*HEADER    ANTIMICROBIAL PROTEIN                   04-DEC-17   6F61              
*TITLE     NMR STRUCTURE OF PUROXOIN-6                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUROTOXIN-6;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: THOMISUS ONUSTUS;                               
*SOURCE   3 ORGANISM_TAXID: 1872008;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 866768;                                     
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET-32B(+)                                
*KEYWDS    PROTEIN, ANTIMICROBIAL PROTEIN                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.D.NADEZHDIN,P.B.OPARIN,A.A.VASSILEVSKI,A.S.ARSENIEV,E.V.GRISHIN     
*REVDAT   1   19-DEC-18 6F61    0                                                
# Restraints file 1: pt6.upl
  8 ILE  H      28 CYSS HB2     3.70            #peak 1
 22 ASP  HB3    25 ARG  HB2     3.22            #peak 4
 21 CYSS H      21 CYSS HB3     3.10            #peak 8
 11 ASN  HA     12 ASP  H       3.88            #peak 11
 11 ASN  H      11 ASN  HA      3.58            #peak 12
 11 ASN  HA     11 ASN  QB      2.85            #peak 13
  2 TYR  HB3     3 CYSS H       4.52            #peak 17
  2 TYR  H       2 TYR  HB3     3.54            #peak 20
 22 ASP  HB2    27 VAL  H       3.92            #peak 27
 22 ASP  H      22 ASP  HB2     2.90            #peak 28
 18 GLY  H      18 GLY  HA3     2.90            #peak 30
 18 GLY  HA3    19 LEU  H       4.45            #peak 32
 10 CYSS H      10 CYSS HB3     4.02            #peak 36
 17 SER  QB     18 GLY  H       3.73            #peak 38
 17 SER  H      17 SER  QB      2.90            #peak 40
 21 CYSS H      21 CYSS HA      4.19            #peak 53
 21 CYSS HA     22 ASP  H       3.32            #peak 54
 13 ILE  H      13 ILE  HG13    5.50            #peak 61
 22 ASP  HB3    26 LYS  H       3.51            #peak 67
 22 ASP  HB3    27 VAL  H       2.99            #peak 68
 22 ASP  H      22 ASP  HB3     3.02            #peak 69
 22 ASP  HB3    25 ARG  H       3.69            #peak 70
  5 THR  H       8 ILE  QG2     3.92            #peak 75
  8 ILE  QG2     9 LYS  H       2.97            #peak 77
  8 ILE  H       8 ILE  QG2     3.92            #peak 79
 23 SER  HA     24 LYS  H       3.98            #peak 83
 23 SER  H      23 SER  HA      3.08            #peak 84
  7 GLY  H      28 CYSS H       4.69            #peak 95
  3 CYSS H       3 CYSS HA      3.95            #peak 98
  3 CYSS HA      4 ALA  H       3.70            #peak 99
 16 CYSS HB2    17 SER  H       3.01            #peak 104
 16 CYSS H      16 CYSS HB2     4.03            #peak 106
 22 ASP  HB2    29 VAL  QG2     3.08            #peak 107
 22 ASP  HB3    29 VAL  QG2     4.19            #peak 108
 20 LYS  H      29 VAL  QG2     3.88            #peak 110
 29 VAL  H      29 VAL  QG2     2.91            #peak 113
 22 ASP  H      29 VAL  QG2     3.94            #peak 114
 29 VAL  QG2    29 VAL  HB      2.77            #peak 115
 29 VAL  QG2    30 LYS  H       4.17            #peak 116
 25 ARG  HA     26 LYS  H       4.38            #peak 118
 25 ARG  HA     25 ARG  HB2     3.52            #peak 120
 25 ARG  HA     25 ARG  HB3     3.22            #peak 123
 25 ARG  H      25 ARG  HA      3.46            #peak 124
  9 LYS  H       9 LYS  HG3     3.78            #peak 133
 24 LYS  H      24 LYS  QB      2.88            #peak 139
 24 LYS  QB     25 ARG  H       3.14            #peak 141
 12 ASP  H      12 ASP  HB3     3.64            #peak 144
 26 LYS  H      26 LYS  HA      2.67            #peak 151
 26 LYS  HA     27 VAL  H       3.08            #peak 153
 26 LYS  H      26 LYS  HG3     3.66            #peak 161
  9 LYS  HB2    11 ASN  H       3.73            #peak 167
  9 LYS  H       9 LYS  HB2     3.70            #peak 173
  9 LYS  HB2    10 CYSS H       3.83            #peak 174
 27 VAL  QG1    28 CYSS H       3.86            #peak 176
  7 GLY  HA3    27 VAL  QG1     3.82            #peak 180
 27 VAL  H      27 VAL  QG1     3.82            #peak 181
 26 LYS  H      26 LYS  HB2     4.39            #peak 189
 26 LYS  HB2    27 VAL  H       4.90            #peak 191
  5 THR  HA     19 LEU  QD1     3.16            #peak 200
  5 THR  H       5 THR  HA      3.52            #peak 201
  5 THR  HA      6 LYS  H       3.12            #peak 205
  8 ILE  H       8 ILE  HG13    2.99            #peak 211
 16 CYSS HB2    19 LEU  QD1     4.35            #peak 213
 19 LEU  QD1    20 LYS  H       5.50            #peak 217
  4 ALA  H      13 ILE  QD1     4.48            #peak 220
 19 LEU  QD1    28 CYSS HB2     3.78            #peak 222
 15 CYSS HB2    19 LEU  QD1     3.67            #peak 223
 19 LEU  QD1    28 CYSS HB3     2.95            #peak 224
 16 CYSS HB3    19 LEU  QD1     3.04            #peak 225
 16 CYSS H      19 LEU  QD1     3.38            #peak 226
  6 LYS  HA     19 LEU  QD1     3.36            #peak 227
  6 LYS  H      19 LEU  QD1     3.36            #peak 228
 19 LEU  H      19 LEU  QD1     4.52            #peak 229
  4 ALA  HA      8 ILE  QG2     3.84            #peak 231
  4 ALA  HA      5 THR  H       2.62            #peak 233
  4 ALA  H       4 ALA  HA      3.83            #peak 234
 19 LEU  HB2    20 LYS  H       4.24            #peak 254
 15 CYSS HB3    19 LEU  HB2     3.43            #peak 255
 15 CYSS HB2    19 LEU  HB2     2.67            #peak 259
 19 LEU  HB2    28 CYSS HB3     3.83            #peak 260
 16 CYSS H      19 LEU  HB2     4.74            #peak 261
 19 LEU  H      19 LEU  HB2     3.13            #peak 262
 15 CYSS HA     15 CYSS HB3     3.42            #peak 265
  4 ALA  H      15 CYSS HA      3.16            #peak 266
 15 CYSS H      15 CYSS HA      3.59            #peak 267
 15 CYSS HA     15 CYSS HB2     3.20            #peak 268
 15 CYSS HA     16 CYSS H       2.64            #peak 269
 20 LYS  H      20 LYS  QB      3.29            #peak 271
 20 LYS  QB     21 CYSS H       3.26            #peak 273
  5 THR  H       8 ILE  HB      3.53            #peak 280
  8 ILE  HB      9 LYS  H       4.46            #peak 282
  8 ILE  H       8 ILE  HB      2.74            #peak 284
  3 CYSS H       3 CYSS HB3     3.96            #peak 288
  3 CYSS HB3     4 ALA  H       3.98            #peak 290
  3 CYSS HB3    16 CYSS H       4.97            #peak 291
 13 ILE  QD1    14 HIS  H       4.31            #peak 298
 30 LYS  H      30 LYS  HB2     3.31            #peak 306
 20 LYS  H      29 VAL  H       3.31            #peak 315
 12 ASP  H      12 ASP  HA      3.61            #peak 323
 12 ASP  HA     13 ILE  H       4.17            #peak 324
 29 VAL  H      29 VAL  HA      3.35            #peak 329
 29 VAL  HA     29 VAL  HB      3.03            #peak 330
 29 VAL  HA     30 LYS  H       3.01            #peak 331
 13 ILE  HG12   14 HIS  H       3.90            #peak 337
 13 ILE  H      13 ILE  HG12    5.50            #peak 339
 27 VAL  HA     28 CYSS H       2.77            #peak 340
 27 VAL  HA     27 VAL  HB      3.06            #peak 343
 27 VAL  H      27 VAL  HA      3.57            #peak 344
  9 LYS  H      27 VAL  HA      5.27            #peak 345
 10 CYSS H      27 VAL  HA      3.32            #peak 346
 21 CYSS H      21 CYSS HB2     3.16            #peak 351
  2 TYR  HB2     3 CYSS H       4.56            #peak 370
  2 TYR  H       2 TYR  HB2     3.58            #peak 373
 22 ASP  HA     22 ASP  HB2     3.04            #peak 375
 22 ASP  HA     22 ASP  HB3     3.53            #peak 376
 22 ASP  H      22 ASP  HA      3.55            #peak 378
 22 ASP  HA     23 SER  H       2.68            #peak 379
  9 LYS  HA     28 CYSS H       4.35            #peak 380
  9 LYS  HA      9 LYS  HB2     3.41            #peak 382
  9 LYS  H       9 LYS  HA      3.54            #peak 388
  9 LYS  HA     10 CYSS H       2.58            #peak 389
  9 LYS  HA      9 LYS  HB3     3.60            #peak 390
 18 GLY  H      18 GLY  HA2     3.44            #peak 398
 18 GLY  HA2    19 LEU  H       4.45            #peak 400
 13 ILE  HA     14 HIS  H       2.77            #peak 406
 13 ILE  HA     13 ILE  QG2     3.97            #peak 407
 13 ILE  H      13 ILE  HA      3.55            #peak 408
  6 LYS  HA      6 LYS  QG      3.14            #peak 413
 10 CYSS HA     10 CYSS HB3     2.96            #peak 416
 10 CYSS HA     12 ASP  H       4.54            #peak 417
 10 CYSS HA     11 ASN  H       3.62            #peak 418
 10 CYSS HA     10 CYSS HB2     3.13            #peak 420
 10 CYSS H      10 CYSS HA      3.43            #peak 422
 10 CYSS HA     13 ILE  H       3.84            #peak 424
 17 SER  HA     18 GLY  H       2.60            #peak 426
 17 SER  H      17 SER  HA      3.48            #peak 428
 17 SER  HA     19 LEU  H       3.94            #peak 429
 24 LYS  H      24 LYS  HA      3.57            #peak 443
 24 LYS  HA     25 ARG  H       4.90            #peak 445
 15 CYSS H      15 CYSS HB3     3.02            #peak 461
 23 SER  QB     24 LYS  H       4.43            #peak 465
 23 SER  H      23 SER  QB      3.52            #peak 466
  2 TYR  H       3 CYSS H       4.11            #peak 473
 16 CYSS HA     16 CYSS HB2     3.12            #peak 475
  3 CYSS HB3    16 CYSS HA      3.49            #peak 476
 16 CYSS HA     17 SER  H       2.85            #peak 478
 16 CYSS HA     16 CYSS HB3     3.69            #peak 479
 16 CYSS H      16 CYSS HA      3.56            #peak 480
  3 CYSS HB2    16 CYSS HA      3.15            #peak 481
 22 ASP  HB2    29 VAL  QG1     3.15            #peak 482
 22 ASP  HB3    29 VAL  QG1     3.94            #peak 483
 29 VAL  H      29 VAL  QG1     3.61            #peak 487
 22 ASP  H      29 VAL  QG1     4.45            #peak 488
 29 VAL  QG1    29 VAL  HB      2.73            #peak 489
 29 VAL  QG1    30 LYS  H       4.41            #peak 490
  9 LYS  H       9 LYS  HG2     3.44            #peak 498
 25 ARG  H      26 LYS  H       3.01            #peak 513
 26 LYS  H      26 LYS  HG2     4.62            #peak 527
 25 ARG  HB2    26 LYS  H       3.96            #peak 532
 25 ARG  H      25 ARG  HB2     3.01            #peak 538
 25 ARG  HB2    25 ARG  HD2     4.23            #peak 539
 27 VAL  HB     28 CYSS H       3.14            #peak 540
  7 GLY  HA3    27 VAL  HB      3.68            #peak 544
 27 VAL  H      27 VAL  HB      4.94            #peak 545
  9 LYS  H       9 LYS  QD      4.06            #peak 573
 19 LEU  HA     19 LEU  HB2     3.43            #peak 576
 19 LEU  HA     20 LYS  H       2.75            #peak 577
 19 LEU  HA     19 LEU  HG      3.72            #peak 579
 19 LEU  HA     19 LEU  QD2     3.20            #peak 580
 19 LEU  H      19 LEU  HA      3.49            #peak 581
 19 LEU  HA     19 LEU  HB3     2.78            #peak 582
 19 LEU  HA     31 GLY  H       3.27            #peak 583
 19 LEU  H      19 LEU  HG      3.97            #peak 598
  6 LYS  QG      7 GLY  H       3.64            #peak 600
  4 ALA  H      16 CYSS H       4.02            #peak 608
  1 GLY  QA      2 TYR  H       3.25            #peak 612
 31 GLY  H      31 GLY  HA2     3.62            #peak 624
  7 GLY  HA3     8 ILE  H       4.31            #peak 636
  7 GLY  H       7 GLY  HA3     2.84            #peak 638
 30 LYS  QG     31 GLY  H       4.14            #peak 643
 30 LYS  H      30 LYS  QG      4.55            #peak 645
 25 ARG  QG     25 ARG  HD3     3.02            #peak 650
 25 ARG  H      25 ARG  QG      3.08            #peak 652
 25 ARG  QG     25 ARG  HD2     3.06            #peak 653
 14 HIS  QB     15 CYSS H       3.21            #peak 655
 14 HIS  H      14 HIS  QB      2.93            #peak 657
 19 LEU  HB2    19 LEU  QD2     4.11            #peak 666
 19 LEU  QD2    20 LYS  H       4.27            #peak 667
 19 LEU  QD2    29 VAL  H       4.83            #peak 672
 19 LEU  QD2    28 CYSS HB3     3.96            #peak 673
  6 LYS  HA     19 LEU  QD2     3.64            #peak 674
  6 LYS  H      19 LEU  QD2     4.53            #peak 675
 19 LEU  H      19 LEU  QD2     4.61            #peak 676
 19 LEU  QD2    31 GLY  H       4.65            #peak 678
 19 LEU  QD2    30 LYS  H       4.13            #peak 679
 28 CYSS H      28 CYSS HB2     2.97            #peak 680
  7 GLY  H      28 CYSS HB2     3.55            #peak 686
  7 GLY  H       7 GLY  HA2     3.29            #peak 689
 13 ILE  HB     14 HIS  H       4.35            #peak 695
 13 ILE  H      13 ILE  HB      3.60            #peak 697
 19 LEU  QD2    30 LYS  HA      3.01            #peak 700
 30 LYS  HA     31 GLY  H       2.83            #peak 703
 30 LYS  H      30 LYS  HA      3.57            #peak 705
 15 CYSS H      15 CYSS HB2     4.13            #peak 718
 15 CYSS HB2    16 CYSS H       3.39            #peak 721
 11 ASN  QB     11 ASN  HD22    4.31            #peak 733
 11 ASN  QB     12 ASP  H       3.46            #peak 734
 11 ASN  H      11 ASN  QB      3.17            #peak 735
 11 ASN  QB     11 ASN  HD21    3.47            #peak 737
 26 LYS  H      27 VAL  H       3.45            #peak 744
 22 ASP  H      27 VAL  H       3.64            #peak 747
 28 CYSS H      28 CYSS HB3     3.88            #peak 750
 28 CYSS HB3    29 VAL  H       3.83            #peak 755
  6 LYS  HA     28 CYSS HB3     3.71            #peak 759
  5 THR  HA      5 THR  QG2     2.95            #peak 760
  4 ALA  QB     10 CYSS HA      4.04            #peak 762
  4 ALA  QB      5 THR  H       3.26            #peak 763
  4 ALA  H       4 ALA  QB      2.84            #peak 764
  4 ALA  QB     15 CYSS H       4.95            #peak 765
 15 CYSS HB2    19 LEU  HB3     3.18            #peak 766
 19 LEU  HB3    28 CYSS HB3     2.89            #peak 767
  5 THR  QG2    16 CYSS H       3.84            #peak 769
  5 THR  QG2     6 LYS  H       3.74            #peak 770
  5 THR  H       8 ILE  HG12    3.55            #peak 774
  8 ILE  H       8 ILE  HG12    3.77            #peak 777
  2 TYR  HA      3 CYSS H       2.82            #peak 781
  2 TYR  H       2 TYR  HA      3.47            #peak 784
 14 HIS  HA     15 CYSS H       3.44            #peak 817
 14 HIS  H      14 HIS  HA      4.10            #peak 819
  6 LYS  H       6 LYS  QB      2.68            #peak 825
 28 CYSS H      28 CYSS HA      3.60            #peak 827
 20 LYS  H      28 CYSS HA      5.00            #peak 828
 28 CYSS HA     29 VAL  H       2.55            #peak 830
 28 CYSS HA     28 CYSS HB3     3.18            #peak 831
 22 ASP  H      28 CYSS HA      4.16            #peak 832
 24 LYS  H      24 LYS  QD      4.62            #peak 851
  5 THR  H       8 ILE  QD1     3.89            #peak 856
  8 ILE  QD1     9 LYS  H       3.89            #peak 858
  8 ILE  H       8 ILE  QD1     3.92            #peak 860
 23 SER  H      24 LYS  H       3.52            #peak 870
 24 LYS  H      25 ARG  H       2.96            #peak 871
 16 CYSS HB3    17 SER  H       4.07            #peak 876
 16 CYSS H      16 CYSS HB3     3.02            #peak 878
  8 ILE  H      28 CYSS H       3.78            #peak 899
  7 GLY  H       8 ILE  H       3.32            #peak 908
 24 LYS  H      24 LYS  HG2     3.99            #peak 913
 13 ILE  HG13   14 HIS  H       3.78            #peak 931
 29 VAL  H      29 VAL  HB      4.54            #peak 950
 29 VAL  HB     30 LYS  H       2.89            #peak 952
  9 LYS  H       9 LYS  HB3     2.97            #peak 960
 27 VAL  QG2    28 CYSS H       4.14            #peak 962
  7 GLY  HA3    27 VAL  QG2     3.90            #peak 966
 27 VAL  H      27 VAL  QG2     3.23            #peak 967
 22 ASP  H      27 VAL  QG2     5.44            #peak 968
 25 ARG  HB3    27 VAL  QG2     3.33            #peak 970
 26 LYS  H      26 LYS  HB3     3.92            #peak 976
 26 LYS  HB3    27 VAL  H       4.68            #peak 978
 25 ARG  H      25 ARG  HB3     4.12            #peak 994
 25 ARG  HB3    25 ARG  HD2     4.32            #peak 995
  6 LYS  HA      8 ILE  H       4.22            #peak 1010
  6 LYS  H       6 LYS  HA      3.32            #peak 1012
  6 LYS  HA      7 GLY  H       2.54            #peak 1014
 18 GLY  H      19 LEU  H       3.21            #peak 1028
 19 LEU  HB3    20 LYS  H       2.92            #peak 1046
 19 LEU  HB3    29 VAL  H       3.88            #peak 1050
 19 LEU  H      19 LEU  HB3     3.81            #peak 1051
 20 LYS  H      20 LYS  QG      3.60            #peak 1067
  3 CYSS H       3 CYSS HB2     4.77            #peak 1074
  3 CYSS HB2     4 ALA  H       3.26            #peak 1076
  3 CYSS HB2    16 CYSS H       3.69            #peak 1077
 10 CYSS HA     13 ILE  QG2     3.53            #peak 1090
  4 ALA  H      13 ILE  QG2     3.84            #peak 1091
 13 ILE  QG2    14 HIS  H       3.97            #peak 1093
 13 ILE  H      13 ILE  QG2     3.73            #peak 1095
 30 LYS  H      30 LYS  HB3     3.02            #peak 1101
 12 ASP  H      13 ILE  H       2.95            #peak 1106
 20 LYS  H      20 LYS  HA      3.61            #peak 1113
 20 LYS  HA     21 CYSS H       2.75            #peak 1115
 12 ASP  H      12 ASP  HB2     3.95            #peak 1121
  8 ILE  HA      8 ILE  HB      3.42            #peak 1125
  8 ILE  HA      9 LYS  H       2.68            #peak 1127
  8 ILE  H       8 ILE  HA      3.64            #peak 1129
  7 GLY  HA2     8 ILE  H       3.90            #peak 1158
  5 THR  H       5 THR  HB      3.50            #peak 1159
  5 THR  HB      6 LYS  H       3.12            #peak 1161
  5 THR  HA     16 CYSS H       4.43            #peak 1162
 28 CYSS HB2    29 VAL  H       5.50            #peak 1163
  5 THR  HA      5 THR  HB      3.16            #peak 1164
  5 THR  H       5 THR  QG2     3.20            #peak 1165
  6 LYS  QB      7 GLY  H       4.01            #peak 1167
 25 ARG  HB2    27 VAL  H       3.77            #peak 1169
  9 LYS  QD     10 CYSS H       4.24            #peak 1170
  9 LYS  HB3    10 CYSS H       4.77            #peak 1171
 15 CYSS HB3    19 LEU  HB3     3.44            #peak 1172
 16 CYSS HB3    19 LEU  HG      4.37            #peak 1173
  4 ALA  H      13 ILE  HG12    4.55            #peak 1174
 23 SER  QB     26 LYS  H       5.15            #peak 1175
  9 LYS  HB3    11 ASN  H       5.02            #peak 1176
 11 ASN  H      12 ASP  H       3.17            #peak 1178
 24 LYS  H      26 LYS  H       4.35            #peak 1179
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.811  -0.001   0.854
    2    HA2  GLY   1           HA2      GLY   1   1.727  -0.819  -1.859
    3    HA3  GLY   1           HA3      GLY   1   1.880   0.929  -1.766
    4    H    TYR   2           H        TYR   2   3.765   1.841  -0.860
    5    HA   TYR   2           HA       TYR   2   5.914   0.222   0.093
    6    HB2  TYR   2           HB2      TYR   2   6.115  -0.334  -2.272
    7    HB3  TYR   2           HB3      TYR   2   6.141   1.374  -2.696
    8    HD1  TYR   2           HD1      TYR   2   7.948  -0.479  -0.008
    9    HD2  TYR   2           HD2      TYR   2   8.240   1.797  -3.591
   10    HE1  TYR   2           HE1      TYR   2  10.398  -0.469   0.205
   11    HE2  TYR   2           HE2      TYR   2  10.691   1.812  -3.389
   12    HH   TYR   2           HH       TYR   2  12.408  -0.190  -1.679
   13    H    CYS   3           H        CYS   3   6.555   1.525   1.676
   14    HA   CYS   3           HA       CYS   3   6.698   4.413   1.197
   15    HB2  CYS   3           HB2      CYS   3   7.228   3.294   3.897
   16    HB3  CYS   3           HB3      CYS   3   6.336   4.739   3.432
   17    H    ALA   4           H        ALA   4   8.549   5.267   2.935
   18    HA   ALA   4           HA       ALA   4  11.018   4.384   1.687
   19    HB1  ALA   4           HB1      ALA   4  10.243   6.720   3.389
   20    HB2  ALA   4           HB2      ALA   4  11.942   6.311   3.151
   21    HB3  ALA   4           HB3      ALA   4  10.925   6.697   1.762
