
  264    HG1  THR  31          1HG       THR  31   5.305 -15.830  -3.986
  265   HG21  THR  31          1HG2      THR  31   2.910 -15.737  -3.980
  266   HG22  THR  31          2HG2      THR  31   2.179 -14.148  -3.647
  267   HG23  THR  31          3HG2      THR  31   3.027 -14.434  -5.185
  268    H    ILE  32           H        ILE  32   4.116 -12.106  -1.171
  269    HA   ILE  32           HA       ILE  32   1.529 -10.838  -1.740
  270    HB   ILE  32           HB       ILE  32   2.235 -12.758   0.478
  271   HG12  ILE  32          1HG1      ILE  32   1.716 -13.818  -1.675
  272   HG13  ILE  32          2HG1      ILE  32   0.497 -14.162  -0.465
  273   HG21  ILE  32          1HG2      ILE  32  -0.543 -11.980   0.404
  274   HG22  ILE  32          2HG2      ILE  32   0.619 -11.928   1.753
  275   HG23  ILE  32          3HG2      ILE  32   0.500 -10.554   0.627
  276   HD11  ILE  32          1HD1      ILE  32   0.071 -13.071  -3.033
  277   HD12  ILE  32          2HD1      ILE  32  -1.126 -13.201  -1.723
  278   HD13  ILE  32          3HD1      ILE  32  -0.171 -11.710  -1.911
  279    HA   PRO  33           HA       PRO  33   3.450  -7.538   0.390
  280    HB2  PRO  33          1HB       PRO  33   1.369  -5.774   0.373
  281    HB3  PRO  33          2HB       PRO  33   2.335  -6.041  -1.084
  282    HG2  PRO  33          1HG       PRO  33  -0.304  -7.311  -0.288
  283    HG3  PRO  33          2HG       PRO  33   0.185  -6.654  -1.855
  284    HD2  PRO  33          1HD       PRO  33   0.266  -9.348  -1.353
  285    HD3  PRO  33          2HD       PRO  33   1.447  -8.580  -2.422
  286    H    VAL  34           H        VAL  34   3.234  -6.276   2.428
  287    HA   VAL  34           HA       VAL  34   2.041  -8.237   4.262
  288    HB   VAL  34           HB       VAL  34   3.933  -7.724   5.789
  289   HG11  VAL  34          1HG1      VAL  34   5.738  -8.800   4.486
  290   HG12  VAL  34          2HG1      VAL  34   4.173  -9.595   4.191
  291   HG13  VAL  34          3HG1      VAL  34   4.844  -8.476   2.981
  292   HG21  VAL  34          1HG2      VAL  34   5.834  -6.394   5.020
  293   HG22  VAL  34          2HG2      VAL  34   4.945  -5.982   3.535
  294   HG23  VAL  34          3HG2      VAL  34   4.340  -5.432   5.117
  295    H    LYS  35           H        LYS  35   2.336  -4.901   3.257
  296    HA   LYS  35           HA       LYS  35   0.348  -4.224   5.241
  297    HB2  LYS  35          1HB       LYS  35   3.033  -2.850   4.981
  298    HB3  LYS  35          2HB       LYS  35   1.616  -2.086   5.738
  299    HG2  LYS  35          1HG       LYS  35   1.563  -4.091   7.320
  300    HG3  LYS  35          2HG       LYS  35   3.174  -4.504   6.687
  301    HD2  LYS  35          1HD       LYS  35   3.643  -3.245   8.610
  302    HD3  LYS  35          2HD       LYS  35   3.813  -2.074   7.280
  303    HE2  LYS  35          1HE       LYS  35   1.629  -1.162   7.714
  304    HE3  LYS  35          2HE       LYS  35   1.277  -2.442   8.899
  305    HZ1  LYS  35          1HZ       LYS  35   1.904  -0.386   9.969
  306    HZ2  LYS  35          2HZ       LYS  35   3.028  -1.552  10.282
  307    H    ARG  36           H        ARG  36  -0.978  -2.462   4.583
  308    HA   ARG  36           HA       ARG  36  -0.280  -1.274   2.052
  309    HB2  ARG  36          1HB       ARG  36  -2.804  -2.826   2.458
  310    HB3  ARG  36          2HB       ARG  36  -2.507  -1.696   1.117
  311    HG2  ARG  36          1HG       ARG  36  -1.838  -3.561   0.028
  312    HG3  ARG  36          2HG       ARG  36  -0.317  -3.277   0.910
  313    HD2  ARG  36          1HD       ARG  36  -0.928  -5.572   1.037
  314    HD3  ARG  36          2HD       ARG  36  -1.067  -4.818   2.642
  315    HE   ARG  36           HE       ARG  36  -3.511  -5.254   2.510
  316   HH11  ARG  36          1HH       ARG  36  -3.318  -6.892  -1.068
  317   HH21  ARG  36          1HH2      ARG  36  -5.156  -6.246   1.930
  318   HH22  ARG  36          2HH2      ARG  36  -5.211  -7.030   0.364
  319    H    GLY  37           H        GLY  37  -1.439   0.760   1.660
  320    HA2  GLY  37          1HA       GLY  37  -3.401   1.744   3.467
  321    HA3  GLY  37          2HA       GLY  37  -1.807   2.315   3.918
  322    H    CYS  38           H        CYS  38  -2.773   4.489   3.369
  323    HA   CYS  38           HA       CYS  38  -2.891   4.907   0.482
  324    HB2  CYS  38          1HB       CYS  38  -3.778   6.820   2.640
  325    HB3  CYS  38          2HB       CYS  38  -4.100   6.922   0.921
  326    H    ILE  39           H        ILE  39  -1.645   6.743  -0.414
  327    HA   ILE  39           HA       ILE  39  -0.124   8.359   1.374
  328    HB   ILE  39           HB       ILE  39   1.356   6.292   1.084
  329   HG12  ILE  39          1HG1      ILE  39   2.609   8.692  -0.184
  330   HG13  ILE  39          2HG1      ILE  39   2.067   8.707   1.511
  331   HG21  ILE  39          1HG2      ILE  39   2.490   6.034  -1.097
  332   HG22  ILE  39          2HG2      ILE  39   0.736   5.790  -1.256
  333   HG23  ILE  39          3HG2      ILE  39   1.471   7.323  -1.780
  334   HD11  ILE  39          1HD1      ILE  39   4.466   8.169   1.350
  335   HD12  ILE  39          2HD1      ILE  39   3.541   6.795   2.002
  336   HD13  ILE  39          3HD1      ILE  39   4.085   6.780   0.307
  337    H    ASP  40           H        ASP  40   1.038  10.112   0.136
  338    HA   ASP  40           HA       ASP  40  -0.648  10.805  -2.080
  339    HB2  ASP  40          1HB       ASP  40   0.494  13.091  -1.827
  340    HB3  ASP  40          2HB       ASP  40  -0.411  12.351  -0.485
  341    HD2  ASP  40           HD       ASP  40   2.910  13.583   0.642
  342    H    VAL  41           H        VAL  41   2.881  10.466  -1.254
  343    HA   VAL  41           HA       VAL  41   3.451  10.452  -4.138
  344    HB   VAL  41           HB       VAL  41   5.226  11.297  -1.799
  345   HG11  VAL  41          1HG1      VAL  41   6.835  11.963  -3.553
  346   HG12  VAL  41          2HG1      VAL  41   6.505  10.216  -3.618
  347   HG13  VAL  41          3HG1      VAL  41   5.747  11.309  -4.800
  348   HG21  VAL  41          1HG2      VAL  41   5.100  13.533  -2.774
  349   HG22  VAL  41          2HG2      VAL  41   3.950  12.935  -3.994
  350   HG23  VAL  41          3HG2      VAL  41   3.502  12.933  -2.271
  351    H    CYS  42           H        CYS  42   4.337   8.617  -4.983
  352    HA   CYS  42           HA       CYS  42   4.279   6.354  -3.306
  353    HB2  CYS  42          1HB       CYS  42   3.619   6.370  -5.692
  354    HB3  CYS  42          2HB       CYS  42   5.296   6.606  -6.143
  355    HA   PRO  43           HA       PRO  43   8.474   6.756  -2.046
  356    HB2  PRO  43          1HB       PRO  43   8.623   4.616  -0.358
  357    HB3  PRO  43          2HB       PRO  43   7.794   6.099   0.137
  358    HG2  PRO  43          1HG       PRO  43   6.623   3.559  -1.037
  359    HG3  PRO  43          2HG       PRO  43   6.030   4.539   0.312
  360    HD2  PRO  43          1HD       PRO  43   4.958   4.761  -2.208
  361    HD3  PRO  43          2HD       PRO  43   5.043   6.150  -1.118
  362    H    LYS  44           H        LYS  44  10.477   6.126  -2.730
  363    HA   LYS  44           HA       LYS  44  10.404   4.311  -4.903
  364    HB2  LYS  44          1HB       LYS  44  12.668   5.582  -3.339
  365    HB3  LYS  44          2HB       LYS  44  12.895   4.608  -4.812
  366    HG2  LYS  44          1HG       LYS  44  11.580   6.238  -6.100
  367    HG3  LYS  44          2HG       LYS  44  11.335   7.208  -4.628
  368    HD2  LYS  44          1HD       LYS  44  13.746   7.585  -4.448
  369    HD3  LYS  44          2HD       LYS  44  14.028   6.562  -5.876
  370    HE2  LYS  44          1HE       LYS  44  12.724   8.121  -7.256
  371    HE3  LYS  44          2HE       LYS  44  12.433   9.144  -5.829
  372    HZ1  LYS  44          1HZ       LYS  44  14.245   9.978  -7.167
  373    HZ2  LYS  44          2HZ       LYS  44  14.804   9.507  -5.687
  374    H    ASN  45           H        ASN  45  11.859   2.355  -5.063
  375    HA   ASN  45           HA       ASN  45  11.018   0.657  -2.986
  376    HB2  ASN  45          1HB       ASN  45  12.749  -0.107  -5.450
  377    HB3  ASN  45          2HB       ASN  45  12.109  -0.968  -4.029
  378   HD21  ASN  45          1HD2      ASN  45   9.870  -0.987  -7.143
  379   HD22  ASN  45          2HD2      ASN  45  11.595  -1.063  -7.009
  380    H    SER  46           H        SER  46  12.366  -0.473  -1.430
  381    HA   SER  46           HA       SER  46  15.049   0.646  -1.215
  382    HB2  SER  46          1HB       SER  46  14.898   0.209   1.170
  383    HB3  SER  46          2HB       SER  46  13.490   1.157   0.640
  384    HG   SER  46           HG       SER  46  12.289  -0.774   0.642
  385    H    LEU  47           H        LEU  47  16.445  -1.077   0.282
  386    HA   LEU  47           HA       LEU  47  16.700  -3.300  -1.497
  387    HB2  LEU  47          1HB       LEU  47  17.983  -2.453   1.024
  388    HB3  LEU  47          2HB       LEU  47  18.647  -3.847   0.142
  389    HG   LEU  47           HG       LEU  47  18.527  -0.968  -0.839
  390   HD11  LEU  47          1HD1      LEU  47  21.029  -1.108  -0.728
  391   HD12  LEU  47          2HD1      LEU  47  20.296  -1.378   0.870
  392   HD13  LEU  47          3HD1      LEU  47  20.893  -2.759  -0.081
  393   HD21  LEU  47          1HD2      LEU  47  19.800  -1.785  -2.792
  394   HD22  LEU  47          2HD2      LEU  47  19.633  -3.449  -2.183
  395   HD23  LEU  47          3HD2      LEU  47  18.188  -2.529  -2.663
  396    H    LEU  48           H        LEU  48  15.126  -2.631   1.571
  397    HA   LEU  48           HA       LEU  48  15.177  -5.457   2.282
  398    HB2  LEU  48          1HB       LEU  48  14.283  -2.972   3.605
  399    HB3  LEU  48          2HB       LEU  48  14.165  -4.519   4.475
  400    HG   LEU  48           HG       LEU  48  16.711  -3.118   3.570
  401   HD11  LEU  48          1HD1      LEU  48  17.174  -2.978   6.032
  402   HD12  LEU  48          2HD1      LEU  48  15.664  -2.139   5.610
  403   HD13  LEU  48          3HD1      LEU  48  15.606  -3.753   6.356
  404   HD21  LEU  48          1HD2      LEU  48  17.911  -4.957   4.702
  405   HD22  LEU  48          2HD2      LEU  48  16.353  -5.770   4.994
  406   HD23  LEU  48          3HD2      LEU  48  16.929  -5.521   3.328
  407    H    VAL  49           H        VAL  49  12.905  -2.719   1.649
  408    HA   VAL  49           HA       VAL  49  10.807  -4.744   1.299
  409    HB   VAL  49           HB       VAL  49   9.195  -2.993   2.132
  410   HG11  VAL  49          1HG1      VAL  49   9.749  -3.250   4.527
  411   HG12  VAL  49          2HG1      VAL  49  10.003  -4.774   3.644
  412   HG13  VAL  49          3HG1      VAL  49  11.396  -3.761   4.093
  413   HG21  VAL  49          1HG2      VAL  49  10.053  -1.083   3.390
  414   HG22  VAL  49          2HG2      VAL  49  11.713  -1.516   2.914
  415   HG23  VAL  49          3HG2      VAL  49  10.531  -1.024   1.677