   22    H    THR   5           H        THR   5  11.978   2.652   2.534
   23    HA   THR   5           HA       THR   5  11.724   2.005   5.342
   24    HB   THR   5           HB       THR   5  13.372   0.116   4.617
   25    HG1  THR   5           HG1      THR   5  13.089  -0.287   2.303
   26   HG21  THR   5          HG21      THR   5  11.075  -0.608   3.140
   27   HG22  THR   5          HG22      THR   5  10.534   0.437   4.454
   28   HG23  THR   5          HG23      THR   5  11.465  -1.018   4.810
   29    H    LYS   6           H        LYS   6  13.828   1.211   6.443
   30    HA   LYS   6           HA       LYS   6  15.415   3.342   7.101
   31    HB2  LYS   6           HB2      LYS   6  16.796   1.850   8.262
   32    HB3  LYS   6           HB3      LYS   6  15.245   1.022   8.199
   33    HG2  LYS   6           HG2      LYS   6  16.046  -0.312   6.303
   34    HG3  LYS   6           HG3      LYS   6  17.610   0.501   6.407
   35    HD2  LYS   6           HD2      LYS   6  17.939  -0.377   8.652
   36    HD3  LYS   6           HD3      LYS   6  16.348  -1.140   8.605
   37    HE2  LYS   6           HE2      LYS   6  17.531  -2.099   6.328
   38    HE3  LYS   6           HE3      LYS   6  18.890  -2.008   7.447
   39    HZ1  LYS   6           HZ1      LYS   6  16.818  -3.104   8.888
   40    HZ2  LYS   6           HZ2      LYS   6  18.175  -3.915   8.286
   41    HZ3  LYS   6           HZ3      LYS   6  16.747  -3.869   7.380
   42    H    GLY   7           H        GLY   7  17.251   4.288   6.358
   43    HA2  GLY   7           HA2      GLY   7  19.199   4.513   5.077
   44    HA3  GLY   7           HA3      GLY   7  18.785   3.030   4.229
   45    H    ILE   8           H        ILE   8  15.980   4.449   4.033
   46    HA   ILE   8           HA       ILE   8  16.574   5.642   1.438
   47    HB   ILE   8           HB       ILE   8  13.872   5.088   2.664
   48   HG12  ILE   8          HG12      ILE   8  15.225   3.026   2.404
   49   HG13  ILE   8          HG13      ILE   8  13.827   3.053   1.335
   50   HG21  ILE   8          HG21      ILE   8  14.805   6.199   0.101
   51   HG22  ILE   8          HG22      ILE   8  13.517   4.999  -0.006
   52   HG23  ILE   8          HG23      ILE   8  13.289   6.453   0.966
   53   HD11  ILE   8          HD11      ILE   8  16.044   4.200  -0.030
   54   HD12  ILE   8          HD12      ILE   8  16.529   2.653   0.666
   55   HD13  ILE   8          HD13      ILE   8  15.136   2.737  -0.412
   56    H    LYS   9           H        LYS   9  16.552   7.761   1.066
   57    HA   LYS   9           HA       LYS   9  16.493   9.690   3.035
   58    HB2  LYS   9           HB2      LYS   9  15.737  10.055   0.129
   59    HB3  LYS   9           HB3      LYS   9  16.229  11.333   1.233
   60    HG2  LYS   9           HG2      LYS   9  18.145   9.136   1.044
   61    HG3  LYS   9           HG3      LYS   9  17.879   9.996  -0.474
   62    HD2  LYS   9           HD2      LYS   9  18.456  12.091   0.538
   63    HD3  LYS   9           HD3      LYS   9  18.512  11.356   2.142
   64    HE2  LYS   9           HE2      LYS   9  20.322   9.820   1.073
   65    HE3  LYS   9           HE3      LYS   9  20.435  11.099  -0.135
   66    HZ1  LYS   9           HZ1      LYS   9  22.040  11.472   1.593
   67    HZ2  LYS   9           HZ2      LYS   9  20.848  11.397   2.791
   68    HZ3  LYS   9           HZ3      LYS   9  20.855  12.676   1.684
   69    H    CYS  10           H        CYS  10  14.970  10.997   3.946
   70    HA   CYS  10           HA       CYS  10  12.165  10.483   3.204
   71    HB2  CYS  10           HB2      CYS  10  11.509  10.494   5.468
   72    HB3  CYS  10           HB3      CYS  10  12.970   9.512   5.433
   73    H    ASN  11           H        ASN  11  14.188  12.630   2.495
   74    HA   ASN  11           HA       ASN  11  13.605  15.047   3.733
   75    HB2  ASN  11           HB2      ASN  11  14.621  14.259   1.045
   76    HB3  ASN  11           HB3      ASN  11  14.089  15.923   1.261
   77   HD21  ASN  11          HD21      ASN  11  16.766  14.596   0.883
   78   HD22  ASN  11          HD22      ASN  11  17.745  15.247   2.150
   79    H    ASP  12           H        ASP  12  11.716  13.166   1.532
   80    HA   ASP  12           HA       ASP  12   9.572  15.152   1.718
   81    HB2  ASP  12           HB2      ASP  12  10.839  15.323  -0.501
   82    HB3  ASP  12           HB3      ASP  12  10.155  13.746  -0.884
   83    H    ILE  13           H        ILE  13  10.457  11.876   0.664
   84    HA   ILE  13           HA       ILE  13   7.782  10.881   0.880
   85    HB   ILE  13           HB       ILE  13   9.511   9.899  -0.635
   86   HG12  ILE  13          HG12      ILE  13   8.791   7.597   1.045
   87   HG13  ILE  13          HG13      ILE  13   7.446   8.678   0.694
   88   HG21  ILE  13          HG21      ILE  13  10.619   8.666   1.881
   89   HG22  ILE  13          HG22      ILE  13  11.204   8.439   0.233
   90   HG23  ILE  13          HG23      ILE  13  11.366  10.010   1.017
   91   HD11  ILE  13          HD11      ILE  13   7.219   7.541  -1.196
   92   HD12  ILE  13          HD12      ILE  13   8.676   8.367  -1.750
   93   HD13  ILE  13          HD13      ILE  13   8.794   6.769  -1.014
   94    H    HIS  14           H        HIS  14   6.866   9.634   2.475
   95    HA   HIS  14           HA       HIS  14   8.148   9.818   5.094
   96    HB2  HIS  14           HB2      HIS  14   5.320   9.301   4.200
   97    HB3  HIS  14           HB3      HIS  14   5.828   9.000   5.859
   98    HD1  HIS  14           HD1      HIS  14   6.800  11.958   3.697
   99    HD2  HIS  14           HD2      HIS  14   4.636  11.093   7.136
  100    HE1  HIS  14           HE1      HIS  14   6.159  14.188   4.667
  101    H    CYS  15           H        CYS  15   8.166   7.994   6.541
  102    HA   CYS  15           HA       CYS  15   8.760   5.518   5.129
  103    HB2  CYS  15           HB2      CYS  15   9.024   5.808   8.095
  104    HB3  CYS  15           HB3      CYS  15  10.023   4.895   6.968
  105    H    CYS  16           H        CYS  16   7.907   3.477   5.795
  106    HA   CYS  16           HA       CYS  16   5.118   3.463   6.146
  107    HB2  CYS  16           HB2      CYS  16   7.266   1.426   6.018
  108    HB3  CYS  16           HB3      CYS  16   5.770   0.929   6.803
  109    H    SER  17           H        SER  17   3.863   2.612   7.894
  110    HA   SER  17           HA       SER  17   4.340   3.744  10.359
  111    HB2  SER  17           HB2      SER  17   2.718   1.248   9.802
  112    HB3  SER  17           HB3      SER  17   2.578   2.270  11.232
  113    HG   SER  17           HG       SER  17   2.246   3.976   9.432
  114    H    GLY  18           H        GLY  18   6.074   3.417  11.597
  115    HA2  GLY  18           HA2      GLY  18   6.747   1.654  13.323
  116    HA3  GLY  18           HA3      GLY  18   7.072   0.660  11.910
  117    H    LEU  19           H        LEU  19   7.934   3.364  10.624
  118    HA   LEU  19           HA       LEU  19  10.657   3.316  11.747
  119    HB2  LEU  19           HB2      LEU  19   9.730   3.843   8.930
  120    HB3  LEU  19           HB3      LEU  19  11.386   4.075   9.486
  121    HG   LEU  19           HG       LEU  19   9.952   1.424   9.539
  122   HD11  LEU  19          HD11      LEU  19  11.252   0.851   7.561
  123   HD12  LEU  19          HD12      LEU  19  11.902   2.489   7.501
  124   HD13  LEU  19          HD13      LEU  19  10.180   2.214   7.239
  125   HD21  LEU  19          HD21      LEU  19  12.910   1.873   9.588
  126   HD22  LEU  19          HD22      LEU  19  11.982   0.476  10.134
  127   HD23  LEU  19          HD23      LEU  19  11.963   1.970  11.073
  128    H    LYS  20           H        LYS  20  11.857   5.318  11.687
  129    HA   LYS  20           HA       LYS  20  10.094   7.664  11.933
  130    HB2  LYS  20           HB2      LYS  20  12.712   6.993  13.275
  131    HB3  LYS  20           HB3      LYS  20  11.994   8.597  13.332
  132    HG2  LYS  20           HG2      LYS  20  10.107   7.801  14.534
  133    HG3  LYS  20           HG3      LYS  20  10.574   6.119  14.272
  134    HD2  LYS  20           HD2      LYS  20  11.258   6.524  16.458
  135    HD3  LYS  20           HD3      LYS  20  12.738   6.762  15.526
  136    HE2  LYS  20           HE2      LYS  20  12.613   8.561  17.061
  137    HE3  LYS  20           HE3      LYS  20  12.179   9.218  15.484
  138    HZ1  LYS  20           HZ1      LYS  20  10.742   9.869  17.452
  139    HZ2  LYS  20           HZ2      LYS  20  10.123   8.296  17.398
  140    HZ3  LYS  20           HZ3      LYS  20   9.937   9.324  16.068
  141    H    CYS  21           H        CYS  21  10.707   9.631  11.023
  142    HA   CYS  21           HA       CYS  21  12.564   9.380   8.780
  143    HB2  CYS  21           HB2      CYS  21  10.450  10.243   8.123
  144    HB3  CYS  21           HB3      CYS  21  10.416  11.383   9.464
  145    H    ASP  22           H        ASP  22  14.580   9.610   9.679
  146    HA   ASP  22           HA       ASP  22  15.310  11.468  11.645
  147    HB2  ASP  22           HB2      ASP  22  16.594   9.412  10.627
  148    HB3  ASP  22           HB3      ASP  22  17.263  10.624   9.539
  149    H    SER  23           H        SER  23  14.808  13.568  11.385
  150    HA   SER  23           HA       SER  23  14.970  14.917   8.872
  151    HB2  SER  23           HB2      SER  23  14.691  16.981  10.442
  152    HB3  SER  23           HB3      SER  23  13.359  15.836  10.288
  153    HG   SER  23           HG       SER  23  14.445  16.583  12.497
  154    H    LYS  24           H        LYS  24  17.261  14.067  11.193
  155    HA   LYS  24           HA       LYS  24  19.029  16.315  10.740
  156    HB2  LYS  24           HB2      LYS  24  19.441  13.721  12.238
  157    HB3  LYS  24           HB3      LYS  24  20.601  15.042  12.185
  158    HG2  LYS  24           HG2      LYS  24  18.540  16.430  13.067
  159    HG3  LYS  24           HG3      LYS  24  18.013  14.841  13.627
  160    HD2  LYS  24           HD2      LYS  24  20.823  15.626  14.173
  161    HD3  LYS  24           HD3      LYS  24  19.556  16.432  15.100
  162    HE2  LYS  24           HE2      LYS  24  19.470  14.664  16.441
  163    HE3  LYS  24           HE3      LYS  24  18.907  13.697  15.078
  164    HZ1  LYS  24           HZ1      LYS  24  21.111  13.137  16.416
  165    HZ2  LYS  24           HZ2      LYS  24  21.776  14.169  15.252
  166    HZ3  LYS  24           HZ3      LYS  24  20.934  12.783  14.771
  167    H    ARG  25           H        ARG  25  18.877  12.883   9.876
  168    HA   ARG  25           HA       ARG  25  21.172  13.251   8.086
  169    HB2  ARG  25           HB2      ARG  25  19.790  10.734   9.033
  170    HB3  ARG  25           HB3      ARG  25  21.159  10.771   7.930
  171    HG2  ARG  25           HG2      ARG  25  22.087  12.243  10.032
  172    HG3  ARG  25           HG3      ARG  25  21.077  11.039  10.835
  173    HD2  ARG  25           HD2      ARG  25  22.427   9.315  10.244
  174    HD3  ARG  25           HD3      ARG  25  22.870  10.051   8.704
  175    HE   ARG  25           HE       ARG  25  24.677  11.028   9.725
  176   HH11  ARG  25          HH11      ARG  25  22.493   9.817  12.151
  177   HH12  ARG  25          HH12      ARG  25  23.591  10.091  13.462
  178   HH21  ARG  25          HH21      ARG  25  26.131  11.394  11.443
  179   HH22  ARG  25          HH22      ARG  25  25.660  10.990  13.059
  180    H    LYS  26           H        LYS  26  17.968  13.643   7.916
  181    HA   LYS  26           HA       LYS  26  16.386  13.586   6.277
  182    HB2  LYS  26           HB2      LYS  26  18.827  13.654   4.494
  183    HB3  LYS  26           HB3      LYS  26  17.187  14.056   4.002
  184    HG2  LYS  26           HG2      LYS  26  17.158  15.987   5.391
  185    HG3  LYS  26           HG3      LYS  26  18.674  15.523   6.166
  186    HD2  LYS  26           HD2      LYS  26  19.207  15.591   3.413
  187    HD3  LYS  26           HD3      LYS  26  18.243  17.030   3.754
  188    HE2  LYS  26           HE2      LYS  26  19.810  17.547   5.623
  189    HE3  LYS  26           HE3      LYS  26  20.811  16.194   5.097
  190    HZ1  LYS  26           HZ1      LYS  26  20.084  18.406   3.272
  191    HZ2  LYS  26           HZ2      LYS  26  21.322  17.267   3.098
  192    HZ3  LYS  26           HZ3      LYS  26  21.449  18.482   4.269
  193    H    VAL  27           H        VAL  27  16.958  11.079   7.307
  194    HA   VAL  27           HA       VAL  27  16.195   9.409   5.055
  195    HB   VAL  27           HB       VAL  27  17.833   7.621   5.745
  196   HG11  VAL  27          HG11      VAL  27  18.165   8.871   3.709
  197   HG12  VAL  27          HG12      VAL  27  18.917  10.194   4.604
  198   HG13  VAL  27          HG13      VAL  27  19.721   8.626   4.502
  199   HG21  VAL  27          HG21      VAL  27  19.624   9.686   6.871
  200   HG22  VAL  27          HG22      VAL  27  18.315   9.125   7.911
  201   HG23  VAL  27          HG23      VAL  27  19.481   7.972   7.261
  202    H    CYS  28           H        CYS  28  15.462   7.245   5.764
  203    HA   CYS  28           HA       CYS  28  13.920   7.489   8.198
  204    HB2  CYS  28           HB2      CYS  28  14.043   5.339   6.076
  205    HB3  CYS  28           HB3      CYS  28  12.973   5.276   7.473
  206    H    VAL  29           H        VAL  29  14.114   6.266  10.033
  207    HA   VAL  29           HA       VAL  29  16.357   4.368  10.168
  208    HB   VAL  29           HB       VAL  29  16.827   5.219  12.486
  209   HG11  VAL  29          HG11      VAL  29  17.438   7.591  10.951
  210   HG12  VAL  29          HG12      VAL  29  18.519   6.342  11.573
  211   HG13  VAL  29          HG13      VAL  29  17.722   6.124  10.015
  212   HG21  VAL  29          HG21      VAL  29  14.504   6.541  12.304
  213   HG22  VAL  29          HG22      VAL  29  15.814   7.043  13.373
  214   HG23  VAL  29          HG23      VAL  29  15.607   7.824  11.806
  215    H    LYS  30           H        LYS  30  16.255   3.150  12.352
  216    HA   LYS  30           HA       LYS  30  13.790   1.760  12.438
  217    HB2  LYS  30           HB2      LYS  30  15.968   0.722  12.977
  218    HB3  LYS  30           HB3      LYS  30  16.066   1.711  14.428
  219    HG2  LYS  30           HG2      LYS  30  13.848   0.622  15.094
  220    HG3  LYS  30           HG3      LYS  30  14.199  -0.553  13.825
  221    HD2  LYS  30           HD2      LYS  30  15.252  -1.644  15.498
  222    HD3  LYS  30           HD3      LYS  30  16.565  -0.525  15.123
  223    HE2  LYS  30           HE2      LYS  30  16.394   0.462  17.112
  224    HE3  LYS  30           HE3      LYS  30  14.652   0.665  16.932
  225    HZ1  LYS  30           HZ1      LYS  30  16.148  -1.448  18.272
  226    HZ2  LYS  30           HZ2      LYS  30  14.736  -1.912  17.465
  227    HZ3  LYS  30           HZ3      LYS  30  14.667  -0.742  18.685
  228    H    GLY  31           H        GLY  31  12.088   1.862  13.830
  229    HA2  GLY  31           HA2      GLY  31  11.760   4.308  15.314
  230    HA3  GLY  31           HA3      GLY  31  10.575   3.021  15.144
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.460   2.305  -2.418
    2    HA2  GLY   1           HA2      GLY   1   1.762   1.635   0.301
    3    HA3  GLY   1           HA3      GLY   1   1.890   0.169  -0.659
    4    H    TYR   2           H        TYR   2   4.061  -0.119  -0.074
    5    HA   TYR   2           HA       TYR   2   6.319   0.095  -0.255
    6    HB2  TYR   2           HB2      TYR   2   5.936  -0.218  -2.606
    7    HB3  TYR   2           HB3      TYR   2   5.462   1.465  -2.808
    8    HD1  TYR   2           HD1      TYR   2   7.023   2.911  -3.696
    9    HD2  TYR   2           HD2      TYR   2   8.385  -0.524  -1.587
   10    HE1  TYR   2           HE1      TYR   2   9.346   3.504  -4.244
   11    HE2  TYR   2           HE2      TYR   2  10.713   0.060  -2.128
   12    HH   TYR   2           HH       TYR   2  11.708   2.962  -3.078
   13    H    CYS   3           H        CYS   3   6.622   1.405   1.559
   14    HA   CYS   3           HA       CYS   3   6.745   4.300   1.111
   15    HB2  CYS   3           HB2      CYS   3   7.249   3.157   3.806
   16    HB3  CYS   3           HB3      CYS   3   6.350   4.599   3.345
   17    H    ALA   4           H        ALA   4   8.564   5.134   2.908
   18    HA   ALA   4           HA       ALA   4  11.058   4.294   1.676
   19    HB1  ALA   4           HB1      ALA   4  10.987   6.595   1.771
   20    HB2  ALA   4           HB2      ALA   4  10.216   6.613   3.358
   21    HB3  ALA   4           HB3      ALA   4  11.927   6.210   3.214
   22    H    THR   5           H        THR   5  12.010   2.553   2.516
   23    HA   THR   5           HA       THR   5  11.727   1.878   5.314
   24    HB   THR   5           HB       THR   5  13.381  -0.002   4.599
   25    HG1  THR   5           HG1      THR   5  13.625  -0.284   2.444
   26   HG21  THR   5          HG21      THR   5  10.548   0.322   4.369
   27   HG22  THR   5          HG22      THR   5  11.470  -1.137   4.732
   28   HG23  THR   5          HG23      THR   5  11.121  -0.707   3.058
   29    H    LYS   6           H        LYS   6  13.827   1.073   6.425
   30    HA   LYS   6           HA       LYS   6  15.394   3.202   7.133
   31    HB2  LYS   6           HB2      LYS   6  15.317   1.080   8.372
   32    HB3  LYS   6           HB3      LYS   6  16.230   0.296   7.090
   33    HG2  LYS   6           HG2      LYS   6  17.825   2.429   7.744
   34    HG3  LYS   6           HG3      LYS   6  17.148   1.950   9.302
   35    HD2  LYS   6           HD2      LYS   6  18.873   0.493   9.297
   36    HD3  LYS   6           HD3      LYS   6  17.785  -0.469   8.294
   37    HE2  LYS   6           HE2      LYS   6  18.856   0.896   6.340
   38    HE3  LYS   6           HE3      LYS   6  20.154   1.169   7.502
   39    HZ1  LYS   6           HZ1      LYS   6  20.643  -0.757   6.182
   40    HZ2  LYS   6           HZ2      LYS   6  19.154  -1.464   6.561
   41    HZ3  LYS   6           HZ3      LYS   6  20.323  -1.255   7.766
   42    H    GLY   7           H        GLY   7  17.160   4.228   6.367
   43    HA2  GLY   7           HA2      GLY   7  19.150   4.455   5.129
   44    HA3  GLY   7           HA3      GLY   7  18.733   3.002   4.233
   45    H    ILE   8           H        ILE   8  15.944   4.199   3.895
   46    HA   ILE   8           HA       ILE   8  16.549   5.552   1.408
   47    HB   ILE   8           HB       ILE   8  13.825   4.998   2.579
   48   HG12  ILE   8          HG12      ILE   8  15.158   2.919   2.396
   49   HG13  ILE   8          HG13      ILE   8  13.802   2.942   1.274
   50   HG21  ILE   8          HG21      ILE   8  13.236   6.272   0.835
   51   HG22  ILE   8          HG22      ILE   8  14.822   6.135   0.078
   52   HG23  ILE   8          HG23      ILE   8  13.628   4.856  -0.140
   53   HD11  ILE   8          HD11      ILE   8  15.778   2.046   0.212
   54   HD12  ILE   8          HD12      ILE   8  15.329   3.582  -0.531
   55   HD13  ILE   8          HD13      ILE   8  16.679   3.510   0.602
   56    H    LYS   9           H        LYS   9  16.571   7.679   1.114
   57    HA   LYS   9           HA       LYS   9  16.446   9.552   3.132
   58    HB2  LYS   9           HB2      LYS   9  15.765  10.031   0.225
   59    HB3  LYS   9           HB3      LYS   9  16.287  11.246   1.385
   60    HG2  LYS   9           HG2      LYS   9  18.151   9.029   1.188
   61    HG3  LYS   9           HG3      LYS   9  17.899   9.849  -0.355
   62    HD2  LYS   9           HD2      LYS   9  18.306  12.019   0.864
   63    HD3  LYS   9           HD3      LYS   9  18.815  11.053   2.251