  416    H    LYS  50           H        LYS  50   9.289  -4.334  -0.389
  417    HA   LYS  50           HA       LYS  50  10.263  -2.320  -2.288
  418    HB2  LYS  50          1HB       LYS  50  10.359  -4.625  -3.084
  419    HB3  LYS  50          2HB       LYS  50   8.645  -4.858  -2.664
  420    HG2  LYS  50          1HG       LYS  50   8.018  -3.161  -4.353
  421    HG3  LYS  50          2HG       LYS  50   9.734  -2.987  -4.794
  422    HD2  LYS  50          1HD       LYS  50   9.820  -5.338  -5.473
  423    HD3  LYS  50          2HD       LYS  50   8.124  -5.556  -4.980
  424    HE2  LYS  50          1HE       LYS  50   7.444  -3.861  -6.649
  425    HE3  LYS  50          2HE       LYS  50   9.139  -3.712  -7.166
  426    HZ1  LYS  50          1HZ       LYS  50   7.899  -5.188  -8.598
  427    HZ2  LYS  50          2HZ       LYS  50   9.079  -6.027  -7.806
  428    H    TYR  51           H        TYR  51   8.759  -0.920  -3.327
  429    HA   TYR  51           HA       TYR  51   6.199  -0.757  -1.883
  430    HB2  TYR  51          1HB       TYR  51   7.953   1.424  -3.014
  431    HB3  TYR  51          2HB       TYR  51   6.330   1.662  -2.320
  432    HD1  TYR  51          1HD       TYR  51   9.857   0.911  -1.567
  433    HD2  TYR  51          2HD       TYR  51   5.973   1.513   0.085
  434    HE1  TYR  51          1HE       TYR  51  10.859   1.124   0.689
  435    HE2  TYR  51          2HE       TYR  51   6.954   1.728   2.344
  436    HH   TYR  51           HH       TYR  51   8.863   1.716   3.587
  437    H    VAL  52           H        VAL  52   4.395  -1.001  -3.110
  438    HA   VAL  52           HA       VAL  52   4.614  -0.175  -5.921
  439    HB   VAL  52           HB       VAL  52   2.948  -2.463  -4.766
  440   HG11  VAL  52          1HG1      VAL  52   2.335  -2.896  -7.122
  441   HG12  VAL  52          2HG1      VAL  52   1.807  -1.276  -6.610
  442   HG13  VAL  52          3HG1      VAL  52   3.256  -1.460  -7.626
  443   HG21  VAL  52          1HG2      VAL  52   4.351  -3.920  -6.136
  444   HG22  VAL  52          2HG2      VAL  52   5.345  -2.520  -6.606
  445   HG23  VAL  52          3HG2      VAL  52   5.295  -3.048  -4.905
  446    H    CYS  53           H        CYS  53   3.159   1.359  -6.550
  447    HA   CYS  53           HA       CYS  53   0.983   1.887  -4.658
  448    HB2  CYS  53          1HB       CYS  53   2.346   3.987  -6.340
  449    HB3  CYS  53          2HB       CYS  53   1.194   4.226  -5.040
  450    H    CYS  54           H        CYS  54  -1.025   2.695  -5.689
  451    HA   CYS  54           HA       CYS  54  -1.057   2.730  -8.570
  452    HB2  CYS  54          1HB       CYS  54  -3.128   1.244  -8.564
  453    HB3  CYS  54          2HB       CYS  54  -1.557   0.478  -8.456
  454    H    ASN  55           H        ASN  55  -3.035   3.902  -9.349
  455    HA   ASN  55           HA       ASN  55  -3.389   5.889  -7.272
  456    HB2  ASN  55          1HB       ASN  55  -3.403   7.594  -9.154
  457    HB3  ASN  55          2HB       ASN  55  -2.179   6.304  -9.082
  458   HD21  ASN  55          1HD2      ASN  55  -3.441   6.834 -12.570
  459   HD22  ASN  55          2HD2      ASN  55  -2.847   7.898 -11.339
  460    H    THR  56           H        THR  56  -5.137   3.483  -7.519
  461    HA   THR  56           HA       THR  56  -7.660   4.946  -7.823
  462    HB   THR  56           HB       THR  56  -8.694   2.874  -8.764
  463    HG1  THR  56          1HG       THR  56  -7.228   1.233  -9.522
  464   HG21  THR  56          1HG2      THR  56  -7.729   3.026 -11.033
  465   HG22  THR  56          2HG2      THR  56  -7.922   4.642 -10.310
  466   HG23  THR  56          3HG2      THR  56  -6.315   3.882 -10.374
  467    H    ASP  57           H        ASP  57  -9.511   3.437  -6.850
  468    HA   ASP  57           HA       ASP  57  -8.677   3.414  -4.146
  469    HB2  ASP  57          1HB       ASP  57 -11.417   2.924  -5.437
  470    HB3  ASP  57          2HB       ASP  57 -10.968   2.809  -3.718
  471    HD2  ASP  57           HD       ASP  57 -11.576   6.373  -5.184
  472    H    ARG  58           H        ARG  58  -8.332   1.560  -2.830
  473    HA   ARG  58           HA       ARG  58  -8.147  -0.511  -2.231
  474    HB2  ARG  58          1HB       ARG  58 -10.682  -0.877  -3.776
  475    HB3  ARG  58          2HB       ARG  58 -10.001  -2.031  -2.605
  476    HG2  ARG  58          1HG       ARG  58 -10.158  -0.240  -0.859
  477    HG3  ARG  58          2HG       ARG  58 -11.013   0.773  -2.048
  478    HD2  ARG  58          1HD       ARG  58 -12.581  -0.229  -0.584
  479    HD3  ARG  58          2HD       ARG  58 -12.744  -0.951  -2.202
  480    HE   ARG  58           HE       ARG  58 -11.152  -2.700  -0.459
  481   HH11  ARG  58          1HH       ARG  58 -15.061  -3.197  -0.531
  482   HH21  ARG  58          1HH2      ARG  58 -11.804  -4.472   0.217
  483   HH22  ARG  58          2HH2      ARG  58 -13.520  -4.834   0.238
  484    H    CYS  59           H        CYS  59  -6.706   0.247  -4.665
  485    HA   CYS  59           HA       CYS  59  -7.023  -1.975  -6.475
  486    HB2  CYS  59          1HB       CYS  59  -5.220  -0.526  -7.660
  487    HB3  CYS  59          2HB       CYS  59  -6.587   0.481  -7.119
  488    H    ASN  60           H        ASN  60  -5.061  -0.894  -3.736
  489    HA   ASN  60           HA       ASN  60  -3.011  -2.821  -4.314
  490    HB2  ASN  60          1HB       ASN  60  -1.872  -1.876  -2.351
  491    HB3  ASN  60          2HB       ASN  60  -2.474  -0.554  -3.333
  492   HD21  ASN  60          1HD2      ASN  60  -1.906   0.085  -0.868
  493   HD22  ASN  60          2HD2      ASN  60  -3.305   0.293   0.133
  Start of MODEL   19
    1    H1   MET   0          1H        MET   0 -12.148  12.606  -0.284
    2    H2   MET   0          2H        MET   0 -10.676  12.626  -0.574
    3    H    MET   0           H        MET   0 -11.576  11.581  -1.269
    4    H3   MET   0          3H        MET   0 -11.571  11.666  -1.300
    5    HA   MET   0           HA       MET   0 -10.164  11.153   1.052
    6    HB2  MET   0          1HB       MET   0 -13.173  11.133   1.352
    7    HB3  MET   0          2HB       MET   0 -12.070  10.311   2.482
    8    HG2  MET   0          1HG       MET   0 -11.054  12.426   3.093
    9    HG3  MET   0          2HG       MET   0 -12.031  13.282   1.878
   10    HE1  MET   0          1HE       MET   0 -13.568  11.528   5.873
   11    HE2  MET   0          2HE       MET   0 -12.854  10.501   4.606
   12    HE3  MET   0          3HE       MET   0 -11.857  11.729   5.423
   13    H    LEU   1           H        LEU   1  -9.323   9.638  -0.568
   14    HA   LEU   1           HA       LEU   1 -11.121   7.825  -1.826
   15    HB2  LEU   1          1HB       LEU   1  -8.190   8.037  -1.529
   16    HB3  LEU   1          2HB       LEU   1  -8.853   6.802  -2.624
   17    HG   LEU   1           HG       LEU   1  -9.134   9.820  -2.910
   18   HD11  LEU   1          1HD1      LEU   1  -7.743   9.486  -4.972
   19   HD12  LEU   1          2HD1      LEU   1  -6.874   8.959  -3.512
   20   HD13  LEU   1          3HD1      LEU   1  -7.620   7.753  -4.588
   21   HD21  LEU   1          1HD2      LEU   1 -10.231   9.316  -5.066
   22   HD22  LEU   1          2HD2      LEU   1 -10.157   7.580  -4.678
   23   HD23  LEU   1          3HD2      LEU   1 -11.132   8.676  -3.671
   24    H    LYS   2           H        LYS   2 -10.171   5.341  -1.802
   25    HA   LYS   2           HA       LYS   2  -9.880   4.620   1.023
   26    HB2  LYS   2          1HB       LYS   2 -11.375   2.673   0.532
   27    HB3  LYS   2          2HB       LYS   2 -12.186   4.257   0.547
   28    HG2  LYS   2          1HG       LYS   2 -12.111   4.291  -1.933
   29    HG3  LYS   2          2HG       LYS   2 -11.373   2.672  -1.914
   30    HD2  LYS   2          1HD       LYS   2 -13.356   1.761  -0.799
   31    HD3  LYS   2          2HD       LYS   2 -14.092   3.381  -0.760
   32    HE2  LYS   2          1HE       LYS   2 -14.008   3.438  -3.243
   33    HE3  LYS   2          2HE       LYS   2 -13.376   1.776  -3.232
   34    HZ1  LYS   2          1HZ       LYS   2 -15.750   1.824  -3.594
   35    HZ2  LYS   2          2HZ       LYS   2 -15.411   1.078  -2.162
   36    H    CYS   3           H        CYS   3  -8.243   3.197   1.392
   37    HA   CYS   3           HA       CYS   3  -7.361   1.635  -0.924
   38    HB2  CYS   3          1HB       CYS   3  -5.646   2.697   1.327
   39    HB3  CYS   3          2HB       CYS   3  -5.097   1.650   0.032
   40    H    ASN   4           H        ASN   4  -6.153  -0.459  -0.079
   41    HA   ASN   4           HA       ASN   4  -8.044  -1.587   1.795
   42    HB2  ASN   4          1HB       ASN   4  -6.249  -3.112  -0.229
   43    HB3  ASN   4          2HB       ASN   4  -7.244  -3.582   1.172
   44   HD21  ASN   4          1HD2      ASN   4  -8.991  -3.477  -2.279
   45   HD22  ASN   4          2HD2      ASN   4  -7.339  -3.848  -1.908
   46    H    LYS   5           H        LYS   5  -7.311  -2.716   3.711
   47    HA   LYS   5           HA       LYS   5  -4.583  -2.100   4.488
   48    HB2  LYS   5          1HB       LYS   5  -6.926  -3.340   5.964
   49    HB3  LYS   5          2HB       LYS   5  -5.338  -2.986   6.687
   50    HG2  LYS   5          1HG       LYS   5  -7.394  -1.009   5.655
   51    HG3  LYS   5          2HG       LYS   5  -6.849  -1.231   7.333
   52    HD2  LYS   5          1HD       LYS   5  -5.030  -0.373   5.062
   53    HD3  LYS   5          2HD       LYS   5  -5.862   0.768   6.145
   54    HE2  LYS   5          1HE       LYS   5  -4.729  -0.178   8.075
   55    HE3  LYS   5          2HE       LYS   5  -3.969  -1.421   7.056
   56    HZ1  LYS   5          1HZ       LYS   5  -2.465   0.393   7.517
   57    HZ2  LYS   5          2HZ       LYS   5  -2.800   0.331   5.903
   58    H    LEU   6           H        LEU   6  -3.771  -4.104   6.087
   59    HA   LEU   6           HA       LEU   6  -2.888  -6.061   4.366
   60    HB2  LEU   6          1HB       LEU   6  -1.917  -5.522   6.393
   61    HB3  LEU   6          2HB       LEU   6  -3.249  -6.100   7.421
   62    HG   LEU   6           HG       LEU   6  -2.842  -8.410   6.575
   63   HD11  LEU   6          1HD1      LEU   6  -0.682  -8.865   5.385
   64   HD12  LEU   6          2HD1      LEU   6  -1.729  -7.788   4.433
   65   HD13  LEU   6          3HD1      LEU   6  -0.355  -7.116   5.342
   66   HD21  LEU   6          1HD2      LEU   6  -0.783  -8.814   7.878
   67   HD22  LEU   6          2HD2      LEU   6  -0.464  -7.062   7.885
   68   HD23  LEU   6          3HD2      LEU   6  -1.909  -7.707   8.699
   69    H    VAL   7           H        VAL   7  -5.815  -5.958   6.460
   70    HA   VAL   7           HA       VAL   7  -6.682  -8.543   5.623
   71    HB   VAL   7           HB       VAL   7  -8.181  -6.190   6.867
   72   HG11  VAL   7          1HG1      VAL   7  -9.928  -7.855   7.406
   73   HG12  VAL   7          2HG1      VAL   7  -9.704  -7.708   5.647
   74   HG13  VAL   7          3HG1      VAL   7  -9.016  -9.099   6.519
   75   HG21  VAL   7          1HG2      VAL   7  -8.034  -7.474   8.940
   76   HG22  VAL   7          2HG2      VAL   7  -7.054  -8.704   8.108
   77   HG23  VAL   7          3HG2      VAL   7  -6.429  -7.049   8.302
   78    HA   PRO   8           HA       PRO   8  -7.680  -7.095   1.724
   79    HB2  PRO   8          1HB       PRO   8  -8.330  -9.448   0.497
   80    HB3  PRO   8          2HB       PRO   8  -6.653  -9.084   0.923
   81    HG2  PRO   8          1HG       PRO   8  -8.706 -10.693   2.476
   82    HG3  PRO   8          2HG       PRO   8  -7.011 -11.077   2.150
   83    HD2  PRO   8          1HD       PRO   8  -7.779 -10.008   4.547
   84    HD3  PRO   8          2HD       PRO   8  -6.214  -9.600   3.832
   85    H    ILE   9           H        ILE   9  -9.938  -8.068   3.902
   86    HA   ILE   9           HA       ILE   9 -12.073  -7.394   1.999
   87    HB   ILE   9           HB       ILE   9 -13.596  -8.578   3.609
   88   HG12  ILE   9          1HG1      ILE   9 -11.081  -9.521   4.953
   89   HG13  ILE   9          2HG1      ILE   9 -12.092  -8.186   5.552
   90   HG21  ILE   9          1HG2      ILE   9 -12.865 -10.877   3.065
   91   HG22  ILE   9          2HG2      ILE   9 -12.676  -9.796   1.664
   92   HG23  ILE   9          3HG2      ILE   9 -11.254 -10.261   2.628
   93   HD11  ILE   9          1HD1      ILE   9 -12.615 -10.291   6.721
   94   HD12  ILE   9          2HD1      ILE   9 -14.004  -9.728   5.762
   95   HD13  ILE   9          3HD1      ILE   9 -12.992 -11.063   5.164
   96    H    ALA  10           H        ALA  10 -10.159  -5.668   3.671
   97    HA   ALA  10           HA       ALA  10 -12.293  -4.054   4.830
   98    HB1  ALA  10          1HB       ALA  10 -10.433  -3.632   6.712
   99    HB2  ALA  10          2HB       ALA  10 -11.629  -4.944   6.851
  100    HB3  ALA  10          3HB       ALA  10  -9.981  -5.298   6.279
  101    H    TYR  11           H        TYR  11 -12.114  -1.971   4.129
  102    HA   TYR  11           HA       TYR  11  -9.418  -1.083   3.347
  103    HB2  TYR  11          1HB       TYR  11 -10.507   0.498   1.874
  104    HB3  TYR  11          2HB       TYR  11 -10.933  -1.184   1.474
  105    HD1  TYR  11          1HD       TYR  11 -12.189   2.037   2.716
  106    HD2  TYR  11          2HD       TYR  11 -13.208  -2.015   1.865
  107    HE1  TYR  11          1HE       TYR  11 -14.592   2.620   2.859
  108    HE2  TYR  11          2HE       TYR  11 -15.610  -1.451   2.004
  109    HH   TYR  11           HH       TYR  11 -17.153   0.187   2.363
  110    H    LYS  12           H        LYS  12  -8.799   1.097   3.925
  111    HA   LYS  12           HA       LYS  12 -10.583   2.334   5.906
  112    HB2  LYS  12          1HB       LYS  12  -7.561   2.125   5.824
  113    HB3  LYS  12          2HB       LYS  12  -8.428   3.295   6.847
  114    HG2  LYS  12          1HG       LYS  12  -9.618   1.331   7.908
  115    HG3  LYS  12          2HG       LYS  12  -8.500   0.267   7.022
  116    HD2  LYS  12          1HD       LYS  12  -6.589   1.280   8.135
  117    HD3  LYS  12          2HD       LYS  12  -7.650   2.455   8.949
  118    HE2  LYS  12          1HE       LYS  12  -8.807   0.577  10.082
  119    HE3  LYS  12          2HE       LYS  12  -7.669  -0.557   9.319
  120    HZ1  LYS  12          1HZ       LYS  12  -7.001   0.003  11.557
  121    HZ2  LYS  12          2HZ       LYS  12  -5.884   0.558  10.478
  122    H    THR  13           H        THR  13 -10.601   4.678   5.913
  123    HA   THR  13           HA       THR  13 -10.386   5.710   3.250
  124    HB   THR  13           HB       THR  13 -10.987   7.114   5.900
  125    HG1  THR  13          1HG       THR  13 -13.185   6.843   5.185
  126   HG21  THR  13          1HG2      THR  13 -12.046   8.826   4.470
  127   HG22  THR  13          2HG2      THR  13 -10.316   8.654   4.086
  128   HG23  THR  13          3HG2      THR  13 -11.541   7.928   3.019
  129    H    CYS  14           H        CYS  14  -8.921   7.097   2.357
  130    HA   CYS  14           HA       CYS  14  -6.369   7.103   3.558
  131    HB2  CYS  14          1HB       CYS  14  -7.830   8.477   1.191
  132    HB3  CYS  14          2HB       CYS  14  -6.068   8.629   1.403
  133    HA   PRO  15           HA       PRO  15  -6.664  10.971   5.647
  134    HB2  PRO  15          1HB       PRO  15  -4.087  11.737   5.894
  135    HB3  PRO  15          2HB       PRO  15  -4.674  10.345   6.814
  136    HG2  PRO  15          1HG       PRO  15  -3.208  10.388   4.153
  137    HG3  PRO  15          2HG       PRO  15  -2.905   9.372   5.569
  138    HD2  PRO  15          1HD       PRO  15  -4.364   8.472   3.410
  139    HD3  PRO  15          2HD       PRO  15  -4.678   7.896   5.051
  140    H    GLU  16           H        GLU  16  -6.563  13.281   5.424
  141    HA   GLU  16           HA       GLU  16  -7.110  14.003   2.830
  142    HB2  GLU  16          1HB       GLU  16  -7.829  15.237   4.816
  143    HB3  GLU  16          2HB       GLU  16  -6.141  15.680   5.167
  144    HG2  GLU  16          1HG       GLU  16  -6.101  17.058   3.031
  145    HG3  GLU  16          2HG       GLU  16  -7.763  16.474   2.786
  146    HE2  GLU  16           HE       GLU  16  -7.919  19.683   4.491
  147    H    GLY  17           H        GLY  17  -5.868  14.595   1.078
  148    HA2  GLY  17          1HA       GLY  17  -4.089  15.787   0.131
  149    HA3  GLY  17          2HA       GLY  17  -3.133  15.539   1.578
  150    H    LYS  18           H        LYS  18  -4.270  12.577   1.518
  151    HA   LYS  18           HA       LYS  18  -2.219  11.602  -0.310
  152    HB2  LYS  18          1HB       LYS  18  -3.878  10.352   1.891
  153    HB3  LYS  18          2HB       LYS  18  -2.855   9.394   0.793
  154    HG2  LYS  18          1HG       LYS  18  -1.768   9.862   2.984
  155    HG3  LYS  18          2HG       LYS  18  -0.860  10.504   1.594
  156    HD2  LYS  18          1HD       LYS  18  -1.550  12.728   2.031
  157    HD3  LYS  18          2HD       LYS  18  -2.828  12.194   3.149
  158    HE2  LYS  18          1HE       LYS  18  -0.884  13.152   4.335
  159    HE3  LYS  18          2HE       LYS  18  -1.172  11.448   4.756
  160    HZ1  LYS  18          1HZ       LYS  18   1.158  11.888   4.375
  161    HZ2  LYS  18          2HZ       LYS  18   0.585  10.842   3.234
  162    H    ASN  19           H        ASN  19  -2.717   9.884  -1.863
  163    HA   ASN  19           HA       ASN  19  -5.491  10.044  -2.708
  164    HB2  ASN  19          1HB       ASN  19  -4.114  11.862  -4.048
  165    HB3  ASN  19          2HB       ASN  19  -3.170  10.380  -4.334
  166   HD21  ASN  19          1HD2      ASN  19  -6.421  11.291  -6.563
  167   HD22  ASN  19          2HD2      ASN  19  -5.888  12.273  -5.238
  168    H    LEU  20           H        LEU  20  -2.174   8.616  -3.064
  169    HA   LEU  20           HA       LEU  20  -3.210   6.589  -4.844
  170    HB2  LEU  20          1HB       LEU  20  -0.537   7.039  -3.669
  171    HB3  LEU  20          2HB       LEU  20  -0.772   6.000  -5.094
  172    HG   LEU  20           HG       LEU  20  -1.115   9.021  -4.952
  173   HD11  LEU  20          1HD1      LEU  20   0.785   9.032  -6.590
  174   HD12  LEU  20          2HD1      LEU  20   1.255   8.255  -5.060
  175   HD13  LEU  20          3HD1      LEU  20   0.868   7.258  -6.482
  176   HD21  LEU  20          1HD2      LEU  20  -1.579   8.902  -7.376
  177   HD22  LEU  20          2HD2      LEU  20  -1.547   7.124  -7.276
  178   HD23  LEU  20          3HD2      LEU  20  -2.795   8.041  -6.401
  179    H    CYS  21           H        CYS  21  -2.838   4.272  -4.481
  180    HA   CYS  21           HA       CYS  21  -2.853   3.666  -1.618
  181    HB2  CYS  21          1HB       CYS  21  -3.920   2.066  -3.953
  182    HB3  CYS  21          2HB       CYS  21  -3.911   1.525  -2.287
  183    H    TYR  22           H        TYR  22  -1.180   2.407  -0.790
  184    HA   TYR  22           HA       TYR  22   0.744   1.387  -2.770
  185    HB2  TYR  22          1HB       TYR  22   2.513   2.105  -1.456
  186    HB3  TYR  22          2HB       TYR  22   1.375   3.473  -1.487
  187    HD1  TYR  22          1HD       TYR  22   2.828   0.801   0.605
  188    HD2  TYR  22          2HD       TYR  22   0.226   4.177   0.529
  189    HE1  TYR  22          1HE       TYR  22   2.804   0.828   3.082
  190    HE2  TYR  22          2HE       TYR  22   0.192   4.220   3.000
  191    HH   TYR  22           HH       TYR  22   0.940   3.251   4.919
  192    H    LYS  23           H        LYS  23   1.849  -0.581  -2.243
  193    HA   LYS  23           HA       LYS  23   1.039  -1.811   0.288
  194    HB2  LYS  23          1HB       LYS  23   0.975  -3.991  -0.833
  195    HB3  LYS  23          2HB       LYS  23  -0.260  -2.877  -1.467
  196    HG2  LYS  23          1HG       LYS  23   1.096  -2.449  -3.448
  197    HG3  LYS  23          2HG       LYS  23   2.400  -3.476  -2.805
  198    HD2  LYS  23          1HD       LYS  23   0.875  -4.544  -4.548
  199    HD3  LYS  23          2HD       LYS  23   1.106  -5.447  -3.032
  200    HE2  LYS  23          1HE       LYS  23  -1.018  -4.571  -2.175
  201    HE3  LYS  23          2HE       LYS  23  -1.249  -3.645  -3.676
  202    HZ1  LYS  23          1HZ       LYS  23  -2.484  -5.704  -3.704
  203    HZ2  LYS  23          2HZ       LYS  23  -1.321  -5.727  -4.873
  204    H    MET  24           H        MET  24   2.656  -3.186   1.239
  205    HA   MET  24           HA       MET  24   5.287  -2.537   0.155
  206    HB2  MET  24          1HB       MET  24   4.344  -3.018   2.990
  207    HB3  MET  24          2HB       MET  24   6.051  -2.821   2.526
  208    HG2  MET  24          1HG       MET  24   5.606  -0.555   1.747
  209    HG3  MET  24          2HG       MET  24   3.876  -0.746   2.119
  210    HE1  MET  24          1HE       MET  24   7.178  -0.739   5.376
  211    HE2  MET  24          2HE       MET  24   6.871  -2.111   4.283
  212    HE3  MET  24          3HE       MET  24   7.520  -0.584   3.635
  213    H    PHE  25           H        PHE  25   6.794  -4.189  -0.169
  214    HA   PHE  25           HA       PHE  25   5.918  -6.866   0.664
  215    HB2  PHE  25          1HB       PHE  25   7.620  -5.985  -1.701
  216    HB3  PHE  25          2HB       PHE  25   7.368  -7.677  -1.220
  217    HD1  PHE  25          1HD       PHE  25   5.780  -4.658  -2.589
  218    HD2  PHE  25          2HD       PHE  25   5.343  -8.811  -1.681
  219    HE1  PHE  25          1HE       PHE  25   3.730  -4.744  -3.969
  220    HE2  PHE  25          2HE       PHE  25   3.295  -8.900  -3.062
  221    HZ   PHE  25           HZ       PHE  25   2.487  -6.864  -4.205
  222    H    MET  26           H        MET  26   7.703  -8.394   1.288
  223    HA   MET  26           HA       MET  26  10.183  -6.969   1.878
  224    HB2  MET  26          1HB       MET  26   8.980  -9.444   3.139
  225    HB3  MET  26          2HB       MET  26  10.613  -8.828   3.491
  226    HG2  MET  26          1HG       MET  26   9.643  -6.744   4.354