   64    HE2  LYS   9           HE2      LYS   9  20.853  10.984   1.369
   65    HE3  LYS   9           HE3      LYS   9  20.198  10.002   0.060
   66    HZ1  LYS   9           HZ1      LYS   9  19.896  11.887  -1.281
   67    HZ2  LYS   9           HZ2      LYS   9  21.433  12.079  -0.603
   68    HZ3  LYS   9           HZ3      LYS   9  20.125  12.961   0.006
   69    H    CYS  10           H        CYS  10  14.898  10.887   3.986
   70    HA   CYS  10           HA       CYS  10  12.117  10.375   3.155
   71    HB2  CYS  10           HB2      CYS  10  11.390  10.387   5.406
   72    HB3  CYS  10           HB3      CYS  10  12.824   9.366   5.389
   73    H    ASN  11           H        ASN  11  14.124  12.519   2.488
   74    HA   ASN  11           HA       ASN  11  13.523  14.928   3.749
   75    HB2  ASN  11           HB2      ASN  11  14.621  14.155   1.093
   76    HB3  ASN  11           HB3      ASN  11  14.058  15.813   1.281
   77   HD21  ASN  11          HD21      ASN  11  16.765  14.576   0.970
   78   HD22  ASN  11          HD22      ASN  11  17.694  15.228   2.273
   79    H    ASP  12           H        ASP  12  11.669  13.051   1.529
   80    HA   ASP  12           HA       ASP  12   9.529  15.042   1.664
   81    HB2  ASP  12           HB2      ASP  12   9.011  14.619  -0.761
   82    HB3  ASP  12           HB3      ASP  12  10.502  15.512  -0.474
   83    H    ILE  13           H        ILE  13  10.471  11.762   0.704
   84    HA   ILE  13           HA       ILE  13   7.779  10.767   0.827
   85    HB   ILE  13           HB       ILE  13   9.533   9.793  -0.661
   86   HG12  ILE  13          HG12      ILE  13   8.776   7.495   1.019
   87   HG13  ILE  13          HG13      ILE  13   7.444   8.568   0.605
   88   HG21  ILE  13          HG21      ILE  13  10.603   8.552   1.868
   89   HG22  ILE  13          HG22      ILE  13  11.215   8.334   0.229
   90   HG23  ILE  13          HG23      ILE  13  11.360   9.902   1.023
   91   HD11  ILE  13          HD11      ILE  13   8.395   8.336  -1.812
   92   HD12  ILE  13          HD12      ILE  13   9.130   6.870  -1.161
   93   HD13  ILE  13          HD13      ILE  13   7.378   7.071  -1.122
   94    H    HIS  14           H        HIS  14   6.845   9.491   2.396
   95    HA   HIS  14           HA       HIS  14   8.071   9.682   5.042
   96    HB2  HIS  14           HB2      HIS  14   5.289   9.349   4.024
   97    HB3  HIS  14           HB3      HIS  14   5.668   8.685   5.610
   98    HD1  HIS  14           HD1      HIS  14   7.104  10.656   7.114
   99    HD2  HIS  14           HD2      HIS  14   4.326  11.849   4.265
  100    HE1  HIS  14           HE1      HIS  14   6.468  13.007   7.739
  101    H    CYS  15           H        CYS  15   8.104   7.858   6.477
  102    HA   CYS  15           HA       CYS  15   8.739   5.391   5.069
  103    HB2  CYS  15           HB2      CYS  15   8.964   5.688   8.039
  104    HB3  CYS  15           HB3      CYS  15   9.980   4.774   6.928
  105    H    CYS  16           H        CYS  16   7.891   3.343   5.699
  106    HA   CYS  16           HA       CYS  16   5.101   3.298   6.025
  107    HB2  CYS  16           HB2      CYS  16   7.273   1.282   5.919
  108    HB3  CYS  16           HB3      CYS  16   5.770   0.768   6.679
  109    H    SER  17           H        SER  17   3.829   2.452   7.753
  110    HA   SER  17           HA       SER  17   4.277   3.571  10.230
  111    HB2  SER  17           HB2      SER  17   2.488   2.137  11.068
  112    HB3  SER  17           HB3      SER  17   2.085   2.715   9.452
  113    HG   SER  17           HG       SER  17   2.774   0.699   8.637
  114    H    GLY  18           H        GLY  18   5.988   3.236  11.495
  115    HA2  GLY  18           HA2      GLY  18   6.643   1.469  13.219
  116    HA3  GLY  18           HA3      GLY  18   6.980   0.476  11.808
  117    H    LEU  19           H        LEU  19   7.860   3.188  10.542
  118    HA   LEU  19           HA       LEU  19  10.572   3.129  11.693
  119    HB2  LEU  19           HB2      LEU  19   9.674   3.642   8.864
  120    HB3  LEU  19           HB3      LEU  19  11.323   3.893   9.434
  121    HG   LEU  19           HG       LEU  19   9.911   1.229   9.484
  122   HD11  LEU  19          HD11      LEU  19  11.232   0.655   7.527
  123   HD12  LEU  19          HD12      LEU  19  11.897   2.288   7.476
  124   HD13  LEU  19          HD13      LEU  19  10.177   2.027   7.183
  125   HD21  LEU  19          HD21      LEU  19  11.866   1.760  11.062
  126   HD22  LEU  19          HD22      LEU  19  12.863   1.746   9.607
  127   HD23  LEU  19          HD23      LEU  19  11.967   0.301  10.077
  128    H    LYS  20           H        LYS  20  11.739   5.102  11.794
  129    HA   LYS  20           HA       LYS  20   9.990   7.458  11.970
  130    HB2  LYS  20           HB2      LYS  20  12.388   6.546  13.477
  131    HB3  LYS  20           HB3      LYS  20  12.177   8.279  13.265
  132    HG2  LYS  20           HG2      LYS  20   9.759   7.794  14.126
  133    HG3  LYS  20           HG3      LYS  20  10.507   6.337  14.785
  134    HD2  LYS  20           HD2      LYS  20  12.276   7.936  15.753
  135    HD3  LYS  20           HD3      LYS  20  11.105   9.211  15.412
  136    HE2  LYS  20           HE2      LYS  20   9.492   8.222  16.858
  137    HE3  LYS  20           HE3      LYS  20  10.455   6.755  17.029
  138    HZ1  LYS  20           HZ1      LYS  20  11.928   9.065  17.802
  139    HZ2  LYS  20           HZ2      LYS  20  11.598   7.660  18.684
  140    HZ3  LYS  20           HZ3      LYS  20  10.491   8.940  18.687
  141    H    CYS  21           H        CYS  21  10.569   9.405  11.028
  142    HA   CYS  21           HA       CYS  21  12.490   9.174   8.837
  143    HB2  CYS  21           HB2      CYS  21  10.383   9.985   8.108
  144    HB3  CYS  21           HB3      CYS  21  10.272  11.124   9.446
  145    H    ASP  22           H        ASP  22  14.483   9.478   9.744
  146    HA   ASP  22           HA       ASP  22  15.119  11.368  11.721
  147    HB2  ASP  22           HB2      ASP  22  16.471   9.326  10.726
  148    HB3  ASP  22           HB3      ASP  22  17.160  10.570   9.687
  149    H    SER  23           H        SER  23  14.588  13.454  11.425
  150    HA   SER  23           HA       SER  23  14.771  14.776   8.900
  151    HB2  SER  23           HB2      SER  23  13.189  15.333  10.846
  152    HB3  SER  23           HB3      SER  23  14.567  16.161  11.571
  153    HG   SER  23           HG       SER  23  14.672  17.273   9.427
  154    H    LYS  24           H        LYS  24  17.034  14.000  11.273
  155    HA   LYS  24           HA       LYS  24  18.768  16.276  10.823
  156    HB2  LYS  24           HB2      LYS  24  18.974  13.769  12.472
  157    HB3  LYS  24           HB3      LYS  24  20.371  14.809  12.225
  158    HG2  LYS  24           HG2      LYS  24  18.661  16.667  13.027
  159    HG3  LYS  24           HG3      LYS  24  17.911  15.274  13.810
  160    HD2  LYS  24           HD2      LYS  24  20.010  14.747  14.923
  161    HD3  LYS  24           HD3      LYS  24  20.802  16.093  14.101
  162    HE2  LYS  24           HE2      LYS  24  19.538  17.691  15.291
  163    HE3  LYS  24           HE3      LYS  24  18.397  16.475  15.863
  164    HZ1  LYS  24           HZ1      LYS  24  19.641  16.526  17.704
  165    HZ2  LYS  24           HZ2      LYS  24  20.968  17.233  16.931
  166    HZ3  LYS  24           HZ3      LYS  24  20.728  15.562  16.837
  167    H    ARG  25           H        ARG  25  18.682  12.836   9.987
  168    HA   ARG  25           HA       ARG  25  21.012  13.218   8.246
  169    HB2  ARG  25           HB2      ARG  25  19.648  10.717   9.251
  170    HB3  ARG  25           HB3      ARG  25  20.967  10.711   8.088
  171    HG2  ARG  25           HG2      ARG  25  22.151  12.138   9.975
  172    HG3  ARG  25           HG3      ARG  25  21.000  11.274  10.997
  173    HD2  ARG  25           HD2      ARG  25  22.447   9.638   9.017
  174    HD3  ARG  25           HD3      ARG  25  23.428  10.317  10.315
  175    HE   ARG  25           HE       ARG  25  21.486   8.218  10.533
  176   HH11  ARG  25          HH11      ARG  25  23.117  10.776  12.240
  177   HH12  ARG  25          HH12      ARG  25  22.903  10.049  13.798
  178   HH21  ARG  25          HH21      ARG  25  21.198   7.251  12.578
  179   HH22  ARG  25          HH22      ARG  25  21.812   8.044  13.989
  180    H    LYS  26           H        LYS  26  17.803  13.558   8.007
  181    HA   LYS  26           HA       LYS  26  16.261  13.477   6.332
  182    HB2  LYS  26           HB2      LYS  26  18.733  13.545   4.592
  183    HB3  LYS  26           HB3      LYS  26  17.100  13.944   4.075
  184    HG2  LYS  26           HG2      LYS  26  17.914  16.034   4.450
  185    HG3  LYS  26           HG3      LYS  26  17.263  15.678   6.052
  186    HD2  LYS  26           HD2      LYS  26  19.332  15.447   6.992
  187    HD3  LYS  26           HD3      LYS  26  20.071  14.887   5.490
  188    HE2  LYS  26           HE2      LYS  26  19.202  17.721   6.050
  189    HE3  LYS  26           HE3      LYS  26  20.857  17.126   6.172
  190    HZ1  LYS  26           HZ1      LYS  26  20.996  17.788   4.056
  191    HZ2  LYS  26           HZ2      LYS  26  19.320  17.821   3.832
  192    HZ3  LYS  26           HZ3      LYS  26  20.162  16.361   3.691
  193    H    VAL  27           H        VAL  27  16.871  10.980   7.400
  194    HA   VAL  27           HA       VAL  27  16.142   9.282   5.159
  195    HB   VAL  27           HB       VAL  27  17.808   7.531   5.830
  196   HG11  VAL  27          HG11      VAL  27  18.153   8.830   3.826
  197   HG12  VAL  27          HG12      VAL  27  18.876  10.141   4.761
  198   HG13  VAL  27          HG13      VAL  27  19.699   8.585   4.637
  199   HG21  VAL  27          HG21      VAL  27  19.511   9.632   7.049
  200   HG22  VAL  27          HG22      VAL  27  18.231   8.937   8.045
  201   HG23  VAL  27          HG23      VAL  27  19.470   7.894   7.346
  202    H    CYS  28           H        CYS  28  15.436   7.116   5.878
  203    HA   CYS  28           HA       CYS  28  13.897   7.348   8.315
  204    HB2  CYS  28           HB2      CYS  28  14.045   5.164   6.227
  205    HB3  CYS  28           HB3      CYS  28  12.947   5.149   7.604
  206    H    VAL  29           H        VAL  29  14.190   6.246  10.185
  207    HA   VAL  29           HA       VAL  29  16.370   4.276  10.307
  208    HB   VAL  29           HB       VAL  29  17.047   5.211  12.513
  209   HG11  VAL  29          HG11      VAL  29  18.221   7.209  11.568
  210   HG12  VAL  29          HG12      VAL  29  18.398   5.734  10.615
  211   HG13  VAL  29          HG13      VAL  29  17.277   6.993  10.094
  212   HG21  VAL  29          HG21      VAL  29  14.702   6.585  12.418
  213   HG22  VAL  29          HG22      VAL  29  16.051   6.976  13.485
  214   HG23  VAL  29          HG23      VAL  29  15.858   7.835  11.956
  215    H    LYS  30           H        LYS  30  16.281   2.897  12.232
  216    HA   LYS  30           HA       LYS  30  13.604   2.006  12.722
  217    HB2  LYS  30           HB2      LYS  30  15.688   0.549  12.522
  218    HB3  LYS  30           HB3      LYS  30  16.086   1.069  14.154
  219    HG2  LYS  30           HG2      LYS  30  14.122   0.050  15.038
  220    HG3  LYS  30           HG3      LYS  30  13.501  -0.283  13.420
  221    HD2  LYS  30           HD2      LYS  30  16.166  -1.382  14.145
  222    HD3  LYS  30           HD3      LYS  30  14.739  -2.136  14.858
  223    HE2  LYS  30           HE2      LYS  30  13.931  -1.981  12.307
  224    HE3  LYS  30           HE3      LYS  30  15.672  -2.094  12.051
  225    HZ1  LYS  30           HZ1      LYS  30  15.611  -4.247  12.503
  226    HZ2  LYS  30           HZ2      LYS  30  13.923  -4.167  12.565
  227    HZ3  LYS  30           HZ3      LYS  30  14.831  -3.987  13.981
  228    H    GLY  31           H        GLY  31  12.967   4.153  13.668
  229    HA2  GLY  31           HA2      GLY  31  11.996   4.936  15.663
  230    HA3  GLY  31           HA3      GLY  31  13.122   3.942  16.575
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   0.730   1.458   0.323
    2    HA2  GLY   1           HA2      GLY   1   2.113   0.108   1.759
    3    HA3  GLY   1           HA3      GLY   1   2.103  -0.682   0.189
    4    H    TYR   2           H        TYR   2   3.759   1.051  -1.237
    5    HA   TYR   2           HA       TYR   2   6.330   0.230  -0.191
    6    HB2  TYR   2           HB2      TYR   2   5.933  -0.090  -2.553
    7    HB3  TYR   2           HB3      TYR   2   5.537   1.612  -2.761
    8    HD1  TYR   2           HD1      TYR   2   8.357  -0.468  -1.446
    9    HD2  TYR   2           HD2      TYR   2   7.169   2.953  -3.680
   10    HE1  TYR   2           HE1      TYR   2  10.715   0.011  -1.956
   11    HE2  TYR   2           HE2      TYR   2   9.523   3.440  -4.197
   12    HH   TYR   2           HH       TYR   2  11.781   1.728  -4.285
   13    H    CYS   3           H        CYS   3   6.645   1.548   1.607
   14    HA   CYS   3           HA       CYS   3   6.774   4.440   1.147
   15    HB2  CYS   3           HB2      CYS   3   7.278   3.308   3.847
   16    HB3  CYS   3           HB3      CYS   3   6.381   4.749   3.379
   17    H    ALA   4           H        ALA   4   8.597   5.278   2.939
   18    HA   ALA   4           HA       ALA   4  11.087   4.435   1.706
   19    HB1  ALA   4           HB1      ALA   4  10.258   6.745   3.410
   20    HB2  ALA   4           HB2      ALA   4  11.967   6.345   3.237
   21    HB3  ALA   4           HB3      ALA   4  11.006   6.739   1.812
   22    H    THR   5           H        THR   5  12.036   2.688   2.538
   23    HA   THR   5           HA       THR   5  11.758   2.006   5.335
   24    HB   THR   5           HB       THR   5  13.405   0.123   4.608
   25    HG1  THR   5           HG1      THR   5  13.951   0.141   2.569
   26   HG21  THR   5          HG21      THR   5  11.492  -1.009   4.748
   27   HG22  THR   5          HG22      THR   5  11.131  -0.570   3.079
   28   HG23  THR   5          HG23      THR   5  10.572   0.454   4.401
   29    H    LYS   6           H        LYS   6  13.845   1.207   6.453
   30    HA   LYS   6           HA       LYS   6  15.429   3.331   7.141
   31    HB2  LYS   6           HB2      LYS   6  15.305   1.182   8.373
   32    HB3  LYS   6           HB3      LYS   6  16.293   0.433   7.126
   33    HG2  LYS   6           HG2      LYS   6  18.172   1.783   7.696
   34    HG3  LYS   6           HG3      LYS   6  17.197   2.777   8.781
   35    HD2  LYS   6           HD2      LYS   6  17.114   1.156  10.411
   36    HD3  LYS   6           HD3      LYS   6  17.352  -0.163   9.261
   37    HE2  LYS   6           HE2      LYS   6  19.699   0.825   8.929
   38    HE3  LYS   6           HE3      LYS   6  19.384   1.722  10.414
   39    HZ1  LYS   6           HZ1      LYS   6  20.569  -0.439  10.707
   40    HZ2  LYS   6           HZ2      LYS   6  19.156  -1.228  10.218
   41    HZ3  LYS   6           HZ3      LYS   6  19.154  -0.284  11.622
   42    H    GLY   7           H        GLY   7  17.206   4.331   6.366
   43    HA2  GLY   7           HA2      GLY   7  19.199   4.529   5.129
   44    HA3  GLY   7           HA3      GLY   7  18.777   3.063   4.257
   45    H    ILE   8           H        ILE   8  15.994   4.287   3.902
   46    HA   ILE   8           HA       ILE   8  16.615   5.587   1.388
   47    HB   ILE   8           HB       ILE   8  13.885   5.072   2.563
   48   HG12  ILE   8          HG12      ILE   8  15.203   2.981   2.417
   49   HG13  ILE   8          HG13      ILE   8  13.850   2.995   1.292
   50   HG21  ILE   8          HG21      ILE   8  14.882   5.701  -0.203
   51   HG22  ILE   8          HG22      ILE   8  13.275   5.049   0.111
   52   HG23  ILE   8          HG23      ILE   8  13.736   6.614   0.778
   53   HD11  ILE   8          HD11      ILE   8  15.200   2.710  -0.438
   54   HD12  ILE   8          HD12      ILE   8  16.235   4.048   0.065
   55   HD13  ILE   8          HD13      ILE   8  16.502   2.432   0.718
   56    H    LYS   9           H        LYS   9  16.636   7.708   1.049
   57    HA   LYS   9           HA       LYS   9  16.517   9.615   3.043
   58    HB2  LYS   9           HB2      LYS   9  15.971   9.949   0.088
   59    HB3  LYS   9           HB3      LYS   9  16.263  11.277   1.204
   60    HG2  LYS   9           HG2      LYS   9  18.332   9.227   1.291
   61    HG3  LYS   9           HG3      LYS   9  18.161   9.990  -0.292
   62    HD2  LYS   9           HD2      LYS   9  18.319  12.205   0.814
   63    HD3  LYS   9           HD3      LYS   9  18.617  11.382   2.347
   64    HE2  LYS   9           HE2      LYS   9  20.334  10.639   0.048
   65    HE3  LYS   9           HE3      LYS   9  20.584  12.233   0.757
   66    HZ1  LYS   9           HZ1      LYS   9  20.396   9.971   2.591
   67    HZ2  LYS   9           HZ2      LYS   9  21.357  11.359   2.682
   68    HZ3  LYS   9           HZ3      LYS   9  21.803  10.088   1.658
   69    H    CYS  10           H        CYS  10  14.970  10.959   3.871
   70    HA   CYS  10           HA       CYS  10  12.196  10.471   3.004
   71    HB2  CYS  10           HB2      CYS  10  11.439  10.531   5.255
   72    HB3  CYS  10           HB3      CYS  10  12.834   9.458   5.243
   73    H    ASN  11           H        ASN  11  14.179  12.580   2.287
   74    HA   ASN  11           HA       ASN  11  13.672  15.010   3.532
   75    HB2  ASN  11           HB2      ASN  11  14.213  14.542   0.591
   76    HB3  ASN  11           HB3      ASN  11  14.432  16.062   1.454
   77   HD21  ASN  11          HD21      ASN  11  16.471  16.472   1.839
   78   HD22  ASN  11          HD22      ASN  11  17.692  15.315   2.238
   79    H    ASP  12           H        ASP  12  11.688  13.153   1.395
   80    HA   ASP  12           HA       ASP  12   9.573  15.157   1.656
   81    HB2  ASP  12           HB2      ASP  12  10.883  15.214  -0.627
   82    HB3  ASP  12           HB3      ASP  12   9.897  13.802  -0.993
   83    H    ILE  13           H        ILE  13  10.477  11.879   0.678
   84    HA   ILE  13           HA       ILE  13   7.784  10.890   0.852
   85    HB   ILE  13           HB       ILE  13   9.508   9.908  -0.666
   86   HG12  ILE  13          HG12      ILE  13   8.633   7.731   1.188
   87   HG13  ILE  13          HG13      ILE  13   7.406   8.722   0.406
   88   HG21  ILE  13          HG21      ILE  13  11.191   8.426   0.210
   89   HG22  ILE  13          HG22      ILE  13  11.376  10.014   0.954
   90   HG23  ILE  13          HG23      ILE  13  10.625   8.699   1.858
   91   HD11  ILE  13          HD11      ILE  13   8.952   8.093  -1.710
   92   HD12  ILE  13          HD12      ILE  13   9.162   6.656  -0.708
   93   HD13  ILE  13          HD13      ILE  13   7.544   7.164  -1.194
   94    H    HIS  14           H        HIS  14   6.875   9.636   2.448
   95    HA   HIS  14           HA       HIS  14   8.160   9.825   5.066
   96    HB2  HIS  14           HB2      HIS  14   5.336   8.997   4.366
   97    HB3  HIS  14           HB3      HIS  14   5.960   9.303   5.985
   98    HD1  HIS  14           HD1      HIS  14   4.676  11.013   2.952
   99    HD2  HIS  14           HD2      HIS  14   6.359  12.038   6.609
  100    HE1  HIS  14           HE1      HIS  14   4.261  13.479   3.215
  101    H    CYS  15           H        CYS  15   8.165   7.999   6.518
  102    HA   CYS  15           HA       CYS  15   8.786   5.528   5.108
  103    HB2  CYS  15           HB2      CYS  15   9.011   5.819   8.078
  104    HB3  CYS  15           HB3      CYS  15  10.024   4.904   6.966
  105    H    CYS  16           H        CYS  16   7.930   3.484   5.747
  106    HA   CYS  16           HA       CYS  16   5.138   3.455   6.066
  107    HB2  CYS  16           HB2      CYS  16   7.298   1.427   5.964
  108    HB3  CYS  16           HB3      CYS  16   5.791   0.922   6.723
  109    H    SER  17           H        SER  17   3.859   2.616   7.794
  110    HA   SER  17           HA       SER  17   4.309   3.735  10.269
  111    HB2  SER  17           HB2      SER  17   2.638   1.325   9.532
  112    HB3  SER  17           HB3      SER  17   2.583   2.103  11.113
  113    HG   SER  17           HG       SER  17   1.060   3.199  10.099
  114    H    GLY  18           H        GLY  18   6.053   3.398  11.495
  115    HA2  GLY  18           HA2      GLY  18   6.691   1.632  13.238
  116    HA3  GLY  18           HA3      GLY  18   7.016   0.632  11.830
  117    H    LEU  19           H        LEU  19   7.898   3.364  10.577
  118    HA   LEU  19           HA       LEU  19  10.617   3.284  11.710
  119    HB2  LEU  19           HB2      LEU  19   9.714   3.779   8.880
  120    HB3  LEU  19           HB3      LEU  19  11.364   4.036   9.444
  121    HG   LEU  19           HG       LEU  19   9.954   1.372   9.515
  122   HD11  LEU  19          HD11      LEU  19  11.288   0.786   7.565
  123   HD12  LEU  19          HD12      LEU  19  11.929   2.428   7.496
  124   HD13  LEU  19          HD13      LEU  19  10.213   2.138   7.210
  125   HD21  LEU  19          HD21      LEU  19  11.893   1.888  11.097
  126   HD22  LEU  19          HD22      LEU  19  12.903   1.916   9.651
  127   HD23  LEU  19          HD23      LEU  19  12.027   0.448  10.088
  128    H    LYS  20           H        LYS  20  11.806   5.259  11.754
  129    HA   LYS  20           HA       LYS  20  10.066   7.625  11.920
  130    HB2  LYS  20           HB2      LYS  20  12.477   6.737  13.439
  131    HB3  LYS  20           HB3      LYS  20  12.199   8.464  13.250
  132    HG2  LYS  20           HG2      LYS  20  10.014   6.685  14.247
  133    HG3  LYS  20           HG3      LYS  20  11.283   7.249  15.337
  134    HD2  LYS  20           HD2      LYS  20  10.047   9.315  13.636
  135    HD3  LYS  20           HD3      LYS  20   8.992   8.599  14.857
  136    HE2  LYS  20           HE2      LYS  20  11.551   9.156  16.012
  137    HE3  LYS  20           HE3      LYS  20  10.948  10.601  15.201
  138    HZ1  LYS  20           HZ1      LYS  20   8.780   9.625  16.538
  139    HZ2  LYS  20           HZ2      LYS  20   9.745  10.926  17.024
  140    HZ3  LYS  20           HZ3      LYS  20  10.054   9.374  17.622
  141    H    CYS  21           H        CYS  21  10.615   9.521  10.904
  142    HA   CYS  21           HA       CYS  21  12.587   9.269   8.768
  143    HB2  CYS  21           HB2      CYS  21  10.498  10.061   7.982
  144    HB3  CYS  21           HB3      CYS  21  10.348  11.213   9.305
  145    H    ASP  22           H        ASP  22  14.569   9.607   9.677
  146    HA   ASP  22           HA       ASP  22  15.169  11.527  11.639
  147    HB2  ASP  22           HB2      ASP  22  16.543   9.476  10.685
  148    HB3  ASP  22           HB3      ASP  22  17.244  10.716   9.649
  149    H    SER  23           H        SER  23  14.640  13.608  11.308
  150    HA   SER  23           HA       SER  23  14.838  14.892   8.766
  151    HB2  SER  23           HB2      SER  23  13.167  15.619  10.386
  152    HB3  SER  23           HB3      SER  23  14.433  16.046  11.537
  153    HG   SER  23           HG       SER  23  14.481  17.912  10.597
  154    H    LYS  24           H        LYS  24  17.091  14.152  11.160
  155    HA   LYS  24           HA       LYS  24  18.825  16.422  10.687
  156    HB2  LYS  24           HB2      LYS  24  19.334  13.867  12.223
  157    HB3  LYS  24           HB3      LYS  24  20.364  15.292  12.229
  158    HG2  LYS  24           HG2      LYS  24  18.117  16.456  13.012
  159    HG3  LYS  24           HG3      LYS  24  17.765  14.819  13.571
  160    HD2  LYS  24           HD2      LYS  24  19.617  14.793  15.010
  161    HD3  LYS  24           HD3      LYS  24  20.370  16.173  14.207
  162    HE2  LYS  24           HE2      LYS  24  18.867  17.692  15.165
  163    HE3  LYS  24           HE3      LYS  24  17.725  16.422  15.604
  164    HZ1  LYS  24           HZ1      LYS  24  20.061  15.785  16.904
  165    HZ2  LYS  24           HZ2      LYS  24  18.664  16.439  17.598
  166    HZ3  LYS  24           HZ3      LYS  24  19.914  17.460  17.091
  167    H    ARG  25           H        ARG  25  18.747  12.972   9.893
  168    HA   ARG  25           HA       ARG  25  21.081  13.336   8.154
  169    HB2  ARG  25           HB2      ARG  25  19.713  10.827   9.138
  170    HB3  ARG  25           HB3      ARG  25  21.086  10.846   8.041
  171    HG2  ARG  25           HG2      ARG  25  21.807  12.423  10.257
  172    HG3  ARG  25           HG3      ARG  25  21.053  10.959  10.891
  173    HD2  ARG  25           HD2      ARG  25  22.587   9.795   9.096
  174    HD3  ARG  25           HD3      ARG  25  23.527  11.277   9.261
  175    HE   ARG  25           HE       ARG  25  23.299   9.148  11.174
  176   HH11  ARG  25          HH11      ARG  25  23.954  12.540  10.742
  177   HH12  ARG  25          HH12      ARG  25  24.886  12.678  12.195
  178   HH21  ARG  25          HH21      ARG  25  24.524   9.318  13.090
  179   HH22  ARG  25          HH22      ARG  25  25.210  10.845  13.530
  180    H    LYS  26           H        LYS  26  17.874  13.673   7.900
  181    HA   LYS  26           HA       LYS  26  16.337  13.569   6.222
  182    HB2  LYS  26           HB2      LYS  26  18.692  13.500   4.342
  183    HB3  LYS  26           HB3      LYS  26  17.097  14.184   4.055
  184    HG2  LYS  26           HG2      LYS  26  19.102  15.244   6.036
  185    HG3  LYS  26           HG3      LYS  26  18.820  15.896   4.421
  186    HD2  LYS  26           HD2      LYS  26  16.303  15.912   5.365
  187    HD3  LYS  26           HD3      LYS  26  17.190  16.123   6.877
  188    HE2  LYS  26           HE2      LYS  26  18.419  18.010   5.815
  189    HE3  LYS  26           HE3      LYS  26  17.374  17.841   4.405
  190    HZ1  LYS  26           HZ1      LYS  26  15.598  18.000   6.418
  191    HZ2  LYS  26           HZ2      LYS  26  16.093  19.310   5.470
  192    HZ3  LYS  26           HZ3      LYS  26  16.820  19.031   6.972
  193    H    VAL  27           H        VAL  27  16.957  11.085   7.328
  194    HA   VAL  27           HA       VAL  27  16.219   9.356   5.113
  195    HB   VAL  27           HB       VAL  27  17.894   7.617   5.799
  196   HG11  VAL  27          HG11      VAL  27  18.951  10.211   4.682
  197   HG12  VAL  27          HG12      VAL  27  19.769   8.651   4.568
  198   HG13  VAL  27          HG13      VAL  27  18.213   8.893   3.772
  199   HG21  VAL  27          HG21      VAL  27  19.505   7.979   7.343
  200   HG22  VAL  27          HG22      VAL  27  19.661   9.688   6.938
  201   HG23  VAL  27          HG23      VAL  27  18.338   9.144   7.969
  202    H    CYS  28           H        CYS  28  15.479   7.224   5.848
  203    HA   CYS  28           HA       CYS  28  13.980   7.477   8.305
  204    HB2  CYS  28           HB2      CYS  28  14.086   5.285   6.224
  205    HB3  CYS  28           HB3      CYS  28  13.010   5.277   7.618
  206    H    VAL  29           H        VAL  29  14.201   6.263  10.145
  207    HA   VAL  29           HA       VAL  29  16.475   4.400  10.267
  208    HB   VAL  29           HB       VAL  29  16.977   5.242  12.556
  209   HG11  VAL  29          HG11      VAL  29  18.242   5.959  10.541
  210   HG12  VAL  29          HG12      VAL  29  17.193   7.375  10.436
  211   HG13  VAL  29          HG13      VAL  29  18.241   7.155  11.837
  212   HG21  VAL  29          HG21      VAL  29  14.558   6.627  12.204
  213   HG22  VAL  29          HG22      VAL  29  15.650   6.697  13.587
  214   HG23  VAL  29          HG23      VAL  29  15.826   7.852  12.267
  215    H    LYS  30           H        LYS  30  16.393   2.990  12.223
  216    HA   LYS  30           HA       LYS  30  14.033   1.546  12.351
  217    HB2  LYS  30           HB2      LYS  30  16.307   0.768  13.076
  218    HB3  LYS  30           HB3      LYS  30  16.102   1.708  14.548
  219    HG2  LYS  30           HG2      LYS  30  15.061   0.001  15.488
  220    HG3  LYS  30           HG3      LYS  30  13.805   0.083  14.250
  221    HD2  LYS  30           HD2      LYS  30  14.686  -1.634  13.052
  222    HD3  LYS  30           HD3      LYS  30  16.348  -1.222  13.482
  223    HE2  LYS  30           HE2      LYS  30  16.235  -3.021  14.814
  224    HE3  LYS  30           HE3      LYS  30  15.317  -1.971  15.893
  225    HZ1  LYS  30           HZ1      LYS  30  13.276  -2.778  14.871
  226    HZ2  LYS  30           HZ2      LYS  30  14.169  -4.055  15.527
  227    HZ3  LYS  30           HZ3      LYS  30  14.164  -3.799  13.855
  228    H    GLY  31           H        GLY  31  12.204   1.639  13.538
  229    HA2  GLY  31           HA2      GLY  31  12.078   3.623  15.717
  230    HA3  GLY  31           HA3      GLY  31  10.849   3.600  14.461
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   1.497  -0.557   0.083
    2    HA2  GLY   1           HA2      GLY   1   1.965  -0.554  -2.695
    3    HA3  GLY   1           HA3      GLY   1   2.027   1.103  -2.111
    4    H    TYR   2           H        TYR   2   3.823   1.819  -1.094
    5    HA   TYR   2           HA       TYR   2   5.697   0.161   0.223
    6    HB2  TYR   2           HB2      TYR   2   6.232  -0.590  -2.039
    7    HB3  TYR   2           HB3      TYR   2   6.466   1.076  -2.558
    8    HD1  TYR   2           HD1      TYR   2   7.672  -0.940   0.357
    9    HD2  TYR   2           HD2      TYR   2   8.686   1.531  -2.955
   10    HE1  TYR   2           HE1      TYR   2  10.045  -1.085   0.984
   11    HE2  TYR   2           HE2      TYR   2  11.063   1.391  -2.338
   12    HH   TYR   2           HH       TYR   2  12.535  -0.258  -1.039
   13    H    CYS   3           H        CYS   3   6.539   1.447   1.711
   14    HA   CYS   3           HA       CYS   3   6.673   4.329   1.190
   15    HB2  CYS   3           HB2      CYS   3   7.233   3.247   3.899
   16    HB3  CYS   3           HB3      CYS   3   6.334   4.684   3.424
   17    H    ALA   4           H        ALA   4   8.541   5.190   2.924
   18    HA   ALA   4           HA       ALA   4  10.999   4.297   1.656
   19    HB1  ALA   4           HB1      ALA   4  10.862   6.621   1.701
   20    HB2  ALA   4           HB2      ALA   4  10.268   6.649   3.362
   21    HB3  ALA   4           HB3      ALA   4  11.953   6.245   3.035
   22    H    THR   5           H        THR   5  11.958   2.572   2.521
   23    HA   THR   5           HA       THR   5  11.734   1.976   5.342
   24    HB   THR   5           HB       THR   5  13.366   0.068   4.634
   25    HG1  THR   5           HG1      THR   5  13.107  -0.377   2.344
   26   HG21  THR   5          HG21      THR   5  10.526   0.399   4.484
   27   HG22  THR   5          HG22      THR   5  11.454  -1.052   4.865
   28   HG23  THR   5          HG23      THR   5  11.056  -0.675   3.189
   29    H    LYS   6           H        LYS   6  13.865   1.169   6.410
   30    HA   LYS   6           HA       LYS   6  15.457   3.302   7.044
   31    HB2  LYS   6           HB2      LYS   6  15.448   1.256   8.355
   32    HB3  LYS   6           HB3      LYS   6  16.209   0.374   7.037
   33    HG2  LYS   6           HG2      LYS   6  17.713   2.723   7.902
   34    HG3  LYS   6           HG3      LYS   6  17.512   1.495   9.154
   35    HD2  LYS   6           HD2      LYS   6  18.240   0.454   6.504
   36    HD3  LYS   6           HD3      LYS   6  19.467   1.469   7.267
   37    HE2  LYS   6           HE2      LYS   6  19.725   0.030   9.061
   38    HE3  LYS   6           HE3      LYS   6  18.134  -0.696   8.838
   39    HZ1  LYS   6           HZ1      LYS   6  20.521  -1.725   7.990
   40    HZ2  LYS   6           HZ2      LYS   6  19.823  -1.112   6.577
   41    HZ3  LYS   6           HZ3      LYS   6  18.983  -2.243   7.512
   42    H    GLY   7           H        GLY   7  17.160   4.341   6.182
   43    HA2  GLY   7           HA2      GLY   7  19.150   4.500   4.903
   44    HA3  GLY   7           HA3      GLY   7  18.654   3.075   4.002
   45    H    ILE   8           H        ILE   8  15.894   4.324   3.763
   46    HA   ILE   8           HA       ILE   8  16.454   5.730   1.293
   47    HB   ILE   8           HB       ILE   8  13.752   5.185   2.518
   48   HG12  ILE   8          HG12      ILE   8  15.048   3.091   2.266
   49   HG13  ILE   8          HG13      ILE   8  13.671   3.156   1.172
   50   HG21  ILE   8          HG21      ILE   8  13.087   5.249   0.076
   51   HG22  ILE   8          HG22      ILE   8  13.561   6.787   0.796
   52   HG23  ILE   8          HG23      ILE   8  14.688   5.916  -0.244
   53   HD11  ILE   8          HD11      ILE   8  16.401   2.735   0.563
   54   HD12  ILE   8          HD12      ILE   8  15.019   2.770  -0.531
   55   HD13  ILE   8          HD13      ILE   8  15.902   4.255  -0.178
   56    H    LYS   9           H        LYS   9  16.364   7.865   0.982
   57    HA   LYS   9           HA       LYS   9  16.407   9.713   3.027
   58    HB2  LYS   9           HB2      LYS   9  15.440  10.246   0.214
   59    HB3  LYS   9           HB3      LYS   9  16.111  11.423   1.334
   60    HG2  LYS   9           HG2      LYS   9  17.994   9.324   1.052
   61    HG3  LYS   9           HG3      LYS   9  17.462   9.805  -0.561
   62    HD2  LYS   9           HD2      LYS   9  18.280  11.827   1.506
   63    HD3  LYS   9           HD3      LYS   9  19.461  11.046   0.451
   64    HE2  LYS   9           HE2      LYS   9  17.165  12.050  -1.015
   65    HE3  LYS   9           HE3      LYS   9  17.988  13.323  -0.114
   66    HZ1  LYS   9           HZ1      LYS   9  20.098  12.356  -1.147
   67    HZ2  LYS   9           HZ2      LYS   9  19.083  13.271  -2.143
   68    HZ3  LYS   9           HZ3      LYS   9  19.065  11.582  -2.241
   69    H    CYS  10           H        CYS  10  14.931  11.017   4.037
   70    HA   CYS  10           HA       CYS  10  12.091  10.471   3.466
   71    HB2  CYS  10           HB2      CYS  10  11.579  10.377   5.740
   72    HB3  CYS  10           HB3      CYS  10  13.121   9.531   5.653
   73    H    ASN  11           H        ASN  11  14.179  12.683   2.824
   74    HA   ASN  11           HA       ASN  11  13.398  15.051   4.099
   75    HB2  ASN  11           HB2      ASN  11  15.434  14.808   2.696
   76    HB3  ASN  11           HB3      ASN  11  14.411  14.739   1.264
   77   HD21  ASN  11          HD21      ASN  11  15.712  16.578   0.600
   78   HD22  ASN  11          HD22      ASN  11  15.261  18.159   1.132
   79    H    ASP  12           H        ASP  12  11.794  13.132   1.760
   80    HA   ASP  12           HA       ASP  12   9.664  15.140   1.589
   81    HB2  ASP  12           HB2      ASP  12  11.121  15.173  -0.488
   82    HB3  ASP  12           HB3      ASP  12  10.550  13.539  -0.812
   83    H    ILE  13           H        ILE  13  10.512  11.806   0.648
   84    HA   ILE  13           HA       ILE  13   7.805  10.899   0.850
   85    HB   ILE  13           HB       ILE  13   9.493   9.858  -0.660
   86   HG12  ILE  13          HG12      ILE  13   8.393   7.864   1.323
   87   HG13  ILE  13          HG13      ILE  13   7.380   8.717   0.164
   88   HG21  ILE  13          HG21      ILE  13  11.355   9.934   0.998
   89   HG22  ILE  13          HG22      ILE  13  10.586   8.594   1.847
   90   HG23  ILE  13          HG23      ILE  13  11.165   8.375   0.196
   91   HD11  ILE  13          HD11      ILE  13   9.551   6.723  -0.381
   92   HD12  ILE  13          HD12      ILE  13   7.838   6.625  -0.790
   93   HD13  ILE  13          HD13      ILE  13   8.883   7.768  -1.634
   94    H    HIS  14           H        HIS  14   6.868   9.607   2.420
   95    HA   HIS  14           HA       HIS  14   8.106   9.801   5.060
   96    HB2  HIS  14           HB2      HIS  14   5.309   8.870   4.407
   97    HB3  HIS  14           HB3      HIS  14   5.927   9.400   5.968
   98    HD1  HIS  14           HD1      HIS  14   7.238  12.047   5.179
   99    HD2  HIS  14           HD2      HIS  14   3.510  10.818   3.818
  100    HE1  HIS  14           HE1      HIS  14   6.033  14.155   4.525
  101    H    CYS  15           H        CYS  15   8.164   7.988   6.496
  102    HA   CYS  15           HA       CYS  15   8.754   5.506   5.093
  103    HB2  CYS  15           HB2      CYS  15   9.046   5.815   8.054
  104    HB3  CYS  15           HB3      CYS  15  10.037   4.899   6.923
  105    H    CYS  16           H        CYS  16   7.926   3.462   5.798
  106    HA   CYS  16           HA       CYS  16   5.137   3.435   6.166
  107    HB2  CYS  16           HB2      CYS  16   7.298   1.410   6.047
  108    HB3  CYS  16           HB3      CYS  16   5.811   0.913   6.848
  109    H    SER  17           H        SER  17   3.896   2.612   7.931
  110    HA   SER  17           HA       SER  17   4.392   3.770  10.381
  111    HB2  SER  17           HB2      SER  17   2.645   1.475   9.541
  112    HB3  SER  17           HB3      SER  17   2.754   1.930  11.242
  113    HG   SER  17           HG       SER  17   1.256   3.307  10.685
  114    H    GLY  18           H        GLY  18   6.098   3.450  11.652
  115    HA2  GLY  18           HA2      GLY  18   6.785   1.699  13.376
  116    HA3  GLY  18           HA3      GLY  18   7.114   0.699  11.968
  117    H    LEU  19           H        LEU  19   7.985   3.353  10.632
  118    HA   LEU  19           HA       LEU  19  10.706   3.324  11.759
  119    HB2  LEU  19           HB2      LEU  19   9.755   3.859   8.952
  120    HB3  LEU  19           HB3      LEU  19  11.414   4.104   9.494
  121    HG   LEU  19           HG       LEU  19  10.003   1.440   9.553
  122   HD11  LEU  19          HD11      LEU  19  11.273   0.881   7.559
  123   HD12  LEU  19          HD12      LEU  19  11.936   2.513   7.503
  124   HD13  LEU  19          HD13      LEU  19  10.210   2.254   7.252
  125   HD21  LEU  19          HD21      LEU  19  12.958   1.901   9.569
  126   HD22  LEU  19          HD22      LEU  19  12.038   0.509  10.141
  127   HD23  LEU  19          HD23      LEU  19  12.031   2.013  11.065
  128    H    LYS  20           H        LYS  20  11.898   5.318  11.744
  129    HA   LYS  20           HA       LYS  20  10.141   7.660  12.028
  130    HB2  LYS  20           HB2      LYS  20  12.778   6.949  13.302
  131    HB3  LYS  20           HB3      LYS  20  12.125   8.581  13.353
  132    HG2  LYS  20           HG2      LYS  20  10.010   7.046  14.202
  133    HG3  LYS  20           HG3      LYS  20  11.409   6.232  14.907
  134    HD2  LYS  20           HD2      LYS  20  12.119   8.248  15.986
  135    HD3  LYS  20           HD3      LYS  20  10.899   9.196  15.132
  136    HE2  LYS  20           HE2      LYS  20   9.604   7.053  16.490
  137    HE3  LYS  20           HE3      LYS  20  10.678   7.867  17.627
  138    HZ1  LYS  20           HZ1      LYS  20   8.742   9.317  15.915
  139    HZ2  LYS  20           HZ2      LYS  20   9.607   9.920  17.237
  140    HZ3  LYS  20           HZ3      LYS  20   8.373   8.788  17.478
  141    H    CYS  21           H        CYS  21  10.758   9.659  11.155
  142    HA   CYS  21           HA       CYS  21  12.506   9.430   8.825
  143    HB2  CYS  21           HB2      CYS  21  10.370  10.343   8.300
  144    HB3  CYS  21           HB3      CYS  21  10.441  11.467   9.653
  145    H    ASP  22           H        ASP  22  14.560   9.586   9.671