  227    HG3  MET  26          2HG       MET  26   8.009  -7.352   3.994
  228    HE1  MET  26          1HE       MET  26   8.165  -7.432   7.941
  229    HE2  MET  26          2HE       MET  26   8.929  -6.233   6.868
  230    HE3  MET  26          3HE       MET  26   7.287  -6.822   6.518
  231    H    MET  27           H        MET  27  12.187  -7.974   1.252
  232    HA   MET  27           HA       MET  27  12.116  -8.929  -1.263
  233    HB2  MET  27          1HB       MET  27  14.143  -9.187   0.951
  234    HB3  MET  27          2HB       MET  27  14.474  -9.813  -0.683
  235    HG2  MET  27          1HG       MET  27  13.828  -6.934   0.033
  236    HG3  MET  27          2HG       MET  27  15.445  -7.576  -0.346
  237    HE1  MET  27          1HE       MET  27  15.205  -8.436  -4.129
  238    HE2  MET  27          2HE       MET  27  16.273  -8.242  -2.717
  239    HE3  MET  27          3HE       MET  27  15.035  -9.522  -2.730
  240    H    SER  28           H        SER  28  11.954 -10.787   1.791
  241    HA   SER  28           HA       SER  28  12.175 -13.309   0.672
  242    HB2  SER  28          1HB       SER  28  12.235 -12.895   3.065
  243    HB3  SER  28          2HB       SER  28  10.557 -12.306   3.036
  244    HG   SER  28           HG       SER  28  10.724 -14.479   3.738
  245    H    ASP  29           H        ASP  29   9.066 -11.816   1.840
  246    HA   ASP  29           HA       ASP  29   7.688 -13.598   0.082
  247    HB2  ASP  29          1HB       ASP  29   6.941 -13.176   2.498
  248    HB3  ASP  29          2HB       ASP  29   6.687 -11.514   1.911
  249    HD2  ASP  29           HD       ASP  29   3.511 -13.313   1.686
  250    H    LEU  30           H        LEU  30   8.340 -12.581  -2.004
  251    HA   LEU  30           HA       LEU  30   7.496  -9.890  -2.521
  252    HB2  LEU  30          1HB       LEU  30   8.708 -12.154  -3.862
  253    HB3  LEU  30          2HB       LEU  30   7.956 -11.020  -5.006
  254    HG   LEU  30           HG       LEU  30   9.621  -9.508  -4.787
  255   HD11  LEU  30          1HD1      LEU  30  10.668  -8.910  -2.587
  256   HD12  LEU  30          2HD1      LEU  30   8.893  -8.912  -2.478
  257   HD13  LEU  30          3HD1      LEU  30   9.826 -10.282  -1.831
  258   HD21  LEU  30          1HD2      LEU  30  11.819 -10.454  -4.173
  259   HD22  LEU  30          2HD2      LEU  30  10.994 -11.858  -3.452
  260   HD23  LEU  30          3HD2      LEU  30  10.863 -11.550  -5.200
  261    H    THR  31           H        THR  31   5.979 -12.983  -2.315
  262    HA   THR  31           HA       THR  31   4.214 -12.661  -4.540
  263    HB   THR  31           HB       THR  31   4.091 -14.524  -2.117
  264    HG1  THR  31          1HG       THR  31   5.001 -16.027  -3.641
  265   HG21  THR  31          1HG2      THR  31   2.610 -15.896  -3.540
  266   HG22  THR  31          2HG2      THR  31   1.917 -14.279  -3.266
  267   HG23  THR  31          3HG2      THR  31   2.695 -14.661  -4.820
  268    H    ILE  32           H        ILE  32   3.964 -12.192  -0.975
  269    HA   ILE  32           HA       ILE  32   1.377 -10.905  -1.500
  270    HB   ILE  32           HB       ILE  32   2.175 -12.758   0.791
  271   HG12  ILE  32          1HG1      ILE  32   1.465 -13.867  -1.226
  272   HG13  ILE  32          2HG1      ILE  32   0.313 -14.089   0.112
  273   HG21  ILE  32          1HG2      ILE  32  -0.048 -12.260   1.750
  274   HG22  ILE  32          2HG2      ILE  32   0.956 -10.795   1.668
  275   HG23  ILE  32          3HG2      ILE  32  -0.333 -11.059   0.470
  276   HD11  ILE  32          1HD1      ILE  32  -0.862 -13.717  -2.022
  277   HD12  ILE  32          2HD1      ILE  32  -1.167 -12.386  -0.880
  278   HD13  ILE  32          3HD1      ILE  32  -0.014 -12.166  -2.217
  279    HA   PRO  33           HA       PRO  33   3.440  -7.624   0.492
  280    HB2  PRO  33          1HB       PRO  33   1.489  -5.733   0.364
  281    HB3  PRO  33          2HB       PRO  33   2.410  -6.167  -1.082
  282    HG2  PRO  33          1HG       PRO  33  -0.298  -7.193  -0.167
  283    HG3  PRO  33          2HG       PRO  33   0.206  -6.673  -1.780
  284    HD2  PRO  33          1HD       PRO  33   0.115  -9.329  -1.092
  285    HD3  PRO  33          2HD       PRO  33   1.313  -8.719  -2.239
  286    H    VAL  34           H        VAL  34   3.253  -6.187   2.451
  287    HA   VAL  34           HA       VAL  34   2.095  -8.069   4.389
  288    HB   VAL  34           HB       VAL  34   4.037  -7.534   5.835
  289   HG11  VAL  34          1HG1      VAL  34   5.791  -8.666   4.509
  290   HG12  VAL  34          2HG1      VAL  34   4.210  -9.452   4.284
  291   HG13  VAL  34          3HG1      VAL  34   4.855  -8.374   3.023
  292   HG21  VAL  34          1HG2      VAL  34   5.926  -6.247   4.972
  293   HG22  VAL  34          2HG2      VAL  34   4.996  -5.868   3.503
  294   HG23  VAL  34          3HG2      VAL  34   4.445  -5.267   5.086
  295    H    LYS  35           H        LYS  35   2.422  -4.765   3.272
  296    HA   LYS  35           HA       LYS  35   0.437  -4.038   5.252
  297    HB2  LYS  35          1HB       LYS  35   3.121  -2.696   4.901
  298    HB3  LYS  35          2HB       LYS  35   1.707  -1.822   5.536
  299    HG2  LYS  35          1HG       LYS  35   1.581  -3.758   7.268
  300    HG3  LYS  35          2HG       LYS  35   3.261  -4.088   6.782
  301    HD2  LYS  35          1HD       LYS  35   3.515  -2.654   8.611
  302    HD3  LYS  35          2HD       LYS  35   3.653  -1.563   7.212
  303    HE2  LYS  35          1HE       LYS  35   1.363  -0.850   7.465
  304    HE3  LYS  35          2HE       LYS  35   1.084  -2.058   8.740
  305    HZ1  LYS  35          1HZ       LYS  35   1.456   0.131   9.654
  306    HZ2  LYS  35          2HZ       LYS  35   2.673  -0.886  10.108
  307    H    ARG  36           H        ARG  36  -1.007  -2.457   4.493
  308    HA   ARG  36           HA       ARG  36  -0.335  -1.262   1.956
  309    HB2  ARG  36          1HB       ARG  36  -2.858  -2.916   2.467
  310    HB3  ARG  36          2HB       ARG  36  -2.664  -1.856   1.082
  311    HG2  ARG  36          1HG       ARG  36  -1.805  -3.714   0.055
  312    HG3  ARG  36          2HG       ARG  36  -0.332  -3.305   0.914
  313    HD2  ARG  36          1HD       ARG  36  -0.767  -5.634   1.382
  314    HD3  ARG  36          2HD       ARG  36  -1.149  -4.760   2.851
  315    HE   ARG  36           HE       ARG  36  -3.591  -4.781   1.745
  316   HH11  ARG  36          1HH       ARG  36  -4.727  -8.085   1.713
  317   HH21  ARG  36          1HH2      ARG  36  -2.394  -8.634   1.790
  318   HH22  ARG  36          2HH2      ARG  36  -1.209  -7.371   1.828
  319    H    GLY  37           H        GLY  37  -1.391   0.783   1.627
  320    HA2  GLY  37          1HA       GLY  37  -3.449   1.722   3.371
  321    HA3  GLY  37          2HA       GLY  37  -1.869   2.278   3.882
  322    H    CYS  38           H        CYS  38  -2.786   4.468   3.355
  323    HA   CYS  38           HA       CYS  38  -2.858   4.946   0.473
  324    HB2  CYS  38          1HB       CYS  38  -3.806   6.769   2.688
  325    HB3  CYS  38          2HB       CYS  38  -4.036   6.993   0.964
  326    H    ILE  39           H        ILE  39  -1.579   6.776  -0.372
  327    HA   ILE  39           HA       ILE  39  -0.135   8.386   1.490
  328    HB   ILE  39           HB       ILE  39   1.391   6.361   1.190
  329   HG12  ILE  39          1HG1      ILE  39   2.636   8.787  -0.030
  330   HG13  ILE  39          2HG1      ILE  39   2.042   8.798   1.647
  331   HG21  ILE  39          1HG2      ILE  39   2.565   6.156  -0.975
  332   HG22  ILE  39          2HG2      ILE  39   0.817   5.882  -1.166
  333   HG23  ILE  39          3HG2      ILE  39   1.533   7.435  -1.656
  334   HD11  ILE  39          1HD1      ILE  39   4.451   8.292   1.560
  335   HD12  ILE  39          2HD1      ILE  39   3.526   6.906   2.185
  336   HD13  ILE  39          3HD1      ILE  39   4.121   6.895   0.509
  337    H    ASP  40           H        ASP  40   1.034  10.183   0.309
  338    HA   ASP  40           HA       ASP  40  -0.637  10.917  -1.904
  339    HB2  ASP  40          1HB       ASP  40   0.471  13.202  -1.588
  340    HB3  ASP  40          2HB       ASP  40  -0.401  12.415  -0.250
  341    HD2  ASP  40           HD       ASP  40   2.942  13.662   0.825
  342    H    VAL  41           H        VAL  41   2.880  10.528  -1.063
  343    HA   VAL  41           HA       VAL  41   3.464  10.494  -3.945
  344    HB   VAL  41           HB       VAL  41   5.264  11.267  -1.600
  345   HG11  VAL  41          1HG1      VAL  41   6.901  11.872  -3.351
  346   HG12  VAL  41          2HG1      VAL  41   6.501  10.139  -3.419
  347   HG13  VAL  41          3HG1      VAL  41   5.790  11.263  -4.601
  348   HG21  VAL  41          1HG2      VAL  41   5.228  13.509  -2.572
  349   HG22  VAL  41          2HG2      VAL  41   4.057  12.960  -3.793
  350   HG23  VAL  41          3HG2      VAL  41   3.608  12.972  -2.071
  351    H    CYS  42           H        CYS  42   4.350   8.653  -4.787
  352    HA   CYS  42           HA       CYS  42   4.196   6.368  -3.145
  353    HB2  CYS  42          1HB       CYS  42   3.616   6.412  -5.543
  354    HB3  CYS  42          2HB       CYS  42   5.303   6.655  -5.946
  355    HA   PRO  43           HA       PRO  43   8.316   6.690  -1.685
  356    HB2  PRO  43          1HB       PRO  43   8.410   4.434  -0.142
  357    HB3  PRO  43          2HB       PRO  43   7.559   5.881   0.413
  358    HG2  PRO  43          1HG       PRO  43   6.444   3.428  -0.981
  359    HG3  PRO  43          2HG       PRO  43   5.792   4.313   0.404
  360    HD2  PRO  43          1HD       PRO  43   4.816   4.711  -2.126
  361    HD3  PRO  43          2HD       PRO  43   4.879   6.033  -0.953
  362    H    LYS  44           H        LYS  44  10.359   6.156  -2.319
  363    HA   LYS  44           HA       LYS  44  10.426   4.473  -4.599
  364    HB2  LYS  44          1HB       LYS  44  12.587   5.725  -2.880
  365    HB3  LYS  44          2HB       LYS  44  12.900   4.845  -4.395
  366    HG2  LYS  44          1HG       LYS  44  11.567   6.503  -5.635
  367    HG3  LYS  44          2HG       LYS  44  11.254   7.383  -4.121
  368    HD2  LYS  44          1HD       LYS  44  13.654   7.802  -3.849
  369    HD3  LYS  44          2HD       LYS  44  13.993   6.883  -5.335
  370    HE2  LYS  44          1HE       LYS  44  12.675   8.499  -6.637
  371    HE3  LYS  44          2HE       LYS  44  12.334   9.417  -5.152
  372    HZ1  LYS  44          1HZ       LYS  44  14.149  10.379  -6.395
  373    HZ2  LYS  44          2HZ       LYS  44  14.692   9.826  -4.939
  374    H    ASN  45           H        ASN  45  11.878   2.552  -4.831
  375    HA   ASN  45           HA       ASN  45  11.045   0.742  -2.845
  376    HB2  ASN  45          1HB       ASN  45  12.787   0.119  -5.339
  377    HB3  ASN  45          2HB       ASN  45  12.157  -0.819  -3.964
  378   HD21  ASN  45          1HD2      ASN  45   9.918  -0.708  -7.077
  379   HD22  ASN  45          2HD2      ASN  45  11.644  -0.771  -6.946
  380    H    SER  46           H        SER  46  12.389  -0.429  -1.325
  381    HA   SER  46           HA       SER  46  15.079   0.665  -1.076
  382    HB2  SER  46          1HB       SER  46  14.943   0.039   1.285
  383    HB3  SER  46          2HB       SER  46  13.580   1.084   0.827
  384    HG   SER  46           HG       SER  46  12.297  -0.794   0.687
  385    H    LEU  47           H        LEU  47  16.488  -1.142   0.303
  386    HA   LEU  47           HA       LEU  47  16.703  -3.288  -1.573
  387    HB2  LEU  47          1HB       LEU  47  18.017  -2.564   0.971
  388    HB3  LEU  47          2HB       LEU  47  18.659  -3.926   0.024
  389    HG   LEU  47           HG       LEU  47  18.561  -1.007  -0.833
  390   HD11  LEU  47          1HD1      LEU  47  21.063  -1.174  -0.747
  391   HD12  LEU  47          2HD1      LEU  47  20.338  -1.505   0.844
  392   HD13  LEU  47          3HD1      LEU  47  20.915  -2.850  -0.168
  393   HD21  LEU  47          1HD2      LEU  47  19.812  -1.753  -2.827
  394   HD22  LEU  47          2HD2      LEU  47  19.634  -3.440  -2.287
  395   HD23  LEU  47          3HD2      LEU  47  18.194  -2.486  -2.719
  396    H    LEU  48           H        LEU  48  15.137  -2.729   1.513
  397    HA   LEU  48           HA       LEU  48  15.175  -5.578   2.128
  398    HB2  LEU  48          1HB       LEU  48  14.283  -3.134   3.530
  399    HB3  LEU  48          2HB       LEU  48  14.152  -4.709   4.346
  400    HG   LEU  48           HG       LEU  48  16.710  -3.291   3.503
  401   HD11  LEU  48          1HD1      LEU  48  17.159  -3.235   5.971
  402   HD12  LEU  48          2HD1      LEU  48  15.655  -2.375   5.568
  403   HD13  LEU  48          3HD1      LEU  48  15.585  -4.013   6.260
  404   HD21  LEU  48          1HD2      LEU  48  17.894  -5.173   4.581
  405   HD22  LEU  48          2HD2      LEU  48  16.331  -5.988   4.836
  406   HD23  LEU  48          3HD2      LEU  48  16.918  -5.686   3.184
  407    H    VAL  49           H        VAL  49  12.906  -2.807   1.614
  408    HA   VAL  49           HA       VAL  49  10.803  -4.815   1.185
  409    HB   VAL  49           HB       VAL  49   9.201  -3.085   2.083
  410   HG11  VAL  49          1HG1      VAL  49   9.753  -3.439   4.467
  411   HG12  VAL  49          2HG1      VAL  49   9.997  -4.929   3.525
  412   HG13  VAL  49          3HG1      VAL  49  11.397  -3.944   4.011
  413   HG21  VAL  49          1HG2      VAL  49  10.072  -1.231   3.414
  414   HG22  VAL  49          2HG2      VAL  49  11.728  -1.657   2.920
  415   HG23  VAL  49          3HG2      VAL  49  10.549  -1.109   1.705
  416    H    LYS  50           H        LYS  50   9.345  -4.396  -0.525
  417    HA   LYS  50           HA       LYS  50  10.278  -2.276  -2.323
  418    HB2  LYS  50          1HB       LYS  50  10.423  -4.544  -3.212
  419    HB3  LYS  50          2HB       LYS  50   8.711  -4.825  -2.817
  420    HG2  LYS  50          1HG       LYS  50   8.062  -3.081  -4.442
  421    HG3  LYS  50          2HG       LYS  50   9.777  -2.839  -4.853
  422    HD2  LYS  50          1HD       LYS  50   9.937  -5.163  -5.623
  423    HD3  LYS  50          2HD       LYS  50   8.233  -5.433  -5.184
  424    HE2  LYS  50          1HE       LYS  50   7.576  -3.653  -6.787
  425    HE3  LYS  50          2HE       LYS  50   9.280  -3.499  -7.273
  426    HZ1  LYS  50          1HZ       LYS  50   8.050  -4.914  -8.774
  427    HZ2  LYS  50          2HZ       LYS  50   9.212  -5.790  -7.996
  428    H    TYR  51           H        TYR  51   8.759  -0.858  -3.307
  429    HA   TYR  51           HA       TYR  51   6.185  -0.805  -1.878
  430    HB2  TYR  51          1HB       TYR  51   7.909   1.443  -2.923
  431    HB3  TYR  51          2HB       TYR  51   6.269   1.633  -2.257
  432    HD1  TYR  51          1HD       TYR  51   9.799   1.071  -1.466
  433    HD2  TYR  51          2HD       TYR  51   5.858   1.261   0.150
  434    HE1  TYR  51          1HE       TYR  51  10.752   1.238   0.816
  435    HE2  TYR  51          2HE       TYR  51   6.790   1.429   2.433
  436    HH   TYR  51           HH       TYR  51   8.677   1.503   3.706
  437    H    VAL  52           H        VAL  52   4.386  -1.026  -3.117
  438    HA   VAL  52           HA       VAL  52   4.616  -0.170  -5.919
  439    HB   VAL  52           HB       VAL  52   2.939  -2.460  -4.786
  440   HG11  VAL  52          1HG1      VAL  52   2.352  -2.887  -7.149
  441   HG12  VAL  52          2HG1      VAL  52   1.820  -1.267  -6.640
  442   HG13  VAL  52          3HG1      VAL  52   3.281  -1.451  -7.639
  443   HG21  VAL  52          1HG2      VAL  52   4.354  -3.917  -6.143
  444   HG22  VAL  52          2HG2      VAL  52   5.356  -2.517  -6.598
  445   HG23  VAL  52          3HG2      VAL  52   5.286  -3.049  -4.901
  446    H    CYS  53           H        CYS  53   3.175   1.378  -6.541
  447    HA   CYS  53           HA       CYS  53   0.968   1.874  -4.679
  448    HB2  CYS  53          1HB       CYS  53   2.370   3.996  -6.300
  449    HB3  CYS  53          2HB       CYS  53   1.173   4.221  -5.038
  450    H    CYS  54           H        CYS  54  -0.978   2.869  -5.782
  451    HA   CYS  54           HA       CYS  54  -0.977   2.850  -8.645
  452    HB2  CYS  54          1HB       CYS  54  -3.009   1.326  -8.715
  453    HB3  CYS  54          2HB       CYS  54  -1.431   0.581  -8.550
  454    H    ASN  55           H        ASN  55  -3.110   3.843  -9.442
  455    HA   ASN  55           HA       ASN  55  -3.490   5.905  -7.430
  456    HB2  ASN  55          1HB       ASN  55  -3.520   7.560  -9.361
  457    HB3  ASN  55          2HB       ASN  55  -2.254   6.316  -9.215
  458   HD21  ASN  55          1HD2      ASN  55  -3.419   6.700 -12.754
  459   HD22  ASN  55          2HD2      ASN  55  -2.895   7.816 -11.538
  460    H    THR  56           H        THR  56  -5.175   3.449  -7.651
  461    HA   THR  56           HA       THR  56  -7.720   4.860  -8.003
  462    HB   THR  56           HB       THR  56  -8.705   2.722  -8.882
  463    HG1  THR  56          1HG       THR  56  -7.183   1.136  -9.645
  464   HG21  THR  56          1HG2      THR  56  -7.784   2.886 -11.168
  465   HG22  THR  56          2HG2      THR  56  -8.035   4.501 -10.461
  466   HG23  THR  56          3HG2      THR  56  -6.398   3.809 -10.543
  467    H    ASP  57           H        ASP  57  -9.554   3.402  -6.981
  468    HA   ASP  57           HA       ASP  57  -8.679   3.360  -4.282
  469    HB2  ASP  57          1HB       ASP  57 -11.454   2.989  -5.543
  470    HB3  ASP  57          2HB       ASP  57 -10.990   2.826  -3.831
  471    HD2  ASP  57           HD       ASP  57 -11.487   6.435  -5.221
  472    H    ARG  58           H        ARG  58  -8.488   1.488  -2.937
  473    HA   ARG  58           HA       ARG  58  -8.331  -0.593  -2.370
  474    HB2  ARG  58          1HB       ARG  58 -10.783  -0.939  -4.050
  475    HB3  ARG  58          2HB       ARG  58 -10.153  -2.116  -2.874
  476    HG2  ARG  58          1HG       ARG  58 -10.385  -0.308  -1.115
  477    HG3  ARG  58          2HG       ARG  58 -11.271   0.645  -2.330
  478    HD2  ARG  58          1HD       ARG  58 -12.827  -0.414  -0.915
  479    HD3  ARG  58          2HD       ARG  58 -12.886  -1.203  -2.508
  480    HE   ARG  58           HE       ARG  58 -11.260  -2.753  -0.589
  481   HH11  ARG  58          1HH       ARG  58 -15.071  -3.640  -1.057
  482   HH21  ARG  58          1HH2      ARG  58 -11.808  -4.566   0.075
  483   HH22  ARG  58          2HH2      ARG  58 -13.472  -5.097  -0.074
  484    H    CYS  59           H        CYS  59  -6.700   0.177  -4.622
  485    HA   CYS  59           HA       CYS  59  -6.987  -1.916  -6.588
  486    HB2  CYS  59          1HB       CYS  59  -5.142  -0.773  -7.737
  487    HB3  CYS  59          2HB       CYS  59  -6.521   0.263  -7.436
  488    H    ASN  60           H        ASN  60  -5.065  -0.984  -3.747
  489    HA   ASN  60           HA       ASN  60  -3.105  -3.011  -4.325
  490    HB2  ASN  60          1HB       ASN  60  -1.955  -2.144  -2.310
  491    HB3  ASN  60          2HB       ASN  60  -2.404  -0.809  -3.353
  492   HD21  ASN  60          1HD2      ASN  60  -1.897  -0.057  -0.947
  493   HD22  ASN  60          2HD2      ASN  60  -3.302   0.270   0.013
  Start of MODEL   20
    1    H1   MET   0          1H        MET   0 -11.414  11.566   2.253
    2    H2   MET   0          2H        MET   0 -12.092  12.156   1.051
    3    H    MET   0           H        MET   0 -12.248  10.650   1.352
    4    H3   MET   0          3H        MET   0 -12.299  10.711   1.396
    5    HA   MET   0           HA       MET   0 -10.369  11.734  -0.338
    6    HB2  MET   0          1HB       MET   0  -9.326  10.614   2.249
    7    HB3  MET   0          2HB       MET   0  -8.362  10.490   0.758
    8    HG2  MET   0          1HG       MET   0  -7.619  12.422   1.986
    9    HG3  MET   0          2HG       MET   0  -8.486  12.966   0.529
   10    HE1  MET   0          1HE       MET   0 -10.199  13.119   4.834
   11    HE2  MET   0          2HE       MET   0  -9.906  11.591   3.967
   12    HE3  MET   0          3HE       MET   0  -8.536  12.629   4.433
   13    H    LEU   1           H        LEU   1  -8.621   9.590  -0.799
   14    HA   LEU   1           HA       LEU   1 -10.415   7.878  -2.131
   15    HB2  LEU   1          1HB       LEU   1  -7.442   8.005  -1.771
   16    HB3  LEU   1          2HB       LEU   1  -8.177   6.607  -2.531
   17    HG   LEU   1           HG       LEU   1  -7.345   8.868  -3.825
   18   HD11  LEU   1          1HD1      LEU   1  -9.550   7.027  -4.788
   19   HD12  LEU   1          2HD1      LEU   1  -8.404   7.956  -5.784
   20   HD13  LEU   1          3HD1      LEU   1  -7.818   6.617  -4.766
   21   HD21  LEU   1          1HD2      LEU   1  -9.809   9.613  -4.666
   22   HD22  LEU   1          2HD2      LEU   1 -10.130   9.316  -2.941
   23   HD23  LEU   1          3HD2      LEU   1  -8.869  10.475  -3.425
   24    H    LYS   2           H        LYS   2  -9.925   5.332  -1.963
   25    HA   LYS   2           HA       LYS   2  -9.720   4.633   0.877
   26    HB2  LYS   2          1HB       LYS   2 -11.401   2.849   0.423
   27    HB3  LYS   2          2HB       LYS   2 -12.050   4.504   0.365
   28    HG2  LYS   2          1HG       LYS   2 -12.005   4.452  -2.086
   29    HG3  LYS   2          2HG       LYS   2 -11.315   2.813  -2.049
   30    HD2  LYS   2          1HD       LYS   2 -13.331   1.978  -0.920
   31    HD3  LYS   2          2HD       LYS   2 -14.021   3.619  -0.930
   32    HE2  LYS   2          1HE       LYS   2 -13.907   3.609  -3.412
   33    HE3  LYS   2          2HE       LYS   2 -13.324   1.930  -3.352
   34    HZ1  LYS   2          1HZ       LYS   2 -15.690   2.037  -3.744
   35    HZ2  LYS   2          2HZ       LYS   2 -15.390   1.320  -2.289
   36    H    CYS   3           H        CYS   3  -8.345   2.952   1.311
   37    HA   CYS   3           HA       CYS   3  -7.439   1.424  -1.017