  146    HA   ASP  22           HA       ASP  22  15.412  11.389  11.631
  147    HB2  ASP  22           HB2      ASP  22  16.616   9.336  10.548
  148    HB3  ASP  22           HB3      ASP  22  17.237  10.531   9.412
  149    H    SER  23           H        SER  23  14.913  13.501  11.426
  150    HA   SER  23           HA       SER  23  15.027  14.899   8.936
  151    HB2  SER  23           HB2      SER  23  14.811  15.970  11.761
  152    HB3  SER  23           HB3      SER  23  14.536  16.901  10.289
  153    HG   SER  23           HG       SER  23  12.870  15.200  11.595
  154    H    LYS  24           H        LYS  24  17.358  13.985  11.193
  155    HA   LYS  24           HA       LYS  24  19.138  16.225  10.737
  156    HB2  LYS  24           HB2      LYS  24  19.781  13.607  12.095
  157    HB3  LYS  24           HB3      LYS  24  20.645  15.132  12.247
  158    HG2  LYS  24           HG2      LYS  24  17.964  15.614  12.991
  159    HG3  LYS  24           HG3      LYS  24  18.482  14.135  13.803
  160    HD2  LYS  24           HD2      LYS  24  20.329  15.241  14.815
  161    HD3  LYS  24           HD3      LYS  24  20.103  16.675  13.811
  162    HE2  LYS  24           HE2      LYS  24  18.695  17.542  15.295
  163    HE3  LYS  24           HE3      LYS  24  17.682  16.101  15.230
  164    HZ1  LYS  24           HZ1      LYS  24  20.124  16.336  16.900
  165    HZ2  LYS  24           HZ2      LYS  24  18.992  15.080  16.923
  166    HZ3  LYS  24           HZ3      LYS  24  18.558  16.620  17.471
  167    H    ARG  25           H        ARG  25  18.933  12.806   9.833
  168    HA   ARG  25           HA       ARG  25  21.202  13.170   8.010
  169    HB2  ARG  25           HB2      ARG  25  19.796  10.633   8.867
  170    HB3  ARG  25           HB3      ARG  25  21.225  10.721   7.846
  171    HG2  ARG  25           HG2      ARG  25  21.525  12.104  10.399
  172    HG3  ARG  25           HG3      ARG  25  21.225  10.371  10.552
  173    HD2  ARG  25           HD2      ARG  25  23.267   9.855   9.810
  174    HD3  ARG  25           HD3      ARG  25  23.149  10.988   8.464
  175    HE   ARG  25           HE       ARG  25  23.579  12.367  10.902
  176   HH11  ARG  25          HH11      ARG  25  25.201  10.413   8.520
  177   HH12  ARG  25          HH12      ARG  25  26.760  11.105   8.825
  178   HH21  ARG  25          HH21      ARG  25  25.626  13.285  11.312
  179   HH22  ARG  25          HH22      ARG  25  27.001  12.737  10.414
  180    H    LYS  26           H        LYS  26  17.997  13.598   7.902
  181    HA   LYS  26           HA       LYS  26  16.386  13.580   6.290
  182    HB2  LYS  26           HB2      LYS  26  18.850  13.732   4.546
  183    HB3  LYS  26           HB3      LYS  26  17.211  13.998   3.966
  184    HG2  LYS  26           HG2      LYS  26  16.996  16.004   5.085
  185    HG3  LYS  26           HG3      LYS  26  18.260  15.607   6.252
  186    HD2  LYS  26           HD2      LYS  26  19.452  15.577   3.690
  187    HD3  LYS  26           HD3      LYS  26  18.471  17.041   3.789
  188    HE2  LYS  26           HE2      LYS  26  20.387  16.228   5.959
  189    HE3  LYS  26           HE3      LYS  26  20.881  17.212   4.582
  190    HZ1  LYS  26           HZ1      LYS  26  18.718  17.915   6.491
  191    HZ2  LYS  26           HZ2      LYS  26  19.259  18.869   5.204
  192    HZ3  LYS  26           HZ3      LYS  26  20.283  18.557   6.514
  193    H    VAL  27           H        VAL  27  16.917  11.057   7.263
  194    HA   VAL  27           HA       VAL  27  16.137   9.433   4.982
  195    HB   VAL  27           HB       VAL  27  17.747   7.613   5.641
  196   HG11  VAL  27          HG11      VAL  27  19.660   8.619   4.437
  197   HG12  VAL  27          HG12      VAL  27  18.114   8.908   3.637
  198   HG13  VAL  27          HG13      VAL  27  18.879  10.195   4.569
  199   HG21  VAL  27          HG21      VAL  27  19.396   7.907   7.169
  200   HG22  VAL  27          HG22      VAL  27  19.554   9.631   6.833
  201   HG23  VAL  27          HG23      VAL  27  18.234   9.047   7.846
  202    H    CYS  28           H        CYS  28  15.419   7.239   5.674
  203    HA   CYS  28           HA       CYS  28  13.854   7.476   8.100
  204    HB2  CYS  28           HB2      CYS  28  13.962   5.339   5.963
  205    HB3  CYS  28           HB3      CYS  28  12.871   5.299   7.344
  206    H    VAL  29           H        VAL  29  14.052   6.256   9.928
  207    HA   VAL  29           HA       VAL  29  16.191   4.250  10.033
  208    HB   VAL  29           HB       VAL  29  16.848   5.147  12.293
  209   HG11  VAL  29          HG11      VAL  29  18.272   6.931  11.374
  210   HG12  VAL  29          HG12      VAL  29  18.250   5.498  10.344
  211   HG13  VAL  29          HG13      VAL  29  17.309   6.921   9.897
  212   HG21  VAL  29          HG21      VAL  29  16.127   7.180  13.083
  213   HG22  VAL  29          HG22      VAL  29  15.693   7.774  11.480
  214   HG23  VAL  29          HG23      VAL  29  14.661   6.598  12.293
  215    H    LYS  30           H        LYS  30  16.129   3.246  12.389
  216    HA   LYS  30           HA       LYS  30  13.508   2.097  12.650
  217    HB2  LYS  30           HB2      LYS  30  15.840   0.976  12.981
  218    HB3  LYS  30           HB3      LYS  30  15.736   1.639  14.606
  219    HG2  LYS  30           HG2      LYS  30  13.343   0.471  14.487
  220    HG3  LYS  30           HG3      LYS  30  14.214  -0.561  13.350
  221    HD2  LYS  30           HD2      LYS  30  14.567  -1.634  15.374
  222    HD3  LYS  30           HD3      LYS  30  16.024  -0.650  15.207
  223    HE2  LYS  30           HE2      LYS  30  15.457   0.718  16.921
  224    HE3  LYS  30           HE3      LYS  30  13.732   0.618  16.573
  225    HZ1  LYS  30           HZ1      LYS  30  15.238  -0.818  18.481
  226    HZ2  LYS  30           HZ2      LYS  30  14.525  -1.905  17.399
  227    HZ3  LYS  30           HZ3      LYS  30  13.562  -0.802  18.245
  228    H    GLY  31           H        GLY  31  12.127   2.204  14.433
  229    HA2  GLY  31           HA2      GLY  31  12.582   4.555  16.161
  230    HA3  GLY  31           HA3      GLY  31  10.998   3.974  15.668
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   1.633   3.002   0.067
    2    HA2  GLY   1           HA2      GLY   1   1.932   0.121  -0.487
    3    HA3  GLY   1           HA3      GLY   1   1.503   1.239  -1.773
    4    H    TYR   2           H        TYR   2   4.033  -0.184  -0.006
    5    HA   TYR   2           HA       TYR   2   6.300  -0.050  -0.129
    6    HB2  TYR   2           HB2      TYR   2   5.931  -0.418  -2.509
    7    HB3  TYR   2           HB3      TYR   2   5.662   1.303  -2.759
    8    HD1  TYR   2           HD1      TYR   2   7.426   2.576  -3.534
    9    HD2  TYR   2           HD2      TYR   2   8.267  -1.006  -1.397
   10    HE1  TYR   2           HE1      TYR   2   9.828   2.892  -3.961
   11    HE2  TYR   2           HE2      TYR   2  10.671  -0.699  -1.817
   12    HH   TYR   2           HH       TYR   2  12.224   0.534  -2.811
   13    H    CYS   3           H        CYS   3   6.666   1.296   1.612
   14    HA   CYS   3           HA       CYS   3   6.780   4.181   1.108
   15    HB2  CYS   3           HB2      CYS   3   7.313   3.090   3.819
   16    HB3  CYS   3           HB3      CYS   3   6.408   4.522   3.339
   17    H    ALA   4           H        ALA   4   8.616   5.059   2.861
   18    HA   ALA   4           HA       ALA   4  11.099   4.188   1.627
   19    HB1  ALA   4           HB1      ALA   4  10.320   6.535   3.320
   20    HB2  ALA   4           HB2      ALA   4  12.015   6.147   3.021
   21    HB3  ALA   4           HB3      ALA   4  10.942   6.511   1.669
   22    H    THR   5           H        THR   5  12.069   2.478   2.506
   23    HA   THR   5           HA       THR   5  11.809   1.876   5.324
   24    HB   THR   5           HB       THR   5  13.474  -0.010   4.641
   25    HG1  THR   5           HG1      THR   5  13.934   1.043   2.574
   26   HG21  THR   5          HG21      THR   5  11.196  -0.776   3.154
   27   HG22  THR   5          HG22      THR   5  10.636   0.284   4.449
   28   HG23  THR   5          HG23      THR   5  11.576  -1.158   4.833
   29    H    LYS   6           H        LYS   6  13.932   1.098   6.426
   30    HA   LYS   6           HA       LYS   6  15.486   3.250   7.085
   31    HB2  LYS   6           HB2      LYS   6  15.466   1.177   8.377
   32    HB3  LYS   6           HB3      LYS   6  16.309   0.340   7.080
   33    HG2  LYS   6           HG2      LYS   6  17.604   2.753   8.208
   34    HG3  LYS   6           HG3      LYS   6  17.561   1.301   9.212
   35    HD2  LYS   6           HD2      LYS   6  18.376   0.936   6.392
   36    HD3  LYS   6           HD3      LYS   6  19.507   1.804   7.434
   37    HE2  LYS   6           HE2      LYS   6  20.221  -0.311   7.848
   38    HE3  LYS   6           HE3      LYS   6  18.944  -0.225   9.061
   39    HZ1  LYS   6           HZ1      LYS   6  17.695  -1.055   6.764
   40    HZ2  LYS   6           HZ2      LYS   6  18.090  -2.015   8.099
   41    HZ3  LYS   6           HZ3      LYS   6  19.150  -1.919   6.784
   42    H    GLY   7           H        GLY   7  17.186   4.313   6.248
   43    HA2  GLY   7           HA2      GLY   7  19.195   4.498   5.002
   44    HA3  GLY   7           HA3      GLY   7  18.733   3.067   4.093
   45    H    ILE   8           H        ILE   8  15.961   4.279   3.810
   46    HA   ILE   8           HA       ILE   8  16.541   5.692   1.349
   47    HB   ILE   8           HB       ILE   8  13.827   5.110   2.530
   48   HG12  ILE   8          HG12      ILE   8  15.156   3.035   2.299
   49   HG13  ILE   8          HG13      ILE   8  13.795   3.081   1.182
   50   HG21  ILE   8          HG21      ILE   8  14.829   6.007  -0.138
   51   HG22  ILE   8          HG22      ILE   8  13.327   5.092  -0.021
   52   HG23  ILE   8          HG23      ILE   8  13.489   6.631   0.825
   53   HD11  ILE   8          HD11      ILE   8  16.037   4.210  -0.128
   54   HD12  ILE   8          HD12      ILE   8  16.537   2.690   0.616
   55   HD13  ILE   8          HD13      ILE   8  15.173   2.719  -0.501
   56    H    LYS   9           H        LYS   9  16.433   7.826   1.039
   57    HA   LYS   9           HA       LYS   9  16.414   9.673   3.085
   58    HB2  LYS   9           HB2      LYS   9  15.515  10.169   0.242
   59    HB3  LYS   9           HB3      LYS   9  16.093  11.382   1.376
   60    HG2  LYS   9           HG2      LYS   9  17.980   9.202   1.002
   61    HG3  LYS   9           HG3      LYS   9  17.607  10.059  -0.495
   62    HD2  LYS   9           HD2      LYS   9  18.189  12.176   0.547
   63    HD3  LYS   9           HD3      LYS   9  18.491  11.359   2.082
   64    HE2  LYS   9           HE2      LYS   9  20.070   9.956   0.330
   65    HE3  LYS   9           HE3      LYS   9  20.184  11.603  -0.287
   66    HZ1  LYS   9           HZ1      LYS   9  20.442  11.385   2.579
   67    HZ2  LYS   9           HZ2      LYS   9  21.373  12.260   1.472
   68    HZ3  LYS   9           HZ3      LYS   9  21.676  10.614   1.716
   69    H    CYS  10           H        CYS  10  14.903  10.961   4.066
   70    HA   CYS  10           HA       CYS  10  12.082  10.377   3.444
   71    HB2  CYS  10           HB2      CYS  10  11.530  10.280   5.709
   72    HB3  CYS  10           HB3      CYS  10  13.083   9.453   5.651
   73    H    ASN  11           H        ASN  11  14.150  12.615   2.834
   74    HA   ASN  11           HA       ASN  11  13.315  14.974   4.090
   75    HB2  ASN  11           HB2      ASN  11  15.379  14.775   2.737
   76    HB3  ASN  11           HB3      ASN  11  14.395  14.654   1.281
   77   HD21  ASN  11          HD21      ASN  11  13.452  16.467   0.437
   78   HD22  ASN  11          HD22      ASN  11  13.806  18.064   0.996
   79    H    ASP  12           H        ASP  12  11.775  13.028   1.734
   80    HA   ASP  12           HA       ASP  12   9.623  15.008   1.519
   81    HB2  ASP  12           HB2      ASP  12  11.153  13.764  -0.723
   82    HB3  ASP  12           HB3      ASP  12   9.427  14.040  -0.941
   83    H    ILE  13           H        ILE  13  10.532  11.684   0.599
   84    HA   ILE  13           HA       ILE  13   7.835  10.740   0.756
   85    HB   ILE  13           HB       ILE  13   9.559   9.718  -0.724
   86   HG12  ILE  13          HG12      ILE  13   8.730   7.497   1.062
   87   HG13  ILE  13          HG13      ILE  13   7.448   8.547   0.467
   88   HG21  ILE  13          HG21      ILE  13  10.635   8.479   1.802
   89   HG22  ILE  13          HG22      ILE  13  11.241   8.264   0.161
   90   HG23  ILE  13          HG23      ILE  13  11.396   9.829   0.960
   91   HD11  ILE  13          HD11      ILE  13   9.424   7.038  -1.228
   92   HD12  ILE  13          HD12      ILE  13   7.733   6.610  -0.962
   93   HD13  ILE  13          HD13      ILE  13   8.142   8.092  -1.826
   94    H    HIS  14           H        HIS  14   6.888   9.437   2.311
   95    HA   HIS  14           HA       HIS  14   8.077   9.653   4.972
   96    HB2  HIS  14           HB2      HIS  14   5.843   9.052   5.800
   97    HB3  HIS  14           HB3      HIS  14   5.771  10.432   4.708
   98    HD1  HIS  14           HD1      HIS  14   5.015   6.731   4.789
   99    HD2  HIS  14           HD2      HIS  14   4.149  10.102   2.521
  100    HE1  HIS  14           HE1      HIS  14   3.243   6.007   3.158
  101    H    CYS  15           H        CYS  15   8.139   7.844   6.411
  102    HA   CYS  15           HA       CYS  15   8.785   5.368   5.023
  103    HB2  CYS  15           HB2      CYS  15   9.026   5.687   7.988
  104    HB3  CYS  15           HB3      CYS  15  10.047   4.782   6.875
  105    H    CYS  16           H        CYS  16   7.979   3.312   5.731
  106    HA   CYS  16           HA       CYS  16   5.183   3.251   6.057
  107    HB2  CYS  16           HB2      CYS  16   7.370   1.254   5.955
  108    HB3  CYS  16           HB3      CYS  16   5.881   0.735   6.739
  109    H    SER  17           H        SER  17   3.936   2.391   7.807
  110    HA   SER  17           HA       SER  17   4.381   3.554  10.264
  111    HB2  SER  17           HB2      SER  17   2.882   0.956  10.073
  112    HB3  SER  17           HB3      SER  17   2.512   2.382  11.043
  113    HG   SER  17           HG       SER  17   1.559   1.765   8.670
  114    H    GLY  18           H        GLY  18   6.055   3.262  11.580
  115    HA2  GLY  18           HA2      GLY  18   6.766   1.524  13.298
  116    HA3  GLY  18           HA3      GLY  18   7.129   0.531  11.895
  117    H    LEU  19           H        LEU  19   7.968   3.197  10.566
  118    HA   LEU  19           HA       LEU  19  10.675   3.219  11.725
  119    HB2  LEU  19           HB2      LEU  19   9.753   3.741   8.906
  120    HB3  LEU  19           HB3      LEU  19  11.402   4.001   9.470
  121    HG   LEU  19           HG       LEU  19  10.015   1.323   9.506
  122   HD11  LEU  19          HD11      LEU  19  10.249   2.140   7.210
  123   HD12  LEU  19          HD12      LEU  19  11.322   0.779   7.531
  124   HD13  LEU  19          HD13      LEU  19  11.969   2.419   7.487
  125   HD21  LEU  19          HD21      LEU  19  12.013   1.911  11.050
  126   HD22  LEU  19          HD22      LEU  19  12.965   1.816   9.568
  127   HD23  LEU  19          HD23      LEU  19  12.051   0.412  10.122
  128    H    LYS  20           H        LYS  20  11.831   5.234  11.722
  129    HA   LYS  20           HA       LYS  20  10.029   7.546  11.974
  130    HB2  LYS  20           HB2      LYS  20  12.500   6.701  13.411
  131    HB3  LYS  20           HB3      LYS  20  12.205   8.425  13.227
  132    HG2  LYS  20           HG2      LYS  20   9.785   7.594  14.102
  133    HG3  LYS  20           HG3      LYS  20  10.848   6.442  14.913
  134    HD2  LYS  20           HD2      LYS  20  12.003   8.134  16.050
  135    HD3  LYS  20           HD3      LYS  20  11.404   9.392  14.966
  136    HE2  LYS  20           HE2      LYS  20   9.098   8.308  16.016
  137    HE3  LYS  20           HE3      LYS  20  10.215   8.277  17.380
  138    HZ1  LYS  20           HZ1      LYS  20  10.087  10.471  17.597
  139    HZ2  LYS  20           HZ2      LYS  20   8.769  10.428  16.539
  140    HZ3  LYS  20           HZ3      LYS  20  10.320  10.747  15.944
  141    H    CYS  21           H        CYS  21  10.632   9.556  11.114
  142    HA   CYS  21           HA       CYS  21  12.418   9.352   8.811
  143    HB2  CYS  21           HB2      CYS  21  10.275  10.236   8.256
  144    HB3  CYS  21           HB3      CYS  21  10.315  11.363   9.608
  145    H    ASP  22           H        ASP  22  14.455   9.531   9.699
  146    HA   ASP  22           HA       ASP  22  15.252  11.349  11.668
  147    HB2  ASP  22           HB2      ASP  22  16.489   9.305  10.532
  148    HB3  ASP  22           HB3      ASP  22  17.164  10.570   9.508
  149    H    SER  23           H        SER  23  14.734  13.454  11.455
  150    HA   SER  23           HA       SER  23  14.868  14.851   8.964
  151    HB2  SER  23           HB2      SER  23  13.325  15.385  10.925
  152    HB3  SER  23           HB3      SER  23  14.728  16.117  11.703
  153    HG   SER  23           HG       SER  23  13.138  17.110   9.756
  154    H    LYS  24           H        LYS  24  17.174  13.969  11.260
  155    HA   LYS  24           HA       LYS  24  18.932  16.232  10.830
  156    HB2  LYS  24           HB2      LYS  24  19.257  13.643  12.350
  157    HB3  LYS  24           HB3      LYS  24  20.531  14.847  12.215
  158    HG2  LYS  24           HG2      LYS  24  17.827  15.583  13.265
  159    HG3  LYS  24           HG3      LYS  24  19.045  14.848  14.309
  160    HD2  LYS  24           HD2      LYS  24  20.277  16.939  12.822
  161    HD3  LYS  24           HD3      LYS  24  18.789  17.565  13.534
  162    HE2  LYS  24           HE2      LYS  24  19.567  17.378  15.650
  163    HE3  LYS  24           HE3      LYS  24  20.471  15.905  15.300
  164    HZ1  LYS  24           HZ1      LYS  24  21.316  18.679  15.148
  165    HZ2  LYS  24           HZ2      LYS  24  21.862  17.681  13.895
  166    HZ3  LYS  24           HZ3      LYS  24  22.215  17.290  15.503
  167    H    ARG  25           H        ARG  25  18.784  12.810   9.927
  168    HA   ARG  25           HA       ARG  25  21.078  13.200   8.141
  169    HB2  ARG  25           HB2      ARG  25  19.698  10.678   9.076
  170    HB3  ARG  25           HB3      ARG  25  21.046  10.715   7.947
  171    HG2  ARG  25           HG2      ARG  25  22.306  11.962   9.801
  172    HG3  ARG  25           HG3      ARG  25  21.021  11.386  10.864
  173    HD2  ARG  25           HD2      ARG  25  22.444   9.638  11.105
  174    HD3  ARG  25           HD3      ARG  25  21.615   9.087   9.650
  175    HE   ARG  25           HE       ARG  25  23.919  10.692   9.085
  176   HH11  ARG  25          HH11      ARG  25  22.818   7.482   9.863
  177   HH12  ARG  25          HH12      ARG  25  24.179   6.697   9.134
  178   HH21  ARG  25          HH21      ARG  25  25.716   9.670   8.121
  179   HH22  ARG  25          HH22      ARG  25  25.828   7.943   8.144
  180    H    LYS  26           H        LYS  26  17.869  13.584   7.981
  181    HA   LYS  26           HA       LYS  26  16.285  13.544   6.343
  182    HB2  LYS  26           HB2      LYS  26  18.761  13.706   4.616
  183    HB3  LYS  26           HB3      LYS  26  17.123  13.996   4.045
  184    HG2  LYS  26           HG2      LYS  26  16.954  15.841   5.725
  185    HG3  LYS  26           HG3      LYS  26  18.674  15.613   6.051
  186    HD2  LYS  26           HD2      LYS  26  17.857  15.943   3.219