   38    HB2  CYS   3          1HB       CYS   3  -5.675   2.376   1.245
   39    HB3  CYS   3          2HB       CYS   3  -5.177   1.409  -0.129
   40    H    ASN   4           H        ASN   4  -6.314  -0.705  -0.185
   41    HA   ASN   4           HA       ASN   4  -8.143  -1.776   1.770
   42    HB2  ASN   4          1HB       ASN   4  -6.331  -3.386  -0.172
   43    HB3  ASN   4          2HB       ASN   4  -7.383  -3.776   1.211
   44   HD21  ASN   4          1HD2      ASN   4  -8.907  -3.335  -2.441
   45   HD22  ASN   4          2HD2      ASN   4  -7.217  -3.463  -2.082
   46    H    LYS   5           H        LYS   5  -7.399  -2.701   3.763
   47    HA   LYS   5           HA       LYS   5  -4.658  -2.100   4.472
   48    HB2  LYS   5          1HB       LYS   5  -6.950  -3.334   6.025
   49    HB3  LYS   5          2HB       LYS   5  -5.367  -2.885   6.702
   50    HG2  LYS   5          1HG       LYS   5  -7.495  -1.028   5.591
   51    HG3  LYS   5          2HG       LYS   5  -6.967  -1.172   7.284
   52    HD2  LYS   5          1HD       LYS   5  -5.130  -0.350   5.015
   53    HD3  LYS   5          2HD       LYS   5  -6.032   0.813   6.016
   54    HE2  LYS   5          1HE       LYS   5  -4.929  -0.026   8.026
   55    HE3  LYS   5          2HE       LYS   5  -4.066  -1.248   7.063
   56    HZ1  LYS   5          1HZ       LYS   5  -2.686   0.664   7.520
   57    HZ2  LYS   5          2HZ       LYS   5  -2.967   0.543   5.898
   58    H    LEU   6           H        LEU   6  -3.757  -4.025   6.076
   59    HA   LEU   6           HA       LEU   6  -2.894  -6.039   4.445
   60    HB2  LEU   6          1HB       LEU   6  -1.937  -5.460   6.457
   61    HB3  LEU   6          2HB       LEU   6  -3.285  -5.983   7.495
   62    HG   LEU   6           HG       LEU   6  -2.905  -8.326   6.750
   63   HD11  LEU   6          1HD1      LEU   6  -0.759  -8.862   5.566
   64   HD12  LEU   6          2HD1      LEU   6  -1.798  -7.811   4.576
   65   HD13  LEU   6          3HD1      LEU   6  -0.407  -7.122   5.449
   66   HD21  LEU   6          1HD2      LEU   6  -0.842  -8.705   8.056
   67   HD22  LEU   6          2HD2      LEU   6  -0.498  -6.959   7.987
   68   HD23  LEU   6          3HD2      LEU   6  -1.946  -7.549   8.837
   69    H    VAL   7           H        VAL   7  -5.821  -5.929   6.550
   70    HA   VAL   7           HA       VAL   7  -6.707  -8.499   5.692
   71    HB   VAL   7           HB       VAL   7  -8.203  -6.145   6.938
   72   HG11  VAL   7          1HG1      VAL   7  -9.946  -7.813   7.478
   73   HG12  VAL   7          2HG1      VAL   7  -9.721  -7.668   5.718
   74   HG13  VAL   7          3HG1      VAL   7  -9.031  -9.056   6.593
   75   HG21  VAL   7          1HG2      VAL   7  -8.056  -7.426   9.014
   76   HG22  VAL   7          2HG2      VAL   7  -7.072  -8.655   8.184
   77   HG23  VAL   7          3HG2      VAL   7  -6.450  -6.999   8.377
   78    HA   PRO   8           HA       PRO   8  -7.673  -6.995   1.799
   79    HB2  PRO   8          1HB       PRO   8  -8.277  -9.336   0.527
   80    HB3  PRO   8          2HB       PRO   8  -6.609  -8.953   0.974
   81    HG2  PRO   8          1HG       PRO   8  -8.653 -10.620   2.481
   82    HG3  PRO   8          2HG       PRO   8  -6.949 -10.973   2.162
   83    HD2  PRO   8          1HD       PRO   8  -7.752  -9.959   4.572
   84    HD3  PRO   8          2HD       PRO   8  -6.188  -9.513   3.878
   85    H    ILE   9           H        ILE   9  -9.929  -7.989   3.954
   86    HA   ILE   9           HA       ILE   9 -12.066  -7.376   2.033
   87    HB   ILE   9           HB       ILE   9 -13.573  -8.579   3.642
   88   HG12  ILE   9          1HG1      ILE   9 -11.051  -9.447   5.020
   89   HG13  ILE   9          2HG1      ILE   9 -12.098  -8.128   5.592
   90   HG21  ILE   9          1HG2      ILE   9 -12.785 -10.867   3.135
   91   HG22  ILE   9          2HG2      ILE   9 -12.607  -9.802   1.722
   92   HG23  ILE   9          3HG2      ILE   9 -11.184 -10.220   2.704
   93   HD11  ILE   9          1HD1      ILE   9 -12.583 -10.229   6.784
   94   HD12  ILE   9          2HD1      ILE   9 -13.975  -9.711   5.804
   95   HD13  ILE   9          3HD1      ILE   9 -12.927 -11.030   5.233
   96    H    ALA  10           H        ALA  10 -10.198  -5.594   3.696
   97    HA   ALA  10           HA       ALA  10 -12.373  -3.999   4.798
   98    HB1  ALA  10          1HB       ALA  10 -11.554  -3.908   6.937
   99    HB2  ALA  10          2HB       ALA  10 -10.957  -5.529   6.513
  100    HB3  ALA  10          3HB       ALA  10  -9.867  -4.125   6.417
  101    H    TYR  11           H        TYR  11 -12.202  -1.913   4.106
  102    HA   TYR  11           HA       TYR  11  -9.523  -1.034   3.261
  103    HB2  TYR  11          1HB       TYR  11 -10.628   0.469   1.728
  104    HB3  TYR  11          2HB       TYR  11 -11.063  -1.228   1.409
  105    HD1  TYR  11          1HD       TYR  11 -12.299   2.051   2.501
  106    HD2  TYR  11          2HD       TYR  11 -13.333  -2.038   1.879
  107    HE1  TYR  11          1HE       TYR  11 -14.699   2.645   2.645
  108    HE2  TYR  11          2HE       TYR  11 -15.734  -1.463   2.019
  109    HH   TYR  11           HH       TYR  11 -17.269   0.194   2.310
  110    H    LYS  12           H        LYS  12  -8.910   1.160   3.761
  111    HA   LYS  12           HA       LYS  12 -10.709   2.486   5.666
  112    HB2  LYS  12          1HB       LYS  12  -7.688   2.259   5.681
  113    HB3  LYS  12          2HB       LYS  12  -8.595   3.429   6.669
  114    HG2  LYS  12          1HG       LYS  12  -9.789   1.491   7.732
  115    HG3  LYS  12          2HG       LYS  12  -8.691   0.401   6.853
  116    HD2  LYS  12          1HD       LYS  12  -6.762   1.392   7.968
  117    HD3  LYS  12          2HD       LYS  12  -7.813   2.570   8.789
  118    HE2  LYS  12          1HE       LYS  12  -8.992   0.697   9.906
  119    HE3  LYS  12          2HE       LYS  12  -7.864  -0.443   9.137
  120    HZ1  LYS  12          1HZ       LYS  12  -7.195   0.093  11.380
  121    HZ2  LYS  12          2HZ       LYS  12  -6.069   0.644  10.307
  122    H    THR  13           H        THR  13 -10.762   4.804   5.543
  123    HA   THR  13           HA       THR  13 -10.223   5.817   2.917
  124    HB   THR  13           HB       THR  13 -11.057   7.255   5.484
  125    HG1  THR  13          1HG       THR  13 -13.172   7.057   4.536
  126   HG21  THR  13          1HG2      THR  13 -11.892   8.995   3.944
  127   HG22  THR  13          2HG2      THR  13 -10.138   8.758   3.752
  128   HG23  THR  13          3HG2      THR  13 -11.265   8.071   2.559
  129    H    CYS  14           H        CYS  14  -8.665   7.243   2.215
  130    HA   CYS  14           HA       CYS  14  -6.219   7.008   3.599
  131    HB2  CYS  14          1HB       CYS  14  -7.369   8.649   1.224
  132    HB3  CYS  14          2HB       CYS  14  -5.621   8.567   1.554
  133    HA   PRO  15           HA       PRO  15  -6.331  10.822   5.813
  134    HB2  PRO  15          1HB       PRO  15  -3.731  11.540   6.018
  135    HB3  PRO  15          2HB       PRO  15  -4.321  10.129   6.907
  136    HG2  PRO  15          1HG       PRO  15  -2.918  10.237   4.214
  137    HG3  PRO  15          2HG       PRO  15  -2.608   9.164   5.585
  138    HD2  PRO  15          1HD       PRO  15  -4.131   8.370   3.432
  139    HD3  PRO  15          2HD       PRO  15  -4.427   7.747   5.059
  140    H    GLU  16           H        GLU  16  -6.148  13.150   5.696
  141    HA   GLU  16           HA       GLU  16  -6.862  13.965   3.178
  142    HB2  GLU  16          1HB       GLU  16  -7.406  15.142   5.254
  143    HB3  GLU  16          2HB       GLU  16  -5.688  15.555   5.481
  144    HG2  GLU  16          1HG       GLU  16  -5.802  16.994   3.386
  145    HG3  GLU  16          2HG       GLU  16  -7.486  16.438   3.262
  146    HE2  GLU  16           HE       GLU  16  -7.449  19.598   5.066
  147    H    GLY  17           H        GLY  17  -5.747  14.610   1.359
  148    HA2  GLY  17          1HA       GLY  17  -4.032  15.780   0.299
  149    HA3  GLY  17          2HA       GLY  17  -2.981  15.524   1.677
  150    H    LYS  18           H        LYS  18  -4.163  12.556   1.622
  151    HA   LYS  18           HA       LYS  18  -2.170  11.609  -0.283
  152    HB2  LYS  18          1HB       LYS  18  -3.734  10.324   1.968
  153    HB3  LYS  18          2HB       LYS  18  -2.734   9.392   0.829
  154    HG2  LYS  18          1HG       LYS  18  -1.564   9.841   2.968
  155    HG3  LYS  18          2HG       LYS  18  -0.732  10.557   1.568
  156    HD2  LYS  18          1HD       LYS  18  -1.486  12.742   2.100
  157    HD3  LYS  18          2HD       LYS  18  -2.691  12.126   3.257
  158    HE2  LYS  18          1HE       LYS  18  -0.752  13.107   4.407
  159    HE3  LYS  18          2HE       LYS  18  -0.915  11.369   4.747
  160    HZ1  LYS  18          1HZ       LYS  18   1.361  11.974   4.281
  161    HZ2  LYS  18          2HZ       LYS  18   0.797  10.955   3.113
  162    H    ASN  19           H        ASN  19  -2.719   9.890  -1.825
  163    HA   ASN  19           HA       ASN  19  -5.510  10.124  -2.604
  164    HB2  ASN  19          1HB       ASN  19  -4.092  11.913  -3.947
  165    HB3  ASN  19          2HB       ASN  19  -3.218  10.398  -4.281
  166   HD21  ASN  19          1HD2      ASN  19  -6.515  11.461  -6.380
  167   HD22  ASN  19          2HD2      ASN  19  -5.918  12.392  -5.046
  168    H    LEU  20           H        LEU  20  -2.248   8.590  -3.020
  169    HA   LEU  20           HA       LEU  20  -3.389   6.630  -4.821
  170    HB2  LEU  20          1HB       LEU  20  -0.662   7.004  -3.744
  171    HB3  LEU  20          2HB       LEU  20  -0.975   6.008  -5.183
  172    HG   LEU  20           HG       LEU  20  -1.289   9.027  -4.963
  173   HD11  LEU  20          1HD1      LEU  20   0.597   9.076  -6.618
  174   HD12  LEU  20          2HD1      LEU  20   1.082   8.272  -5.108
  175   HD13  LEU  20          3HD1      LEU  20   0.685   7.302  -6.547
  176   HD21  LEU  20          1HD2      LEU  20  -1.775   8.957  -7.385
  177   HD22  LEU  20          2HD2      LEU  20  -1.736   7.177  -7.322
  178   HD23  LEU  20          3HD2      LEU  20  -2.979   8.073  -6.416
  179    H    CYS  21           H        CYS  21  -2.918   4.286  -4.522
  180    HA   CYS  21           HA       CYS  21  -2.944   3.637  -1.670
  181    HB2  CYS  21          1HB       CYS  21  -3.996   2.075  -4.034
  182    HB3  CYS  21          2HB       CYS  21  -3.969   1.488  -2.382
  183    H    TYR  22           H        TYR  22  -1.254   2.394  -0.855
  184    HA   TYR  22           HA       TYR  22   0.635   1.330  -2.845
  185    HB2  TYR  22          1HB       TYR  22   2.439   2.050  -1.577
  186    HB3  TYR  22          2HB       TYR  22   1.322   3.435  -1.634
  187    HD1  TYR  22          1HD       TYR  22   2.747   0.793   0.520
  188    HD2  TYR  22          2HD       TYR  22   0.230   4.231   0.374
  189    HE1  TYR  22          1HE       TYR  22   2.761   0.899   2.995