  187    HD3  LYS  26           HD3      LYS  26  17.772  17.368   4.257
  188    HE2  LYS  26           HE2      LYS  26  19.930  17.587   3.609
  189    HE3  LYS  26           HE3      LYS  26  20.196  16.474   4.950
  190    HZ1  LYS  26           HZ1      LYS  26  21.361  15.763   2.956
  191    HZ2  LYS  26           HZ2      LYS  26  19.906  15.700   2.097
  192    HZ3  LYS  26           HZ3      LYS  26  20.173  14.636   3.385
  193    H    VAL  27           H        VAL  27  16.832  11.029   7.327
  194    HA   VAL  27           HA       VAL  27  16.112   9.393   5.037
  195    HB   VAL  27           HB       VAL  27  17.734   7.596   5.719
  196   HG11  VAL  27          HG11      VAL  27  19.656   8.630   4.554
  197   HG12  VAL  27          HG12      VAL  27  18.122   8.900   3.726
  198   HG13  VAL  27          HG13      VAL  27  18.853  10.195   4.675
  199   HG21  VAL  27          HG21      VAL  27  19.490   9.633   6.950
  200   HG22  VAL  27          HG22      VAL  27  18.161   9.027   7.938
  201   HG23  VAL  27          HG23      VAL  27  19.352   7.906   7.279
  202    H    CYS  28           H        CYS  28  15.418   7.186   5.723
  203    HA   CYS  28           HA       CYS  28  13.809   7.406   8.121
  204    HB2  CYS  28           HB2      CYS  28  13.980   5.265   5.992
  205    HB3  CYS  28           HB3      CYS  28  12.864   5.219   7.353
  206    H    VAL  29           H        VAL  29  14.017   6.222   9.964
  207    HA   VAL  29           HA       VAL  29  16.186   4.245  10.103
  208    HB   VAL  29           HB       VAL  29  16.834   5.130  12.333
  209   HG11  VAL  29          HG11      VAL  29  18.141   5.687  10.355
  210   HG12  VAL  29          HG12      VAL  29  17.103   7.080  10.047
  211   HG13  VAL  29          HG13      VAL  29  18.118   7.037  11.489
  212   HG21  VAL  29          HG21      VAL  29  15.874   6.920  13.316
  213   HG22  VAL  29          HG22      VAL  29  15.619   7.759  11.785
  214   HG23  VAL  29          HG23      VAL  29  14.505   6.489  12.290
  215    H    LYS  30           H        LYS  30  16.085   3.034  12.252
  216    HA   LYS  30           HA       LYS  30  13.404   2.026  12.558
  217    HB2  LYS  30           HB2      LYS  30  15.368   0.525  12.525
  218    HB3  LYS  30           HB3      LYS  30  15.941   1.262  14.016
  219    HG2  LYS  30           HG2      LYS  30  14.306   0.267  15.296
  220    HG3  LYS  30           HG3      LYS  30  13.218   0.047  13.924
  221    HD2  LYS  30           HD2      LYS  30  14.021  -2.107  14.433
  222    HD3  LYS  30           HD3      LYS  30  14.943  -1.591  13.019
  223    HE2  LYS  30           HE2      LYS  30  16.487  -2.578  14.529
  224    HE3  LYS  30           HE3      LYS  30  16.745  -0.835  14.598
  225    HZ1  LYS  30           HZ1      LYS  30  15.064  -1.012  16.563
  226    HZ2  LYS  30           HZ2      LYS  30  16.700  -1.364  16.806
  227    HZ3  LYS  30           HZ3      LYS  30  15.584  -2.621  16.615
  228    H    GLY  31           H        GLY  31  12.024   3.225  13.721
  229    HA2  GLY  31           HA2      GLY  31  11.137   4.432  15.463
  230    HA3  GLY  31           HA3      GLY  31  12.144   3.412  16.479
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.678   0.707  -2.441
    2    HA2  GLY   1           HA2      GLY   1   1.513   2.199  -0.070
    3    HA3  GLY   1           HA3      GLY   1   2.042   0.575   0.344
    4    H    TYR   2           H        TYR   2   4.131   0.021   0.045
    5    HA   TYR   2           HA       TYR   2   6.365   0.276  -0.300
    6    HB2  TYR   2           HB2      TYR   2   5.819   0.056  -2.638
    7    HB3  TYR   2           HB3      TYR   2   5.336   1.746  -2.733
    8    HD1  TYR   2           HD1      TYR   2   6.863   3.314  -3.499
    9    HD2  TYR   2           HD2      TYR   2   8.304  -0.372  -1.936
   10    HE1  TYR   2           HE1      TYR   2   9.149   3.934  -4.161
   11    HE2  TYR   2           HE2      TYR   2  10.594   0.238  -2.593
   12    HH   TYR   2           HH       TYR   2  11.259   3.015  -4.573
   13    H    CYS   3           H        CYS   3   6.647   1.537   1.583
   14    HA   CYS   3           HA       CYS   3   6.762   4.442   1.206
   15    HB2  CYS   3           HB2      CYS   3   7.300   3.232   3.865
   16    HB3  CYS   3           HB3      CYS   3   6.396   4.685   3.451
   17    H    ALA   4           H        ALA   4   8.603   5.214   3.027
   18    HA   ALA   4           HA       ALA   4  11.083   4.418   1.734
   19    HB1  ALA   4           HB1      ALA   4  10.932   6.733   1.908
   20    HB2  ALA   4           HB2      ALA   4  10.307   6.666   3.556
   21    HB3  ALA   4           HB3      ALA   4  12.001   6.292   3.240
   22    H    THR   5           H        THR   5  12.036   2.648   2.512
   23    HA   THR   5           HA       THR   5  11.792   1.900   5.295
   24    HB   THR   5           HB       THR   5  13.427   0.033   4.503
   25    HG1  THR   5           HG1      THR   5  13.219  -0.287   2.195
   26   HG21  THR   5          HG21      THR   5  11.136  -0.627   2.987
   27   HG22  THR   5          HG22      THR   5  10.591   0.373   4.334
   28   HG23  THR   5          HG23      THR   5  11.513  -1.097   4.644
   29    H    LYS   6           H        LYS   6  13.900   1.062   6.357
   30    HA   LYS   6           HA       LYS   6  15.491   3.165   7.089
   31    HB2  LYS   6           HB2      LYS   6  15.434   1.048   8.308
   32    HB3  LYS   6           HB3      LYS   6  16.265   0.243   6.983
   33    HG2  LYS   6           HG2      LYS   6  18.286   1.281   7.449
   34    HG3  LYS   6           HG3      LYS   6  17.519   2.578   8.370
   35    HD2  LYS   6           HD2      LYS   6  16.769   0.511   9.878
   36    HD3  LYS   6           HD3      LYS   6  18.246  -0.177   9.198
   37    HE2  LYS   6           HE2      LYS   6  18.218   2.565  10.413
   38    HE3  LYS   6           HE3      LYS   6  18.400   1.126  11.415
   39    HZ1  LYS   6           HZ1      LYS   6  20.221   0.644   9.548
   40    HZ2  LYS   6           HZ2      LYS   6  20.566   1.477  10.979
   41    HZ3  LYS   6           HZ3      LYS   6  20.272   2.336   9.551
   42    H    GLY   7           H        GLY   7  17.222   4.216   6.297
   43    HA2  GLY   7           HA2      GLY   7  19.196   4.473   5.038
   44    HA3  GLY   7           HA3      GLY   7  18.788   3.017   4.143
   45    H    ILE   8           H        ILE   8  15.978   4.209   3.858
   46    HA   ILE   8           HA       ILE   8  16.538   5.553   1.353
   47    HB   ILE   8           HB       ILE   8  13.838   4.992   2.577
   48   HG12  ILE   8          HG12      ILE   8  15.170   2.917   2.362
   49   HG13  ILE   8          HG13      ILE   8  13.796   2.941   1.262
   50   HG21  ILE   8          HG21      ILE   8  13.312   4.926   0.026
   51   HG22  ILE   8          HG22      ILE   8  13.458   6.475   0.854
   52   HG23  ILE   8          HG23      ILE   8  14.800   5.863  -0.112
   53   HD11  ILE   8          HD11      ILE   8  15.145   2.583  -0.446
   54   HD12  ILE   8          HD12      ILE   8  16.043   4.055  -0.073
   55   HD13  ILE   8          HD13      ILE   8  16.515   2.523   0.662
   56    H    LYS   9           H        LYS   9  16.568   7.679   1.064
   57    HA   LYS   9           HA       LYS   9  16.453   9.552   3.087
   58    HB2  LYS   9           HB2      LYS   9  15.885   9.926   0.142
   59    HB3  LYS   9           HB3      LYS   9  16.166  11.241   1.275
   60    HG2  LYS   9           HG2      LYS   9  18.238   9.154   1.221
   61    HG3  LYS   9           HG3      LYS   9  18.081  10.119  -0.249
   62    HD2  LYS   9           HD2      LYS   9  17.950  11.998   1.769
   63    HD3  LYS   9           HD3      LYS   9  19.152  10.847   2.359
   64    HE2  LYS   9           HE2      LYS   9  20.600  11.265   0.626
   65    HE3  LYS   9           HE3      LYS   9  19.314  11.770  -0.469
   66    HZ1  LYS   9           HZ1      LYS   9  20.695  13.316   1.611
   67    HZ2  LYS   9           HZ2      LYS   9  19.101  13.721   1.215
   68    HZ3  LYS   9           HZ3      LYS   9  20.304  13.758   0.025
   69    H    CYS  10           H        CYS  10  14.910  10.936   3.899
   70    HA   CYS  10           HA       CYS  10  12.129  10.418   3.075
   71    HB2  CYS  10           HB2      CYS  10  11.395  10.460   5.330
   72    HB3  CYS  10           HB3      CYS  10  12.805   9.406   5.307
   73    H    ASN  11           H        ASN  11  14.104  12.541   2.353
   74    HA   ASN  11           HA       ASN  11  13.594  14.964   3.606
   75    HB2  ASN  11           HB2      ASN  11  14.112  14.500   0.659
   76    HB3  ASN  11           HB3      ASN  11  14.320  16.024   1.515
   77   HD21  ASN  11          HD21      ASN  11  16.349  16.462   1.929
   78   HD22  ASN  11          HD22      ASN  11  17.588  15.319   2.304
   79    H    ASP  12           H        ASP  12  11.600  13.107   1.475
   80    HA   ASP  12           HA       ASP  12   9.478  15.102   1.764
   81    HB2  ASP  12           HB2      ASP  12  10.745  15.198  -0.524
   82    HB3  ASP  12           HB3      ASP  12   9.820  13.743  -0.887
   83    H    ILE  13           H        ILE  13  10.355  11.833   0.708
   84    HA   ILE  13           HA       ILE  13   7.673  10.840   0.949
   85    HB   ILE  13           HB       ILE  13   9.362   9.871  -0.616
   86   HG12  ILE  13          HG12      ILE  13   8.728   7.522   0.996
   87   HG13  ILE  13          HG13      ILE  13   7.359   8.616   0.833
   88   HG21  ILE  13          HG21      ILE  13  10.546   8.691   1.894
   89   HG22  ILE  13          HG22      ILE  13  11.045   8.345   0.239
   90   HG23  ILE  13          HG23      ILE  13  11.283   9.957   0.913
   91   HD11  ILE  13          HD11      ILE  13   7.312   6.946  -0.904
   92   HD12  ILE  13          HD12      ILE  13   7.619   8.535  -1.607
   93   HD13  ILE  13          HD13      ILE  13   8.943   7.387  -1.410
   94    H    HIS  14           H        HIS  14   6.804   9.552   2.546
   95    HA   HIS  14           HA       HIS  14   8.137   9.729   5.141
   96    HB2  HIS  14           HB2      HIS  14   5.626  10.346   4.566
   97    HB3  HIS  14           HB3      HIS  14   5.381   8.622   4.828
   98    HD1  HIS  14           HD1      HIS  14   4.387   8.405   7.081
   99    HD2  HIS  14           HD2      HIS  14   7.493  11.163   7.019
  100    HE1  HIS  14           HE1      HIS  14   4.687   9.133   9.469
  101    H    CYS  15           H        CYS  15   8.148   7.883   6.585
  102    HA   CYS  15           HA       CYS  15   8.793   5.437   5.143
  103    HB2  CYS  15           HB2      CYS  15   9.021   5.690   8.115
  104    HB3  CYS  15           HB3      CYS  15  10.043   4.803   6.988
  105    H    CYS  16           H        CYS  16   7.972   3.370   5.785
  106    HA   CYS  16           HA       CYS  16   5.174   3.319   6.114
  107    HB2  CYS  16           HB2      CYS  16   7.346   1.310   5.935
  108    HB3  CYS  16           HB3      CYS  16   5.852   0.776   6.700
  109    H    SER  17           H        SER  17   3.935   2.373   7.836
  110    HA   SER  17           HA       SER  17   4.378   3.456  10.329
  111    HB2  SER  17           HB2      SER  17   2.848   0.902   9.780
  112    HB3  SER  17           HB3      SER  17   2.629   1.986  11.154
  113    HG   SER  17           HG       SER  17   1.523   3.319   9.937
  114    H    GLY  18           H        GLY  18   6.156   3.153  11.517
  115    HA2  GLY  18           HA2      GLY  18   6.884   1.393  13.221
  116    HA3  GLY  18           HA3      GLY  18   7.196   0.408  11.800
  117    H    LEU  19           H        LEU  19   7.967   3.222  10.594
  118    HA   LEU  19           HA       LEU  19  10.712   3.200  11.665
  119    HB2  LEU  19           HB2      LEU  19   9.785   3.647   8.833
  120    HB3  LEU  19           HB3      LEU  19  11.438   3.900   9.391
  121    HG   LEU  19           HG       LEU  19  10.013   1.244   9.481
  122   HD11  LEU  19          HD11      LEU  19  11.985   2.288   7.454
  123   HD12  LEU  19          HD12      LEU  19  10.273   1.977   7.172
  124   HD13  LEU  19          HD13      LEU  19  11.363   0.640   7.539
  125   HD21  LEU  19          HD21      LEU  19  11.966   1.779  11.056
  126   HD22  LEU  19          HD22      LEU  19  12.967   1.752   9.604
  127   HD23  LEU  19          HD23      LEU  19  12.067   0.312  10.082
  128    H    LYS  20           H        LYS  20  11.796   5.182  11.821
  129    HA   LYS  20           HA       LYS  20  10.006   7.509  11.890
  130    HB2  LYS  20           HB2      LYS  20  11.601   8.502  13.442
  131    HB3  LYS  20           HB3      LYS  20  11.104   6.913  14.010
  132    HG2  LYS  20           HG2      LYS  20  13.162   5.979  13.629
  133    HG3  LYS  20           HG3      LYS  20  13.581   7.148  12.375
  134    HD2  LYS  20           HD2      LYS  20  14.902   7.524  14.390
  135    HD3  LYS  20           HD3      LYS  20  13.824   8.888  14.082
  136    HE2  LYS  20           HE2      LYS  20  12.735   8.587  16.009
  137    HE3  LYS  20           HE3      LYS  20  12.597   6.849  15.752
  138    HZ1  LYS  20           HZ1      LYS  20  15.220   7.899  16.495
  139    HZ2  LYS  20           HZ2      LYS  20  14.488   6.432  16.907
  140    HZ3  LYS  20           HZ3      LYS  20  14.032   7.855  17.699
  141    H    CYS  21           H        CYS  21  10.595   9.470  10.957
  142    HA   CYS  21           HA       CYS  21  12.516   9.227   8.771
  143    HB2  CYS  21           HB2      CYS  21  10.415  10.049   8.041
  144    HB3  CYS  21           HB3      CYS  21  10.310  11.190   9.378
  145    H    ASP  22           H        ASP  22  14.512   9.519   9.674
  146    HA   ASP  22           HA       ASP  22  15.165  11.406  11.647
  147    HB2  ASP  22           HB2      ASP  22  16.502   9.357  10.636
  148    HB3  ASP  22           HB3      ASP  22  17.200  10.608   9.610
  149    H    SER  23           H        SER  23  14.637  13.494  11.352
  150    HA   SER  23           HA       SER  23  14.821  14.817   8.828
  151    HB2  SER  23           HB2      SER  23  14.463  16.895  10.335
  152    HB3  SER  23           HB3      SER  23  13.170  15.700  10.240
  153    HG   SER  23           HG       SER  23  14.885  16.313  12.348
  154    H    LYS  24           H        LYS  24  17.089  14.026  11.189
  155    HA   LYS  24           HA       LYS  24  18.831  16.295  10.743
  156    HB2  LYS  24           HB2      LYS  24  19.319  13.710  12.236
  157    HB3  LYS  24           HB3      LYS  24  20.385  15.109  12.240
  158    HG2  LYS  24           HG2      LYS  24  18.109  16.279  13.043
  159    HG3  LYS  24           HG3      LYS  24  17.851  14.650  13.672
  160    HD2  LYS  24           HD2      LYS  24  19.265  15.029  15.347
  161    HD3  LYS  24           HD3      LYS  24  20.541  15.479  14.213
  162    HE2  LYS  24           HE2      LYS  24  18.355  17.374  15.036
  163    HE3  LYS  24           HE3      LYS  24  19.870  17.227  15.926
  164    HZ1  LYS  24           HZ1      LYS  24  19.370  18.364  13.282
  165    HZ2  LYS  24           HZ2      LYS  24  20.845  17.571  13.518
  166    HZ3  LYS  24           HZ3      LYS  24  20.423  18.883  14.500
  167    H    ARG  25           H        ARG  25  18.742  12.855   9.898
  168    HA   ARG  25           HA       ARG  25  21.052  13.248   8.134
  169    HB2  ARG  25           HB2      ARG  25  19.699  10.683   8.993
  170    HB3  ARG  25           HB3      ARG  25  21.167  10.804   8.031
  171    HG2  ARG  25           HG2      ARG  25  21.057  12.062  10.735
  172    HG3  ARG  25           HG3      ARG  25  21.317  10.324  10.575
  173    HD2  ARG  25           HD2      ARG  25  23.468  10.712  10.189
  174    HD3  ARG  25           HD3      ARG  25  23.023  11.573   8.716
  175    HE   ARG  25           HE       ARG  25  23.595  13.509   9.764
  176   HH11  ARG  25          HH11      ARG  25  22.854  11.126  12.190
  177   HH12  ARG  25          HH12      ARG  25  23.281  12.154  13.518
  178   HH21  ARG  25          HH21      ARG  25  24.160  14.873  11.503
  179   HH22  ARG  25          HH22      ARG  25  24.023  14.286  13.125
  180    H    LYS  26           H        LYS  26  17.847  13.589   7.922
  181    HA   LYS  26           HA       LYS  26  16.286  13.496   6.265
  182    HB2  LYS  26           HB2      LYS  26  18.617  13.462   4.355
  183    HB3  LYS  26           HB3      LYS  26  17.017  14.143   4.097
  184    HG2  LYS  26           HG2      LYS  26  17.894  16.102   4.656
  185    HG3  LYS  26           HG3      LYS  26  17.958  15.498   6.314
  186    HD2  LYS  26           HD2      LYS  26  20.219  14.420   5.408
  187    HD3  LYS  26           HD3      LYS  26  20.125  15.797   4.308
  188    HE2  LYS  26           HE2      LYS  26  19.558  16.512   7.073
  189    HE3  LYS  26           HE3      LYS  26  21.165  15.818   6.862
  190    HZ1  LYS  26           HZ1      LYS  26  21.336  17.461   4.920
  191    HZ2  LYS  26           HZ2      LYS  26  21.493  18.063   6.492
  192    HZ3  LYS  26           HZ3      LYS  26  20.037  18.259   5.653
  193    H    VAL  27           H        VAL  27  16.904  11.003   7.328
  194    HA   VAL  27           HA       VAL  27  16.167   9.301   5.092
  195    HB   VAL  27           HB       VAL  27  17.838   7.554   5.754
  196   HG11  VAL  27          HG11      VAL  27  19.727   8.617   4.560
  197   HG12  VAL  27          HG12      VAL  27  18.177   8.854   3.750
  198   HG13  VAL  27          HG13      VAL  27  18.896  10.167   4.684
  199   HG21  VAL  27          HG21      VAL  27  18.271   9.030   7.954
  200   HG22  VAL  27          HG22      VAL  27  19.449   7.888   7.308
  201   HG23  VAL  27          HG23      VAL  27  19.596   9.607   6.944
  202    H    CYS  28           H        CYS  28  15.506   7.112   5.833
  203    HA   CYS  28           HA       CYS  28  13.990   7.352   8.294
  204    HB2  CYS  28           HB2      CYS  28  14.050   5.217   6.154
  205    HB3  CYS  28           HB3      CYS  28  13.000   5.168   7.566
  206    H    VAL  29           H        VAL  29  14.173   6.026  10.080
  207    HA   VAL  29           HA       VAL  29  16.229   3.972  10.142
  208    HB   VAL  29           HB       VAL  29  17.365   4.890  12.098
  209   HG11  VAL  29          HG11      VAL  29  17.298   6.905   9.855
  210   HG12  VAL  29          HG12      VAL  29  18.615   6.637  10.999
  211   HG13  VAL  29          HG13      VAL  29  18.199   5.390   9.823
  212   HG21  VAL  29          HG21      VAL  29  15.569   6.180  13.068
  213   HG22  VAL  29          HG22      VAL  29  16.955   7.231  12.780
  214   HG23  VAL  29          HG23      VAL  29  15.570   7.280  11.689
  215    H    LYS  30           H        LYS  30  16.225   2.781  12.223
  216    HA   LYS  30           HA       LYS  30  13.583   2.094  12.972
  217    HB2  LYS  30           HB2      LYS  30  15.833   0.724  13.043
  218    HB3  LYS  30           HB3      LYS  30  15.929   1.366  14.677
  219    HG2  LYS  30           HG2      LYS  30  14.228   0.084  15.431
  220    HG3  LYS  30           HG3      LYS  30  13.359   0.139  13.895
  221    HD2  LYS  30           HD2      LYS  30  15.909  -1.286  13.754
  222    HD3  LYS  30           HD3      LYS  30  14.748  -2.018  14.864
  223    HE2  LYS  30           HE2      LYS  30  14.286  -3.037  12.818
  224    HE3  LYS  30           HE3      LYS  30  13.063  -1.774  12.944
  225    HZ1  LYS  30           HZ1      LYS  30  15.533  -1.003  11.634
  226    HZ2  LYS  30           HZ2      LYS  30  13.932  -0.641  11.227
  227    HZ3  LYS  30           HZ3      LYS  30  14.596  -2.137  10.799