  190    HE2  TYR  22          2HE       TYR  22   0.231   4.351   2.843
  191    HH   TYR  22           HH       TYR  22   0.984   3.423   4.782
  192    H    LYS  23           H        LYS  23   1.733  -0.636  -2.281
  193    HA   LYS  23           HA       LYS  23   0.941  -1.793   0.290
  194    HB2  LYS  23          1HB       LYS  23   0.875  -4.004  -0.779
  195    HB3  LYS  23          2HB       LYS  23  -0.372  -2.906  -1.417
  196    HG2  LYS  23          1HG       LYS  23   0.935  -2.522  -3.431
  197    HG3  LYS  23          2HG       LYS  23   2.271  -3.505  -2.785
  198    HD2  LYS  23          1HD       LYS  23   0.774  -4.671  -4.464
  199    HD3  LYS  23          2HD       LYS  23   0.984  -5.507  -2.906
  200    HE2  LYS  23          1HE       LYS  23  -1.156  -4.663  -2.122
  201    HE3  LYS  23          2HE       LYS  23  -1.358  -3.714  -3.613
  202    HZ1  LYS  23          1HZ       LYS  23  -2.603  -5.766  -3.690
  203    HZ2  LYS  23          2HZ       LYS  23  -1.421  -5.778  -4.842
  204    H    MET  24           H        MET  24   2.555  -3.188   1.248
  205    HA   MET  24           HA       MET  24   5.184  -2.526   0.165
  206    HB2  MET  24          1HB       MET  24   4.237  -2.993   3.002
  207    HB3  MET  24          2HB       MET  24   5.942  -2.776   2.539
  208    HG2  MET  24          1HG       MET  24   5.462  -0.522   1.738
  209    HG3  MET  24          2HG       MET  24   3.736  -0.736   2.119
  210    HE1  MET  24          1HE       MET  24   7.042  -0.676   5.372
  211    HE2  MET  24          2HE       MET  24   6.737  -2.061   4.293
  212    HE3  MET  24          3HE       MET  24   7.385  -0.540   3.629
  213    H    PHE  25           H        PHE  25   6.692  -4.172  -0.159
  214    HA   PHE  25           HA       PHE  25   5.841  -6.846   0.700
  215    HB2  PHE  25          1HB       PHE  25   7.536  -5.979  -1.679
  216    HB3  PHE  25          2HB       PHE  25   7.268  -7.668  -1.192
  217    HD1  PHE  25          1HD       PHE  25   5.689  -4.632  -2.544
  218    HD2  PHE  25          2HD       PHE  25   5.249  -8.791  -1.672
  219    HE1  PHE  25          1HE       PHE  25   3.637  -4.702  -3.922
  220    HE2  PHE  25          2HE       PHE  25   3.198  -8.866  -3.050
  221    HZ   PHE  25           HZ       PHE  25   2.392  -6.820  -4.174
  222    H    MET  26           H        MET  26   7.671  -8.370   1.266
  223    HA   MET  26           HA       MET  26  10.118  -6.900   1.882
  224    HB2  MET  26          1HB       MET  26   8.959  -9.417   3.099
  225    HB3  MET  26          2HB       MET  26  10.590  -8.795   3.451
  226    HG2  MET  26          1HG       MET  26   9.614  -6.739   4.366
  227    HG3  MET  26          2HG       MET  26   7.981  -7.347   4.002
  228    HE1  MET  26          1HE       MET  26   8.130  -7.525   7.939
  229    HE2  MET  26          2HE       MET  26   8.872  -6.288   6.894
  230    HE3  MET  26          3HE       MET  26   7.242  -6.903   6.527
  231    H    MET  27           H        MET  27  12.136  -7.813   1.200
  232    HA   MET  27           HA       MET  27  12.065  -8.750  -1.320
  233    HB2  MET  27          1HB       MET  27  14.132  -8.950   0.862
  234    HB3  MET  27          2HB       MET  27  14.462  -9.550  -0.781
  235    HG2  MET  27          1HG       MET  27  13.747  -6.705  -0.008
  236    HG3  MET  27          2HG       MET  27  15.361  -7.294  -0.471
  237    HE1  MET  27          1HE       MET  27  14.952  -8.114  -4.255
  238    HE2  MET  27          2HE       MET  27  16.084  -7.927  -2.892
  239    HE3  MET  27          3HE       MET  27  14.864  -9.225  -2.865
  240    H    SER  28           H        SER  28  11.980 -10.628   1.717
  241    HA   SER  28           HA       SER  28  12.349 -13.128   0.557
  242    HB2  SER  28          1HB       SER  28  12.475 -12.730   2.954
  243    HB3  SER  28          2HB       SER  28  10.760 -12.263   2.994
  244    HG   SER  28           HG       SER  28  11.108 -14.427   3.658
  245    H    ASP  29           H        ASP  29   9.248 -11.562   1.674
  246    HA   ASP  29           HA       ASP  29   7.845 -13.465   0.031
  247    HB2  ASP  29          1HB       ASP  29   7.165 -13.034   2.473
  248    HB3  ASP  29          2HB       ASP  29   6.844 -11.390   1.869
  249    HD2  ASP  29           HD       ASP  29   3.723 -13.300   1.759
  250    H    LEU  30           H        LEU  30   8.454 -12.424  -2.067
  251    HA   LEU  30           HA       LEU  30   7.518  -9.758  -2.562
  252    HB2  LEU  30          1HB       LEU  30   8.796 -11.975  -3.924
  253    HB3  LEU  30          2HB       LEU  30   7.997 -10.861  -5.056
  254    HG   LEU  30           HG       LEU  30   9.617  -9.303  -4.850
  255   HD11  LEU  30          1HD1      LEU  30  10.645  -8.657  -2.655
  256   HD12  LEU  30          2HD1      LEU  30   8.871  -8.719  -2.545
  257   HD13  LEU  30          3HD1      LEU  30   9.851 -10.053  -1.891
  258   HD21  LEU  30          1HD2      LEU  30  11.846 -10.171  -4.235
  259   HD22  LEU  30          2HD2      LEU  30  11.069 -11.598  -3.506
  260   HD23  LEU  30          3HD2      LEU  30  10.926 -11.303  -5.256
  261    H    THR  31           H        THR  31   6.106 -12.894  -2.338
  262    HA   THR  31           HA       THR  31   4.300 -12.627  -4.540
  263    HB   THR  31           HB       THR  31   4.289 -14.500  -2.124
  264    HG1  THR  31          1HG       THR  31   5.194 -15.971  -3.683
  265   HG21  THR  31          1HG2      THR  31   2.805 -15.908  -3.508
  266   HG22  THR  31          2HG2      THR  31   2.073 -14.315  -3.204
  267   HG23  THR  31          3HG2      THR  31   2.815 -14.668  -4.782
  268    H    ILE  32           H        ILE  32   4.097 -12.168  -0.971
  269    HA   ILE  32           HA       ILE  32   1.462 -10.961  -1.447
  270    HB   ILE  32           HB       ILE  32   2.345 -12.807   0.820
  271   HG12  ILE  32          1HG1      ILE  32   1.657 -13.931  -1.194
  272   HG13  ILE  32          2HG1      ILE  32   0.522 -14.195   0.150
  273   HG21  ILE  32          1HG2      ILE  32   0.116 -12.392   1.802
  274   HG22  ILE  32          2HG2      ILE  32   1.068 -10.892   1.720
  275   HG23  ILE  32          3HG2      ILE  32  -0.221 -11.193   0.532
  276   HD11  ILE  32          1HD1      ILE  32  -0.679 -13.852  -1.974
  277   HD12  ILE  32          2HD1      ILE  32  -1.020 -12.538  -0.823
  278   HD13  ILE  32          3HD1      ILE  32   0.116 -12.273  -2.168
  279    HA   PRO  33           HA       PRO  33   3.449  -7.640   0.551
  280    HB2  PRO  33          1HB       PRO  33   1.432  -5.815   0.498
  281    HB3  PRO  33          2HB       PRO  33   2.328  -6.200  -0.979
  282    HG2  PRO  33          1HG       PRO  33  -0.317  -7.328  -0.006
  283    HG3  PRO  33          2HG       PRO  33   0.125  -6.773  -1.625
  284    HD2  PRO  33          1HD       PRO  33   0.142  -9.439  -0.965
  285    HD3  PRO  33          2HD       PRO  33   1.285  -8.774  -2.140
  286    H    VAL  34           H        VAL  34   3.252  -6.223   2.521
  287    HA   VAL  34           HA       VAL  34   2.143  -8.108   4.487
  288    HB   VAL  34           HB       VAL  34   4.075  -7.494   5.924
  289   HG11  VAL  34          1HG1      VAL  34   5.849  -8.624   4.624
  290   HG12  VAL  34          2HG1      VAL  34   4.284  -9.446   4.422
  291   HG13  VAL  34          3HG1      VAL  34   4.906  -8.387   3.134
  292   HG21  VAL  34          1HG2      VAL  34   5.937  -6.192   5.027
  293   HG22  VAL  34          2HG2      VAL  34   4.997  -5.868   3.551
  294   HG23  VAL  34          3HG2      VAL  34   4.438  -5.239   5.119
  295    H    LYS  35           H        LYS  35   2.359  -4.824   3.303
  296    HA   LYS  35           HA       LYS  35   0.401  -4.092   5.304
  297    HB2  LYS  35          1HB       LYS  35   3.057  -2.709   4.896
  298    HB3  LYS  35          2HB       LYS  35   1.638  -1.862   5.557
  299    HG2  LYS  35          1HG       LYS  35   1.588  -3.789   7.300
  300    HG3  LYS  35          2HG       LYS  35   3.261  -4.096   6.776
  301    HD2  LYS  35          1HD       LYS  35   3.504  -2.651   8.612
  302    HD3  LYS  35          2HD       LYS  35   3.654  -1.585   7.196
  303    HE2  LYS  35          1HE       LYS  35   1.381  -0.836   7.433
  304    HE3  LYS  35          2HE       LYS  35   1.065  -2.039   8.704
  305    HZ1  LYS  35          1HZ       LYS  35   1.454   0.145   9.624
  306    HZ2  LYS  35          2HZ       LYS  35   2.650  -0.889  10.097
  307    H    ARG  36           H        ARG  36  -1.010  -2.425   4.582
  308    HA   ARG  36           HA       ARG  36  -0.385  -1.308   2.001
  309    HB2  ARG  36          1HB       ARG  36  -2.890  -2.860   2.509
  310    HB3  ARG  36          2HB       ARG  36  -2.609  -1.791   1.114
  311    HG2  ARG  36          1HG       ARG  36  -1.949  -3.701   0.104
  312    HG3  ARG  36          2HG       ARG  36  -0.419  -3.380   0.956
  313    HD2  ARG  36          1HD       ARG  36  -1.023  -5.666   1.194
  314    HD3  ARG  36          2HD       ARG  36  -1.157  -4.840   2.764
  315    HE   ARG  36           HE       ARG  36  -3.596  -5.295   2.669
  316   HH11  ARG  36          1HH       ARG  36  -3.433  -7.055  -0.852
  317   HH21  ARG  36          1HH2      ARG  36  -5.245  -6.308   2.139
  318   HH22  ARG  36          2HH2      ARG  36  -5.312  -7.146   0.600
  319    H    GLY  37           H        GLY  37  -1.494   0.728   1.611
  320    HA2  GLY  37          1HA       GLY  37  -3.469   1.748   3.380
  321    HA3  GLY  37          2HA       GLY  37  -1.875   2.303   3.853
  322    H    CYS  38           H        CYS  38  -2.827   4.482   3.272
  323    HA   CYS  38           HA       CYS  38  -2.817   4.881   0.374
  324    HB2  CYS  38          1HB       CYS  38  -3.891   6.815   2.419
  325    HB3  CYS  38          2HB       CYS  38  -4.165   6.803   0.688
  326    H    ILE  39           H        ILE  39  -1.603   6.782  -0.436
  327    HA   ILE  39           HA       ILE  39  -0.190   8.395   1.447
  328    HB   ILE  39           HB       ILE  39   1.333   6.362   1.183
  329   HG12  ILE  39          1HG1      ILE  39   2.585   8.811   0.009
  330   HG13  ILE  39          2HG1      ILE  39   1.993   8.771   1.685
  331   HG21  ILE  39          1HG2      ILE  39   2.558   6.158  -0.954
  332   HG22  ILE  39          2HG2      ILE  39   0.815   5.888  -1.187
  333   HG23  ILE  39          3HG2      ILE  39   1.546   7.440  -1.658
  334   HD11  ILE  39          1HD1      ILE  39   4.406   8.284   1.583
  335   HD12  ILE  39          2HD1      ILE  39   3.490   6.875   2.170
  336   HD13  ILE  39          3HD1      ILE  39   4.083   6.916   0.493
  337    H    ASP  40           H        ASP  40   1.010  10.184   0.281
  338    HA   ASP  40           HA       ASP  40  -0.663  10.933  -1.923
  339    HB2  ASP  40          1HB       ASP  40   0.441  13.217  -1.586
  340    HB3  ASP  40          2HB       ASP  40  -0.421  12.413  -0.250
  341    HD2  ASP  40           HD       ASP  40   2.924  13.655   0.820