  228    H    GLY  31           H        GLY  31  12.291   2.891  14.504
  229    HA2  GLY  31           HA2      GLY  31  12.675   3.619  17.031
  230    HA3  GLY  31           HA3      GLY  31  13.309   5.032  16.201
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   1.023   1.101   1.431
    2    HA2  GLY   1           HA2      GLY   1   1.801   0.294  -0.631
    3    HA3  GLY   1           HA3      GLY   1   1.288   1.919  -1.060
    4    H    TYR   2           H        TYR   2   4.059  -0.033  -0.085
    5    HA   TYR   2           HA       TYR   2   6.298   0.210  -0.417
    6    HB2  TYR   2           HB2      TYR   2   5.719   0.001  -2.747
    7    HB3  TYR   2           HB3      TYR   2   5.258   1.698  -2.834
    8    HD1  TYR   2           HD1      TYR   2   6.736   2.972  -4.049
    9    HD2  TYR   2           HD2      TYR   2   8.268  -0.190  -1.649
   10    HE1  TYR   2           HE1      TYR   2   9.021   3.560  -4.743
   11    HE2  TYR   2           HE2      TYR   2  10.557   0.391  -2.335
   12    HH   TYR   2           HH       TYR   2  11.837   1.838  -3.442
   13    H    CYS   3           H        CYS   3   6.630   1.463   1.462
   14    HA   CYS   3           HA       CYS   3   6.781   4.367   1.089
   15    HB2  CYS   3           HB2      CYS   3   7.342   3.142   3.737
   16    HB3  CYS   3           HB3      CYS   3   6.456   4.610   3.340
   17    H    ALA   4           H        ALA   4   8.662   5.107   2.882
   18    HA   ALA   4           HA       ALA   4  11.112   4.232   1.568
   19    HB1  ALA   4           HB1      ALA   4  12.079   6.155   2.986
   20    HB2  ALA   4           HB2      ALA   4  11.014   6.553   1.637
   21    HB3  ALA   4           HB3      ALA   4  10.393   6.577   3.287
   22    H    THR   5           H        THR   5  12.083   2.509   2.416
   23    HA   THR   5           HA       THR   5  11.829   1.859   5.222
   24    HB   THR   5           HB       THR   5  13.478  -0.026   4.506
   25    HG1  THR   5           HG1      THR   5  13.607  -0.369   2.318
   26   HG21  THR   5          HG21      THR   5  10.642   0.294   4.303
   27   HG22  THR   5          HG22      THR   5  11.568  -1.161   4.668
   28   HG23  THR   5          HG23      THR   5  11.202  -0.745   2.994
   29    H    LYS   6           H        LYS   6  13.953   1.046   6.302
   30    HA   LYS   6           HA       LYS   6  15.518   3.175   7.004
   31    HB2  LYS   6           HB2      LYS   6  15.408   0.880   8.089
   32    HB3  LYS   6           HB3      LYS   6  16.577   0.352   6.885
   33    HG2  LYS   6           HG2      LYS   6  18.222   1.871   7.713
   34    HG3  LYS   6           HG3      LYS   6  17.048   2.636   8.787
   35    HD2  LYS   6           HD2      LYS   6  17.833   1.234  10.348
   36    HD3  LYS   6           HD3      LYS   6  16.887  -0.002   9.516
   37    HE2  LYS   6           HE2      LYS   6  19.155   0.010   8.028
   38    HE3  LYS   6           HE3      LYS   6  19.797   0.411   9.620
   39    HZ1  LYS   6           HZ1      LYS   6  18.656  -2.069   8.658
   40    HZ2  LYS   6           HZ2      LYS   6  18.150  -1.612  10.206
   41    HZ3  LYS   6           HZ3      LYS   6  19.798  -1.803   9.878
   42    H    GLY   7           H        GLY   7  17.186   4.273   6.162
   43    HA2  GLY   7           HA2      GLY   7  19.191   4.497   4.915
   44    HA3  GLY   7           HA3      GLY   7  18.745   3.070   3.991
   45    H    ILE   8           H        ILE   8  15.956   4.269   3.741
   46    HA   ILE   8           HA       ILE   8  16.510   5.702   1.286
   47    HB   ILE   8           HB       ILE   8  13.819   5.072   2.499
   48   HG12  ILE   8          HG12      ILE   8  15.169   3.025   2.160
   49   HG13  ILE   8          HG13      ILE   8  13.782   3.093   1.079
   50   HG21  ILE   8          HG21      ILE   8  13.207   5.165   0.002
   51   HG22  ILE   8          HG22      ILE   8  13.479   6.684   0.855
   52   HG23  ILE   8          HG23      ILE   8  14.736   6.023  -0.190
   53   HD11  ILE   8          HD11      ILE   8  16.046   4.294  -0.187
   54   HD12  ILE   8          HD12      ILE   8  16.468   2.689   0.410
   55   HD13  ILE   8          HD13      ILE   8  15.098   2.892  -0.682
   56    H    LYS   9           H        LYS   9  16.437   7.837   1.014
   57    HA   LYS   9           HA       LYS   9  16.400   9.661   3.081
   58    HB2  LYS   9           HB2      LYS   9  15.501  10.243   0.255
   59    HB3  LYS   9           HB3      LYS   9  16.175  11.388   1.408
   60    HG2  LYS   9           HG2      LYS   9  18.006   9.227   1.071
   61    HG3  LYS   9           HG3      LYS   9  17.533   9.844  -0.514
   62    HD2  LYS   9           HD2      LYS   9  18.014  12.161   0.407
   63    HD3  LYS   9           HD3      LYS   9  18.776  11.350   1.777
   64    HE2  LYS   9           HE2      LYS   9  20.024  10.058  -0.178
   65    HE3  LYS   9           HE3      LYS   9  19.651  11.542  -1.055
   66    HZ1  LYS   9           HZ1      LYS   9  21.435  12.413  -0.101
   67    HZ2  LYS   9           HZ2      LYS   9  21.638  11.080   0.920
   68    HZ3  LYS   9           HZ3      LYS   9  20.627  12.354   1.384
   69    H    CYS  10           H        CYS  10  14.881  10.973   4.032
   70    HA   CYS  10           HA       CYS  10  12.066  10.392   3.381
   71    HB2  CYS  10           HB2      CYS  10  11.487  10.306   5.642
   72    HB3  CYS  10           HB3      CYS  10  13.034   9.466   5.598
   73    H    ASN  11           H        ASN  11  14.137  12.622   2.779
   74    HA   ASN  11           HA       ASN  11  13.299  14.987   4.027
   75    HB2  ASN  11           HB2      ASN  11  15.342  15.059   2.829
   76    HB3  ASN  11           HB3      ASN  11  14.592  14.446   1.358
   77   HD21  ASN  11          HD21      ASN  11  14.242  15.896  -0.146
   78   HD22  ASN  11          HD22      ASN  11  13.996  17.588   0.102
   79    H    ASP  12           H        ASP  12  11.771  13.036   1.669
   80    HA   ASP  12           HA       ASP  12   9.626  15.020   1.429
   81    HB2  ASP  12           HB2      ASP  12  11.181  15.013  -0.610
   82    HB3  ASP  12           HB3      ASP  12  10.527  13.414  -0.957
   83    H    ILE  13           H        ILE  13  10.543  11.694   0.525
   84    HA   ILE  13           HA       ILE  13   7.843  10.752   0.652
   85    HB   ILE  13           HB       ILE  13   9.572   9.722  -0.807
   86   HG12  ILE  13          HG12      ILE  13   8.913   7.381  -0.350
   87   HG13  ILE  13          HG13      ILE  13   8.302   7.873   1.225
   88   HG21  ILE  13          HG21      ILE  13  11.258   8.280   0.094
   89   HG22  ILE  13          HG22      ILE  13  11.406   9.855   0.872
   90   HG23  ILE  13          HG23      ILE  13  10.651   8.515   1.733
   91   HD11  ILE  13          HD11      ILE  13   7.151   9.479  -0.866
   92   HD12  ILE  13          HD12      ILE  13   6.896   7.760  -1.166
   93   HD13  ILE  13          HD13      ILE  13   6.362   8.478   0.353
   94    H    HIS  14           H        HIS  14   6.887   9.429   2.192
   95    HA   HIS  14           HA       HIS  14   8.029   9.671   4.871
   96    HB2  HIS  14           HB2      HIS  14   5.783   9.016   5.656
   97    HB3  HIS  14           HB3      HIS  14   5.723  10.417   4.591
   98    HD1  HIS  14           HD1      HIS  14   4.956   6.723   4.616
   99    HD2  HIS  14           HD2      HIS  14   4.189  10.106   2.329
  100    HE1  HIS  14           HE1      HIS  14   3.235   6.016   2.924
  101    H    CYS  15           H        CYS  15   8.144   7.878   6.306
  102    HA   CYS  15           HA       CYS  15   8.811   5.398   4.936
  103    HB2  CYS  15           HB2      CYS  15   9.066   5.759   7.897
  104    HB3  CYS  15           HB3      CYS  15  10.084   4.839   6.794
  105    H    CYS  16           H        CYS  16   8.019   3.344   5.627
  106    HA   CYS  16           HA       CYS  16   5.225   3.276   6.021
  107    HB2  CYS  16           HB2      CYS  16   7.407   1.282   5.796
  108    HB3  CYS  16           HB3      CYS  16   5.940   0.742   6.607
  109    H    SER  17           H        SER  17   4.060   2.266   7.784
  110    HA   SER  17           HA       SER  17   4.525   3.396  10.253
  111    HB2  SER  17           HB2      SER  17   2.457   2.067   9.257
  112    HB3  SER  17           HB3      SER  17   3.169   0.735  10.168
  113    HG   SER  17           HG       SER  17   2.345   1.597  11.884
  114    H    GLY  18           H        GLY  18   6.028   3.083  11.748
  115    HA2  GLY  18           HA2      GLY  18   6.958   1.404  13.323
  116    HA3  GLY  18           HA3      GLY  18   7.296   0.417  11.908
  117    H    LEU  19           H        LEU  19   8.019   3.098  10.544
  118    HA   LEU  19           HA       LEU  19  10.760   3.203  11.617
  119    HB2  LEU  19           HB2      LEU  19   9.754   3.692   8.818
  120    HB3  LEU  19           HB3      LEU  19  11.417   3.948   9.342
  121    HG   LEU  19           HG       LEU  19  10.013   1.279   9.390
  122   HD11  LEU  19          HD11      LEU  19  11.999   2.345   7.388
  123   HD12  LEU  19          HD12      LEU  19  10.274   2.126   7.098
  124   HD13  LEU  19          HD13      LEU  19  11.298   0.726   7.415
  125   HD21  LEU  19          HD21      LEU  19  11.950   1.746  10.976
  126   HD22  LEU  19          HD22      LEU  19  12.961   1.838   9.533
  127   HD23  LEU  19          HD23      LEU  19  12.101   0.345   9.915
  128    H    LYS  20           H        LYS  20  11.823   5.220  11.712
  129    HA   LYS  20           HA       LYS  20   9.976   7.501  11.890
  130    HB2  LYS  20           HB2      LYS  20  11.586   8.506  13.416
  131    HB3  LYS  20           HB3      LYS  20  11.142   6.897  13.972
  132    HG2  LYS  20           HG2      LYS  20  13.219   6.066  13.666
  133    HG3  LYS  20           HG3      LYS  20  13.533   7.073  12.251
  134    HD2  LYS  20           HD2      LYS  20  14.699   8.484  13.512
  135    HD3  LYS  20           HD3      LYS  20  13.272   8.781  14.507
  136    HE2  LYS  20           HE2      LYS  20  14.003   6.440  15.543
  137    HE3  LYS  20           HE3      LYS  20  15.583   6.978  14.973
  138    HZ1  LYS  20           HZ1      LYS  20  14.390   7.683  17.324
  139    HZ2  LYS  20           HZ2      LYS  20  14.166   9.045  16.347
  140    HZ3  LYS  20           HZ3      LYS  20  15.724   8.446  16.618
  141    H    CYS  21           H        CYS  21  10.589   9.538  11.064
  142    HA   CYS  21           HA       CYS  21  12.380   9.350   8.763
  143    HB2  CYS  21           HB2      CYS  21  10.233  10.240   8.220
  144    HB3  CYS  21           HB3      CYS  21  10.284  11.365   9.573
  145    H    ASP  22           H        ASP  22  14.411   9.507   9.679
  146    HA   ASP  22           HA       ASP  22  15.206  11.316  11.654
  147    HB2  ASP  22           HB2      ASP  22  16.450   9.276  10.578
  148    HB3  ASP  22           HB3      ASP  22  17.094  10.492   9.478
  149    H    SER  23           H        SER  23  14.694  13.423  11.446
  150    HA   SER  23           HA       SER  23  14.848  14.831   8.963
  151    HB2  SER  23           HB2      SER  23  14.240  16.799  10.258
  152    HB3  SER  23           HB3      SER  23  13.251  15.433  10.773
  153    HG   SER  23           HG       SER  23  13.970  16.348  12.625
  154    H    LYS  24           H        LYS  24  17.139  13.929  11.265
  155    HA   LYS  24           HA       LYS  24  18.908  16.187  10.859
  156    HB2  LYS  24           HB2      LYS  24  19.330  13.563  12.302
  157    HB3  LYS  24           HB3      LYS  24  20.474  14.898  12.287
  158    HG2  LYS  24           HG2      LYS  24  17.954  15.913  13.103
  159    HG3  LYS  24           HG3      LYS  24  18.294  14.455  14.038
  160    HD2  LYS  24           HD2      LYS  24  19.285  16.134  15.303
  161    HD3  LYS  24           HD3      LYS  24  20.638  15.494  14.367
  162    HE2  LYS  24           HE2      LYS  24  19.180  17.656  13.039
  163    HE3  LYS  24           HE3      LYS  24  19.947  18.134  14.552
  164    HZ1  LYS  24           HZ1      LYS  24  21.780  16.589  13.137
  165    HZ2  LYS  24           HZ2      LYS  24  21.862  18.244  13.476
  166    HZ3  LYS  24           HZ3      LYS  24  21.140  17.710  12.043
  167    H    ARG  25           H        ARG  25  18.763  12.769   9.935
  168    HA   ARG  25           HA       ARG  25  21.056  13.173   8.152
  169    HB2  ARG  25           HB2      ARG  25  19.682  10.641   9.070
  170    HB3  ARG  25           HB3      ARG  25  21.036  10.691   7.949
  171    HG2  ARG  25           HG2      ARG  25  21.504  12.114  10.464
  172    HG3  ARG  25           HG3      ARG  25  21.243  10.377  10.639
  173    HD2  ARG  25           HD2      ARG  25  23.106   9.837   9.387
  174    HD3  ARG  25           HD3      ARG  25  23.111  11.383   8.539
  175    HE   ARG  25           HE       ARG  25  23.618  11.772  11.292
  176   HH11  ARG  25          HH11      ARG  25  25.108  10.591   8.376
  177   HH12  ARG  25          HH12      ARG  25  26.719  10.969   8.891
  178   HH21  ARG  25          HH21      ARG  25  25.734  12.274  11.982
  179   HH22  ARG  25          HH22      ARG  25  27.074  11.925  10.942
  180    H    LYS  26           H        LYS  26  17.850  13.559   7.989
  181    HA   LYS  26           HA       LYS  26  16.266  13.520   6.351
  182    HB2  LYS  26           HB2      LYS  26  18.610  13.556   4.449
  183    HB3  LYS  26           HB3      LYS  26  16.992  14.184   4.166
  184    HG2  LYS  26           HG2      LYS  26  17.831  15.551   6.411
  185    HG3  LYS  26           HG3      LYS  26  19.284  15.443   5.415
  186    HD2  LYS  26           HD2      LYS  26  17.418  16.109   3.556
  187    HD3  LYS  26           HD3      LYS  26  16.795  16.947   4.979
  188    HE2  LYS  26           HE2      LYS  26  19.575  17.390   4.935
  189    HE3  LYS  26           HE3      LYS  26  19.003  17.638   3.286
  190    HZ1  LYS  26           HZ1      LYS  26  18.292  19.099   5.735
  191    HZ2  LYS  26           HZ2      LYS  26  17.176  19.024   4.466
  192    HZ3  LYS  26           HZ3      LYS  26  18.705  19.701   4.209
  193    H    VAL  27           H        VAL  27  16.817  11.002   7.328
  194    HA   VAL  27           HA       VAL  27  16.095   9.373   5.033
  195    HB   VAL  27           HB       VAL  27  17.722   7.579   5.683
  196   HG11  VAL  27          HG11      VAL  27  18.846  10.199   4.702
  197   HG12  VAL  27          HG12      VAL  27  19.653   8.637   4.553
  198   HG13  VAL  27          HG13      VAL  27  18.124   8.925   3.722
  199   HG21  VAL  27          HG21      VAL  27  19.324   7.853   7.263
  200   HG22  VAL  27          HG22      VAL  27  19.475   9.586   6.969
  201   HG23  VAL  27          HG23      VAL  27  18.134   8.968   7.934
  202    H    CYS  28           H        CYS  28  15.490   7.116   5.749
  203    HA   CYS  28           HA       CYS  28  13.871   7.337   8.154
  204    HB2  CYS  28           HB2      CYS  28  14.003   5.179   6.037
  205    HB3  CYS  28           HB3      CYS  28  12.861   5.209   7.376
  206    H    VAL  29           H        VAL  29  14.125   6.159   9.987
  207    HA   VAL  29           HA       VAL  29  16.109   4.023  10.074
  208    HB   VAL  29           HB       VAL  29  17.230   4.963  12.049
  209   HG11  VAL  29          HG11      VAL  29  17.334   6.927   9.769
  210   HG12  VAL  29          HG12      VAL  29  18.625   6.510  10.898
  211   HG13  VAL  29          HG13      VAL  29  18.072   5.327   9.712
  212   HG21  VAL  29          HG21      VAL  29  15.388   7.277  11.526
  213   HG22  VAL  29          HG22      VAL  29  15.642   6.388  13.028
  214   HG23  VAL  29          HG23      VAL  29  16.896   7.469  12.421
  215    H    LYS  30           H        LYS  30  16.141   2.997  12.306
  216    HA   LYS  30           HA       LYS  30  13.492   2.266  13.008
  217    HB2  LYS  30           HB2      LYS  30  15.511   0.789  13.195
  218    HB3  LYS  30           HB3      LYS  30  16.020   1.744  14.581
  219    HG2  LYS  30           HG2      LYS  30  14.631   0.680  15.955
  220    HG3  LYS  30           HG3      LYS  30  13.283   0.795  14.820
  221    HD2  LYS  30           HD2      LYS  30  14.222  -1.108  13.560
  222    HD3  LYS  30           HD3      LYS  30  15.511  -1.241  14.758
  223    HE2  LYS  30           HE2      LYS  30  14.144  -2.687  15.785
  224    HE3  LYS  30           HE3      LYS  30  13.275  -1.252  16.326
  225    HZ1  LYS  30           HZ1      LYS  30  12.519  -2.172  13.700
  226    HZ2  LYS  30           HZ2      LYS  30  11.549  -1.710  15.006
  227    HZ3  LYS  30           HZ3      LYS  30  12.180  -3.278  14.935
  228    H    GLY  31           H        GLY  31  12.155   3.005  14.552
  229    HA2  GLY  31           HA2      GLY  31  13.198   4.612  16.748
  230    HA3  GLY  31           HA3      GLY  31  12.114   5.434  15.635
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   0.759  -0.266  -0.919
    2    HA2  GLY   1           HA2      GLY   1   1.500   2.069  -0.519
    3    HA3  GLY   1           HA3      GLY   1   2.051   0.995   0.758
    4    H    TYR   2           H        TYR   2   4.215  -0.121   0.210
    5    HA   TYR   2           HA       TYR   2   6.467   0.167   0.031
    6    HB2  TYR   2           HB2      TYR   2   6.007  -0.141  -2.328
    7    HB3  TYR   2           HB3      TYR   2   5.582   1.558  -2.505
    8    HD1  TYR   2           HD1      TYR   2   7.175   2.958  -3.406
    9    HD2  TYR   2           HD2      TYR   2   8.458  -0.522  -1.321
   10    HE1  TYR   2           HE1      TYR   2   9.509   3.488  -3.971
   11    HE2  TYR   2           HE2      TYR   2  10.796  -0.001  -1.879
   12    HH   TYR   2           HH       TYR   2  11.687   3.010  -3.437
   13    H    CYS   3           H        CYS   3   6.740   1.486   1.848
   14    HA   CYS   3           HA       CYS   3   6.799   4.382   1.393
   15    HB2  CYS   3           HB2      CYS   3   7.336   3.255   4.089
   16    HB3  CYS   3           HB3      CYS   3   6.406   4.677   3.628
   17    H    ALA   4           H        ALA   4   8.605   5.324   3.085
   18    HA   ALA   4           HA       ALA   4  11.108   4.527   1.872
   19    HB1  ALA   4           HB1      ALA   4  11.997   6.453   3.283
   20    HB2  ALA   4           HB2      ALA   4  10.835   6.853   2.018
   21    HB3  ALA   4           HB3      ALA   4  10.314   6.773   3.701
   22    H    THR   5           H        THR   5  12.054   2.762   2.685
   23    HA   THR   5           HA       THR   5  11.845   2.086   5.488
   24    HB   THR   5           HB       THR   5  13.505   0.222   4.721
   25    HG1  THR   5           HG1      THR   5  13.762   0.001   2.589
   26   HG21  THR   5          HG21      THR   5  11.195  -0.512   3.269
   27   HG22  THR   5          HG22      THR   5  10.661   0.514   4.601
   28   HG23  THR   5          HG23      THR   5  11.613  -0.934   4.929
   29    H    LYS   6           H        LYS   6  13.937   1.338   6.596
   30    HA   LYS   6           HA       LYS   6  15.526   3.481   7.215
   31    HB2  LYS   6           HB2      LYS   6  15.473   1.471   8.578
   32    HB3  LYS   6           HB3      LYS   6  16.255   0.549   7.301
   33    HG2  LYS   6           HG2      LYS   6  18.312   1.553   7.656
   34    HG3  LYS   6           HG3      LYS   6  17.602   2.941   8.485
   35    HD2  LYS   6           HD2      LYS   6  18.133   1.916  10.394
   36    HD3  LYS   6           HD3      LYS   6  16.838   0.772  10.031
   37    HE2  LYS   6           HE2      LYS   6  18.323  -0.795   9.127
   38    HE3  LYS   6           HE3      LYS   6  19.605   0.400   8.931