  342    H    VAL  41           H        VAL  41   2.857  10.544  -1.102
  343    HA   VAL  41           HA       VAL  41   3.422  10.500  -3.987
  344    HB   VAL  41           HB       VAL  41   5.243  11.268  -1.658
  345   HG11  VAL  41          1HG1      VAL  41   6.872  11.857  -3.422
  346   HG12  VAL  41          2HG1      VAL  41   6.460  10.126  -3.482
  347   HG13  VAL  41          3HG1      VAL  41   5.747  11.253  -4.662
  348   HG21  VAL  41          1HG2      VAL  41   5.216  13.507  -2.635
  349   HG22  VAL  41          2HG2      VAL  41   4.032  12.961  -3.847
  350   HG23  VAL  41          3HG2      VAL  41   3.595  12.982  -2.121
  351    H    CYS  42           H        CYS  42   4.282   8.647  -4.830
  352    HA   CYS  42           HA       CYS  42   4.116   6.369  -3.181
  353    HB2  CYS  42          1HB       CYS  42   3.523   6.397  -5.569
  354    HB3  CYS  42          2HB       CYS  42   5.204   6.651  -5.991
  355    HA   PRO  43           HA       PRO  43   8.244   6.670  -1.730
  356    HB2  PRO  43          1HB       PRO  43   8.317   4.422  -0.169
  357    HB3  PRO  43          2HB       PRO  43   7.490   5.887   0.379
  358    HG2  PRO  43          1HG       PRO  43   6.332   3.439  -0.986
  359    HG3  PRO  43          2HG       PRO  43   5.700   4.347   0.393
  360    HD2  PRO  43          1HD       PRO  43   4.716   4.733  -2.135
  361    HD3  PRO  43          2HD       PRO  43   4.808   6.068  -0.979
  362    H    LYS  44           H        LYS  44  10.263   6.137  -2.411
  363    HA   LYS  44           HA       LYS  44  10.299   4.407  -4.653
  364    HB2  LYS  44          1HB       LYS  44  12.485   5.689  -2.993
  365    HB3  LYS  44          2HB       LYS  44  12.773   4.779  -4.495
  366    HG2  LYS  44          1HG       LYS  44  11.423   6.414  -5.746
  367    HG3  LYS  44          2HG       LYS  44  11.132   7.323  -4.245
  368    HD2  LYS  44          1HD       LYS  44  13.536   7.748  -4.016
  369    HD3  LYS  44          2HD       LYS  44  13.854   6.800  -5.488
  370    HE2  LYS  44          1HE       LYS  44  12.517   8.389  -6.804
  371    HE3  LYS  44          2HE       LYS  44  12.196   9.337  -5.334
  372    HZ1  LYS  44          1HZ       LYS  44  13.994  10.274  -6.620
  373    HZ2  LYS  44          2HZ       LYS  44  14.556   9.749  -5.161
  374    H    ASN  45           H        ASN  45  11.734   2.475  -4.871
  375    HA   ASN  45           HA       ASN  45  10.936   0.704  -2.842
  376    HB2  ASN  45          1HB       ASN  45  12.676   0.029  -5.326
  377    HB3  ASN  45          2HB       ASN  45  12.024  -0.875  -3.939
  378   HD21  ASN  45          1HD2      ASN  45   9.809  -0.808  -7.065
  379   HD22  ASN  45          2HD2      ASN  45  11.532  -0.897  -6.916
  380    H    SER  46           H        SER  46  12.293  -0.424  -1.306
  381    HA   SER  46           HA       SER  46  14.961   0.724  -1.069
  382    HB2  SER  46          1HB       SER  46  14.810   0.221   1.311
  383    HB3  SER  46          2HB       SER  46  13.409   1.187   0.794
  384    HG   SER  46           HG       SER  46  12.199  -0.735   0.747
  385    H    LEU  47           H        LEU  47  16.380  -1.005   0.397
  386    HA   LEU  47           HA       LEU  47  16.671  -3.189  -1.422
  387    HB2  LEU  47          1HB       LEU  47  17.940  -2.375   1.117
  388    HB3  LEU  47          2HB       LEU  47  18.627  -3.737   0.204
  389    HG   LEU  47           HG       LEU  47  18.460  -0.839  -0.709
  390   HD11  LEU  47          1HD1      LEU  47  20.966  -0.943  -0.606
  391   HD12  LEU  47          2HD1      LEU  47  20.239  -1.264   0.987
  392   HD13  LEU  47          3HD1      LEU  47  20.855  -2.612   0.001
  393   HD21  LEU  47          1HD2      LEU  47  19.742  -1.588  -2.683
  394   HD22  LEU  47          2HD2      LEU  47  19.602  -3.270  -2.114
  395   HD23  LEU  47          3HD2      LEU  47  18.142  -2.359  -2.570
  396    H    LEU  48           H        LEU  48  15.040  -2.597   1.618
  397    HA   LEU  48           HA       LEU  48  15.120  -5.434   2.293
  398    HB2  LEU  48          1HB       LEU  48  14.160  -2.980   3.629
  399    HB3  LEU  48          2HB       LEU  48  14.037  -4.543   4.471
  400    HG   LEU  48           HG       LEU  48  16.589  -3.098   3.657
  401   HD11  LEU  48          1HD1      LEU  48  16.985  -2.991   6.132
  402   HD12  LEU  48          2HD1      LEU  48  15.476  -2.163   5.683
  403   HD13  LEU  48          3HD1      LEU  48  15.418  -3.791   6.402
  404   HD21  LEU  48          1HD2      LEU  48  17.780  -4.941   4.791
  405   HD22  LEU  48          2HD2      LEU  48  16.226  -5.777   5.029
  406   HD23  LEU  48          3HD2      LEU  48  16.843  -5.494   3.384
  407    H    VAL  49           H        VAL  49  12.815  -2.713   1.683
  408    HA   VAL  49           HA       VAL  49  10.754  -4.763   1.253
  409    HB   VAL  49           HB       VAL  49   9.107  -3.052   2.105
  410   HG11  VAL  49          1HG1      VAL  49   9.638  -3.351   4.501
  411   HG12  VAL  49          2HG1      VAL  49   9.924  -4.851   3.590
  412   HG13  VAL  49          3HG1      VAL  49  11.298  -3.828   4.075
  413   HG21  VAL  49          1HG2      VAL  49   9.923  -1.156   3.412
  414   HG22  VAL  49          2HG2      VAL  49  11.593  -1.554   2.945
  415   HG23  VAL  49          3HG2      VAL  49  10.418  -1.054   1.706
  416    H    LYS  50           H        LYS  50   9.280  -4.365  -0.463
  417    HA   LYS  50           HA       LYS  50  10.209  -2.262  -2.284
  418    HB2  LYS  50          1HB       LYS  50  10.361  -4.535  -3.153
  419    HB3  LYS  50          2HB       LYS  50   8.653  -4.824  -2.749
  420    HG2  LYS  50          1HG       LYS  50   7.988  -3.094  -4.387
  421    HG3  LYS  50          2HG       LYS  50   9.699  -2.856  -4.812
  422    HD2  LYS  50          1HD       LYS  50   9.857  -5.180  -5.565
  423    HD3  LYS  50          2HD       LYS  50   8.165  -5.461  -5.093
  424    HE2  LYS  50          1HE       LYS  50   7.454  -3.722  -6.709
  425    HE3  LYS  50          2HE       LYS  50   9.148  -3.526  -7.213
  426    HZ1  LYS  50          1HZ       LYS  50   7.942  -4.981  -8.694
  427    HZ2  LYS  50          2HZ       LYS  50   9.134  -5.822  -7.923
  428    H    TYR  51           H        TYR  51   8.678  -0.866  -3.289
  429    HA   TYR  51           HA       TYR  51   6.098  -0.817  -1.869
  430    HB2  TYR  51          1HB       TYR  51   7.813   1.442  -2.907
  431    HB3  TYR  51          2HB       TYR  51   6.168   1.621  -2.248
  432    HD1  TYR  51          1HD       TYR  51   9.701   1.086  -1.442
  433    HD2  TYR  51          2HD       TYR  51   5.751   1.249   0.159
  434    HE1  TYR  51          1HE       TYR  51  10.642   1.262   0.843
  435    HE2  TYR  51          2HE       TYR  51   6.674   1.426   2.445
  436    HH   TYR  51           HH       TYR  51  10.193   1.447   3.061
  437    H    VAL  52           H        VAL  52   4.304  -1.029  -3.117
  438    HA   VAL  52           HA       VAL  52   4.558  -0.201  -5.924
  439    HB   VAL  52           HB       VAL  52   2.883  -2.495  -4.798
  440   HG11  VAL  52          1HG1      VAL  52   2.340  -2.944  -7.168
  441   HG12  VAL  52          2HG1      VAL  52   1.789  -1.323  -6.681
  442   HG13  VAL  52          3HG1      VAL  52   3.268  -1.505  -7.654
  443   HG21  VAL  52          1HG2      VAL  52   4.333  -3.952  -6.119
  444   HG22  VAL  52          2HG2      VAL  52   5.332  -2.549  -6.567
  445   HG23  VAL  52          3HG2      VAL  52   5.237  -3.068  -4.868
  446    H    CYS  53           H        CYS  53   3.117   1.339  -6.565
  447    HA   CYS  53           HA       CYS  53   0.906   1.850  -4.709
  448    HB2  CYS  53          1HB       CYS  53   2.314   3.942  -6.363
  449    HB3  CYS  53          2HB       CYS  53   1.105   4.195  -5.120
  450    H    CYS  54           H        CYS  54  -1.030   2.872  -5.831
  451    HA   CYS  54           HA       CYS  54  -1.059   2.738  -8.690
  452    HB2  CYS  54          1HB       CYS  54  -3.094   1.222  -8.690
  453    HB3  CYS  54          2HB       CYS  54  -1.522   0.473  -8.489
  454    H    ASN  55           H        ASN  55  -3.166   3.742  -9.508
  455    HA   ASN  55           HA       ASN  55  -3.547   5.854  -7.550
  456    HB2  ASN  55          1HB       ASN  55  -3.568   7.459  -9.520
  457    HB3  ASN  55          2HB       ASN  55  -2.311   6.210  -9.352
  458   HD21  ASN  55          1HD2      ASN  55  -3.499   6.520 -12.892
  459   HD22  ASN  55          2HD2      ASN  55  -2.961   7.662 -11.706
  460    H    THR  56           H        THR  56  -5.236   3.398  -7.699
  461    HA   THR  56           HA       THR  56  -7.781   4.796  -8.107
  462    HB   THR  56           HB       THR  56  -8.762   2.653  -8.952
  463    HG1  THR  56          1HG       THR  56  -7.250   1.020  -9.629
  464   HG21  THR  56          1HG2      THR  56  -7.789   2.728 -11.220
  465   HG22  THR  56          2HG2      THR  56  -8.028   4.369 -10.573
  466   HG23  THR  56          3HG2      THR  56  -6.401   3.649 -10.595
  467    H    ASP  57           H        ASP  57  -9.616   3.322  -7.074
  468    HA   ASP  57           HA       ASP  57  -8.789   3.327  -4.363
  469    HB2  ASP  57          1HB       ASP  57 -11.525   2.870  -5.676
  470    HB3  ASP  57          2HB       ASP  57 -11.096   2.706  -3.955
  471    HD2  ASP  57           HD       ASP  57 -11.643   6.315  -5.341
  472    H    ARG  58           H        ARG  58  -8.545   1.471  -3.002
  473    HA   ARG  58           HA       ARG  58  -8.390  -0.600  -2.396
  474    HB2  ARG  58          1HB       ARG  58 -10.854  -0.945  -4.055
  475    HB3  ARG  58          2HB       ARG  58 -10.228  -2.122  -2.877
  476    HG2  ARG  58          1HG       ARG  58 -10.428  -0.309  -1.125
  477    HG3  ARG  58          2HG       ARG  58 -11.300   0.660  -2.338
  478    HD2  ARG  58          1HD       ARG  58 -12.854  -0.386  -0.887
  479    HD3  ARG  58          2HD       ARG  58 -12.967  -1.123  -2.502
  480    HE   ARG  58           HE       ARG  58 -11.350  -2.775  -0.659
  481   HH11  ARG  58          1HH       ARG  58 -15.187  -3.551  -1.110
  482   HH21  ARG  58          1HH2      ARG  58 -11.937  -4.595  -0.046
  483   HH22  ARG  58          2HH2      ARG  58 -13.615  -5.078  -0.191
  484    H    CYS  59           H        CYS  59  -6.777   0.120  -4.689
  485    HA   CYS  59           HA       CYS  59  -7.050  -2.044  -6.576
  486    HB2  CYS  59          1HB       CYS  59  -5.134  -0.944  -7.708
  487    HB3  CYS  59          2HB       CYS  59  -6.563   0.058  -7.542
  488    H    ASN  60           H        ASN  60  -5.169  -1.039  -3.738
  489    HA   ASN  60           HA       ASN  60  -3.193  -3.070  -4.248
  490    HB2  ASN  60          1HB       ASN  60  -2.030  -2.119  -2.290
  491    HB3  ASN  60          2HB       ASN  60  -2.520  -0.814  -3.352
  492   HD21  ASN  60          1HD2      ASN  60  -1.982  -0.026  -0.953
  493   HD22  ASN  60          2HD2      ASN  60  -3.377   0.306   0.016