   39    HZ1  LYS   6           HZ1      LYS   6  19.369   0.514  11.528
   40    HZ2  LYS   6           HZ2      LYS   6  20.327  -0.668  10.788
   41    HZ3  LYS   6           HZ3      LYS   6  18.772  -1.056  11.329
   42    H    GLY   7           H        GLY   7  17.321   4.441   6.420
   43    HA2  GLY   7           HA2      GLY   7  19.286   4.627   5.150
   44    HA3  GLY   7           HA3      GLY   7  18.876   3.123   4.337
   45    H    ILE   8           H        ILE   8  16.068   4.437   4.041
   46    HA   ILE   8           HA       ILE   8  16.663   5.595   1.440
   47    HB   ILE   8           HB       ILE   8  13.952   5.099   2.668
   48   HG12  ILE   8          HG12      ILE   8  15.302   3.020   2.535
   49   HG13  ILE   8          HG13      ILE   8  13.909   2.994   1.459
   50   HG21  ILE   8          HG21      ILE   8  13.568   6.504   0.887
   51   HG22  ILE   8          HG22      ILE   8  14.931   5.877  -0.039
   52   HG23  ILE   8          HG23      ILE   8  13.453   4.926   0.110
   53   HD11  ILE   8          HD11      ILE   8  15.227   2.577  -0.261
   54   HD12  ILE   8          HD12      ILE   8  16.143   4.052   0.048
   55   HD13  ILE   8          HD13      ILE   8  16.612   2.542   0.829
   56    H    LYS   9           H        LYS   9  16.890   7.705   1.171
   57    HA   LYS   9           HA       LYS   9  16.602   9.642   3.121
   58    HB2  LYS   9           HB2      LYS   9  16.307  10.083   0.145
   59    HB3  LYS   9           HB3      LYS   9  16.773  11.285   1.342
   60    HG2  LYS   9           HG2      LYS   9  18.517   8.990   1.444
   61    HG3  LYS   9           HG3      LYS   9  18.460   9.685  -0.178
   62    HD2  LYS   9           HD2      LYS   9  18.709  11.585   2.078
   63    HD3  LYS   9           HD3      LYS   9  20.113  10.571   1.735
   64    HE2  LYS   9           HE2      LYS   9  19.208  11.483  -0.753
   65    HE3  LYS   9           HE3      LYS   9  19.126  12.878   0.321
   66    HZ1  LYS   9           HZ1      LYS   9  21.301  13.100   0.086
   67    HZ2  LYS   9           HZ2      LYS   9  21.395  11.697  -0.855
   68    HZ3  LYS   9           HZ3      LYS   9  21.539  11.598   0.828
   69    H    CYS  10           H        CYS  10  15.002  10.989   3.795
   70    HA   CYS  10           HA       CYS  10  12.338  10.593   2.596
   71    HB2  CYS  10           HB2      CYS  10  11.411  11.023   4.875
   72    HB3  CYS  10           HB3      CYS  10  12.364   9.546   4.767
   73    H    ASN  11           H        ASN  11  13.577  12.497   1.380
   74    HA   ASN  11           HA       ASN  11  13.427  15.042   2.718
   75    HB2  ASN  11           HB2      ASN  11  14.113  14.167  -0.076
   76    HB3  ASN  11           HB3      ASN  11  13.877  15.871   0.302
   77   HD21  ASN  11          HD21      ASN  11  15.344  16.925   1.625
   78   HD22  ASN  11          HD22      ASN  11  16.897  16.262   1.992
   79    H    ASP  12           H        ASP  12  11.365  13.102   0.729
   80    HA   ASP  12           HA       ASP  12   9.215  15.024   1.075
   81    HB2  ASP  12           HB2      ASP  12  10.490  15.410  -1.174
   82    HB3  ASP  12           HB3      ASP  12   9.635  13.962  -1.699
   83    H    ILE  13           H        ILE  13  10.077  12.183   1.783
   84    HA   ILE  13           HA       ILE  13   7.474  10.966   1.209
   85    HB   ILE  13           HB       ILE  13   9.140  10.056  -0.412
   86   HG12  ILE  13          HG12      ILE  13   8.569   7.716   1.282
   87   HG13  ILE  13          HG13      ILE  13   7.182   8.758   0.983
   88   HG21  ILE  13          HG21      ILE  13  10.428   8.864   2.039
   89   HG22  ILE  13          HG22      ILE  13  10.899   8.589   0.363
   90   HG23  ILE  13          HG23      ILE  13  11.096  10.187   1.084
   91   HD11  ILE  13          HD11      ILE  13   8.136   8.556  -1.510
   92   HD12  ILE  13          HD12      ILE  13   8.671   7.008  -0.854
   93   HD13  ILE  13          HD13      ILE  13   6.961   7.437  -0.820
   94    H    HIS  14           H        HIS  14   6.666   9.679   2.827
   95    HA   HIS  14           HA       HIS  14   8.082   9.834   5.378
   96    HB2  HIS  14           HB2      HIS  14   5.922   9.208   6.380
   97    HB3  HIS  14           HB3      HIS  14   5.768  10.623   5.343
   98    HD1  HIS  14           HD1      HIS  14   3.985  10.523   3.614
   99    HD2  HIS  14           HD2      HIS  14   4.981   6.755   5.054
  100    HE1  HIS  14           HE1      HIS  14   2.334   8.944   2.563
  101    H    CYS  15           H        CYS  15   8.124   7.967   6.807
  102    HA   CYS  15           HA       CYS  15   8.756   5.546   5.319
  103    HB2  CYS  15           HB2      CYS  15   9.039   5.750   8.289
  104    HB3  CYS  15           HB3      CYS  15  10.050   4.898   7.126
  105    H    CYS  16           H        CYS  16   7.979   3.457   5.990
  106    HA   CYS  16           HA       CYS  16   5.189   3.356   6.315
  107    HB2  CYS  16           HB2      CYS  16   7.401   1.385   6.211
  108    HB3  CYS  16           HB3      CYS  16   5.909   0.843   6.975
  109    H    SER  17           H        SER  17   3.933   2.508   8.049
  110    HA   SER  17           HA       SER  17   4.378   3.635  10.523
  111    HB2  SER  17           HB2      SER  17   2.860   1.056  10.347
  112    HB3  SER  17           HB3      SER  17   2.473   2.520  11.252
  113    HG   SER  17           HG       SER  17   1.276   1.979   9.184
  114    H    GLY  18           H        GLY  18   6.219   3.324  11.635
  115    HA2  GLY  18           HA2      GLY  18   6.865   1.569  13.414
  116    HA3  GLY  18           HA3      GLY  18   7.182   0.568  12.005
  117    H    LEU  19           H        LEU  19   7.998   3.366  10.787
  118    HA   LEU  19           HA       LEU  19  10.741   3.292  11.862
  119    HB2  LEU  19           HB2      LEU  19   9.775   3.755   9.050
  120    HB3  LEU  19           HB3      LEU  19  11.422   4.098   9.576
  121    HG   LEU  19           HG       LEU  19  10.145   1.368   9.692
  122   HD11  LEU  19          HD11      LEU  19  12.050   2.480   7.638
  123   HD12  LEU  19          HD12      LEU  19  10.336   2.161   7.377
  124   HD13  LEU  19          HD13      LEU  19  11.439   0.827   7.716
  125   HD21  LEU  19          HD21      LEU  19  13.060   2.100   9.804
  126   HD22  LEU  19          HD22      LEU  19  12.304   0.553  10.184
  127   HD23  LEU  19          HD23      LEU  19  12.061   1.939  11.249
  128    H    LYS  20           H        LYS  20  11.950   5.325  11.659
  129    HA   LYS  20           HA       LYS  20  10.177   7.672  11.850
  130    HB2  LYS  20           HB2      LYS  20  12.532   6.847  13.514
  131    HB3  LYS  20           HB3      LYS  20  12.122   8.550  13.355
  132    HG2  LYS  20           HG2      LYS  20   9.786   7.904  14.113
  133    HG3  LYS  20           HG3      LYS  20  10.483   6.347  14.564
  134    HD2  LYS  20           HD2      LYS  20  11.024   7.277  16.517
  135    HD3  LYS  20           HD3      LYS  20  12.227   8.224  15.640
  136    HE2  LYS  20           HE2      LYS  20   9.383   9.144  15.791
  137    HE3  LYS  20           HE3      LYS  20  10.487   9.437  17.134
  138    HZ1  LYS  20           HZ1      LYS  20  10.242  10.879  14.750
  139    HZ2  LYS  20           HZ2      LYS  20  11.776  10.168  14.760
  140    HZ3  LYS  20           HZ3      LYS  20  11.298  11.164  16.041
  141    H    CYS  21           H        CYS  21  10.648   9.384  10.607
  142    HA   CYS  21           HA       CYS  21  12.821   9.151   8.713
  143    HB2  CYS  21           HB2      CYS  21  10.797   9.935   7.771
  144    HB3  CYS  21           HB3      CYS  21  10.555  11.105   9.064
  145    H    ASP  22           H        ASP  22  14.749   9.515   9.708
  146    HA   ASP  22           HA       ASP  22  15.267  11.412  11.695
  147    HB2  ASP  22           HB2      ASP  22  16.712   9.424  10.738
  148    HB3  ASP  22           HB3      ASP  22  17.394  10.689   9.720
  149    H    SER  23           H        SER  23  14.762  13.501  11.447
  150    HA   SER  23           HA       SER  23  14.915  14.868   8.947
  151    HB2  SER  23           HB2      SER  23  14.498  15.856  11.775
  152    HB3  SER  23           HB3      SER  23  14.443  16.906  10.359
  153    HG   SER  23           HG       SER  23  12.398  15.869  11.227
  154    H    LYS  24           H        LYS  24  17.219  14.047  11.261
  155    HA   LYS  24           HA       LYS  24  18.939  16.338  10.844
  156    HB2  LYS  24           HB2      LYS  24  19.319  13.740  12.336
  157    HB3  LYS  24           HB3      LYS  24  20.559  14.982  12.224
  158    HG2  LYS  24           HG2      LYS  24  17.899  15.851  13.170
  159    HG3  LYS  24           HG3      LYS  24  18.834  14.816  14.252
  160    HD2  LYS  24           HD2      LYS  24  20.056  16.568  14.864
  161    HD3  LYS  24           HD3      LYS  24  20.591  16.777  13.195
  162    HE2  LYS  24           HE2      LYS  24  19.597  18.792  13.434
  163    HE3  LYS  24           HE3      LYS  24  18.147  17.875  13.027
  164    HZ1  LYS  24           HZ1      LYS  24  17.297  18.309  15.011
  165    HZ2  LYS  24           HZ2      LYS  24  18.595  19.350  15.313
  166    HZ3  LYS  24           HZ3      LYS  24  18.673  17.735  15.810
  167    H    ARG  25           H        ARG  25  18.893  12.907   9.946
  168    HA   ARG  25           HA       ARG  25  21.152  13.376   8.134
  169    HB2  ARG  25           HB2      ARG  25  19.887  10.802   9.090
  170    HB3  ARG  25           HB3      ARG  25  21.235  10.896   7.966
  171    HG2  ARG  25           HG2      ARG  25  21.424  12.183  10.656
  172    HG3  ARG  25           HG3      ARG  25  21.694  10.450  10.467
  173    HD2  ARG  25           HD2      ARG  25  23.106  12.221   8.569
  174    HD3  ARG  25           HD3      ARG  25  23.641  12.285  10.247
  175    HE   ARG  25           HE       ARG  25  23.405   9.606   9.288
  176   HH11  ARG  25          HH11      ARG  25  25.461  12.415   9.311
  177   HH12  ARG  25          HH12      ARG  25  26.919  11.511   9.067
  178   HH21  ARG  25          HH21      ARG  25  25.317   8.405   8.967
  179   HH22  ARG  25          HH22      ARG  25  26.836   9.230   8.870
  180    H    LYS  26           H        LYS  26  17.953  13.682   7.984
  181    HA   LYS  26           HA       LYS  26  16.354  13.567   6.364
  182    HB2  LYS  26           HB2      LYS  26  18.778  13.698   4.560
  183    HB3  LYS  26           HB3      LYS  26  17.123  14.044   4.076
  184    HG2  LYS  26           HG2      LYS  26  17.387  16.154   4.677
  185    HG3  LYS  26           HG3      LYS  26  17.718  15.649   6.335
  186    HD2  LYS  26           HD2      LYS  26  20.100  15.244   5.613
  187    HD3  LYS  26           HD3      LYS  26  19.691  16.042   4.093
  188    HE2  LYS  26           HE2      LYS  26  19.009  17.448   6.616
  189    HE3  LYS  26           HE3      LYS  26  20.711  17.358   6.167
  190    HZ1  LYS  26           HZ1      LYS  26  19.323  18.072   3.879
  191    HZ2  LYS  26           HZ2      LYS  26  20.353  19.045   4.801
  192    HZ3  LYS  26           HZ3      LYS  26  18.692  19.031   5.121
  193    H    VAL  27           H        VAL  27  17.040  11.076   7.398
  194    HA   VAL  27           HA       VAL  27  16.283   9.376   5.165
  195    HB   VAL  27           HB       VAL  27  17.983   7.648   5.786
  196   HG11  VAL  27          HG11      VAL  27  19.866   8.779   4.612
  197   HG12  VAL  27          HG12      VAL  27  18.311   8.943   3.794
  198   HG13  VAL  27          HG13      VAL  27  18.967  10.292   4.723
  199   HG21  VAL  27          HG21      VAL  27  19.577   9.822   7.076
  200   HG22  VAL  27          HG22      VAL  27  18.422   8.894   8.032
  201   HG23  VAL  27          HG23      VAL  27  19.751   8.072   7.213
  202    H    CYS  28           H        CYS  28  15.293   7.421   5.795
  203    HA   CYS  28           HA       CYS  28  13.957   7.559   8.325
  204    HB2  CYS  28           HB2      CYS  28  13.926   5.466   6.143
  205    HB3  CYS  28           HB3      CYS  28  12.901   5.414   7.574
  206    H    VAL  29           H        VAL  29  13.951   5.898   9.944
  207    HA   VAL  29           HA       VAL  29  16.162   4.010   9.960
  208    HB   VAL  29           HB       VAL  29  16.857   4.778  12.266
  209   HG11  VAL  29          HG11      VAL  29  17.478   6.994  10.393
  210   HG12  VAL  29          HG12      VAL  29  18.557   6.011  11.385
  211   HG13  VAL  29          HG13      VAL  29  17.891   5.356   9.888
  212   HG21  VAL  29          HG21      VAL  29  16.269   6.881  13.081
  213   HG22  VAL  29          HG22      VAL  29  15.661   7.425  11.518
  214   HG23  VAL  29          HG23      VAL  29  14.749   6.243  12.457
  215    H    LYS  30           H        LYS  30  16.133   2.821  12.197
  216    HA   LYS  30           HA       LYS  30  13.779   1.395  12.408
  217    HB2  LYS  30           HB2      LYS  30  16.069   0.811  13.351
  218    HB3  LYS  30           HB3      LYS  30  15.665   1.836  14.721
  219    HG2  LYS  30           HG2      LYS  30  13.618   0.396  15.039
  220    HG3  LYS  30           HG3      LYS  30  14.323  -0.709  13.856
  221    HD2  LYS  30           HD2      LYS  30  15.861   0.196  16.271
  222    HD3  LYS  30           HD3      LYS  30  14.749  -1.173  16.346
  223    HE2  LYS  30           HE2      LYS  30  16.847  -1.042  14.216
  224    HE3  LYS  30           HE3      LYS  30  17.264  -1.586  15.841
  225    HZ1  LYS  30           HZ1      LYS  30  16.475  -3.571  15.323
  226    HZ2  LYS  30           HZ2      LYS  30  16.028  -3.036  13.782
  227    HZ3  LYS  30           HZ3      LYS  30  14.937  -2.915  15.068
  228    H    GLY  31           H        GLY  31  12.083   1.355  13.943
  229    HA2  GLY  31           HA2      GLY  31  11.752   3.784  15.567
  230    HA3  GLY  31           HA3      GLY  31  10.498   3.354  14.413
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   2.129   0.274   2.985
    2    HA2  GLY   1           HA2      GLY   1   4.089  -1.080   2.836
    3    HA3  GLY   1           HA3      GLY   1   3.208  -1.394   1.348
    4    H    TYR   2           H        TYR   2   3.661   0.761  -0.186
    5    HA   TYR   2           HA       TYR   2   6.466   0.447  -0.832
    6    HB2  TYR   2           HB2      TYR   2   4.362   0.566  -2.438
    7    HB3  TYR   2           HB3      TYR   2   4.680   2.295  -2.352
    8    HD1  TYR   2           HD1      TYR   2   6.519  -0.908  -2.937
    9    HD2  TYR   2           HD2      TYR   2   6.102   3.210  -3.923
   10    HE1  TYR   2           HE1      TYR   2   8.260  -1.150  -4.658
   11    HE2  TYR   2           HE2      TYR   2   7.840   2.979  -5.647
   12    HH   TYR   2           HH       TYR   2   9.173   1.574  -6.742
   13    H    CYS   3           H        CYS   3   6.511   1.670   1.497
   14    HA   CYS   3           HA       CYS   3   6.705   4.556   1.020
   15    HB2  CYS   3           HB2      CYS   3   7.206   3.424   3.721
   16    HB3  CYS   3           HB3      CYS   3   6.342   4.886   3.255
   17    H    ALA   4           H        ALA   4   8.564   5.357   2.793
   18    HA   ALA   4           HA       ALA   4  11.023   4.437   1.545
   19    HB1  ALA   4           HB1      ALA   4  10.932   6.761   1.621
   20    HB2  ALA   4           HB2      ALA   4  10.307   6.780   3.270
   21    HB3  ALA   4           HB3      ALA   4  11.990   6.348   2.971
   22    H    THR   5           H        THR   5  11.952   2.693   2.399
   23    HA   THR   5           HA       THR   5  11.670   2.053   5.206
   24    HB   THR   5           HB       THR   5  13.292   0.137   4.493
   25    HG1  THR   5           HG1      THR   5  12.255   0.758   1.930
   26   HG21  THR   5          HG21      THR   5  11.364  -0.963   4.682
   27   HG22  THR   5          HG22      THR   5  10.994  -0.557   3.006
   28   HG23  THR   5          HG23      THR   5  10.459   0.504   4.309
   29    H    LYS   6           H        LYS   6  13.783   1.187   6.283
   30    HA   LYS   6           HA       LYS   6  15.385   3.287   6.992
   31    HB2  LYS   6           HB2      LYS   6  15.707   0.329   7.104
   32    HB3  LYS   6           HB3      LYS   6  17.125   1.315   7.435
   33    HG2  LYS   6           HG2      LYS   6  15.483   2.568   9.054
   34    HG3  LYS   6           HG3      LYS   6  14.601   1.040   8.982
   35    HD2  LYS   6           HD2      LYS   6  16.030   0.789  10.816
   36    HD3  LYS   6           HD3      LYS   6  16.856  -0.063   9.509
   37    HE2  LYS   6           HE2      LYS   6  17.537   2.774   9.687
   38    HE3  LYS   6           HE3      LYS   6  17.971   1.851  11.124
   39    HZ1  LYS   6           HZ1      LYS   6  19.669   0.950  10.051
   40    HZ2  LYS   6           HZ2      LYS   6  19.362   1.982   8.746
   41    HZ3  LYS   6           HZ3      LYS   6  18.683   0.433   8.777
   42    H    GLY   7           H        GLY   7  17.127   4.319   6.194
   43    HA2  GLY   7           HA2      GLY   7  19.120   4.515   4.938
   44    HA3  GLY   7           HA3      GLY   7  18.647   3.098   4.012
   45    H    ILE   8           H        ILE   8  15.886   4.347   3.744
   46    HA   ILE   8           HA       ILE   8  16.482   5.775   1.296
   47    HB   ILE   8           HB       ILE   8  13.762   5.220   2.474
   48   HG12  ILE   8          HG12      ILE   8  15.060   3.128   2.226
   49   HG13  ILE   8          HG13      ILE   8  13.701   3.203   1.110
   50   HG21  ILE   8          HG21      ILE   8  13.767   6.893   0.724
   51   HG22  ILE   8          HG22      ILE   8  14.680   5.819  -0.334
   52   HG23  ILE   8          HG23      ILE   8  13.030   5.405   0.130
   53   HD11  ILE   8          HD11      ILE   8  15.251   3.901  -0.673
   54   HD12  ILE   8          HD12      ILE   8  16.592   3.710   0.457
   55   HD13  ILE   8          HD13      ILE   8  15.626   2.310  -0.010
   56    H    LYS   9           H        LYS   9  16.364   7.913   0.986
   57    HA   LYS   9           HA       LYS   9  16.403   9.749   3.041
   58    HB2  LYS   9           HB2      LYS   9  15.550  10.152   0.170
   59    HB3  LYS   9           HB3      LYS   9  15.897  11.461   1.293
   60    HG2  LYS   9           HG2      LYS   9  18.005   9.423   0.991
   61    HG3  LYS   9           HG3      LYS   9  17.698  10.446  -0.414
   62    HD2  LYS   9           HD2      LYS   9  17.741  12.061   1.949
   63    HD3  LYS   9           HD3      LYS   9  19.197  11.065   1.894
   64    HE2  LYS   9           HE2      LYS   9  19.966  12.055  -0.018
   65    HE3  LYS   9           HE3      LYS   9  18.347  12.436  -0.602
   66    HZ1  LYS   9           HZ1      LYS   9  19.107  13.815   1.819
   67    HZ2  LYS   9           HZ2      LYS   9  18.356  14.409   0.425
   68    HZ3  LYS   9           HZ3      LYS   9  20.037  14.223   0.467
   69    H    CYS  10           H        CYS  10  14.924  11.008   4.090
   70    HA   CYS  10           HA       CYS  10  12.086  10.437   3.536
   71    HB2  CYS  10           HB2      CYS  10  11.603  10.348   5.810
   72    HB3  CYS  10           HB3      CYS  10  13.176   9.561   5.732
   73    H    ASN  11           H        ASN  11  14.166  12.681   2.885
   74    HA   ASN  11           HA       ASN  11  13.299  15.046   4.118
   75    HB2  ASN  11           HB2      ASN  11  14.592  16.185   2.545
   76    HB3  ASN  11           HB3      ASN  11  15.364  14.603   2.602
   77   HD21  ASN  11          HD21      ASN  11  13.921  16.932   0.652
   78   HD22  ASN  11          HD22      ASN  11  13.835  16.018  -0.811
   79    H    ASP  12           H        ASP  12  12.044  13.235   1.401
   80    HA   ASP  12           HA       ASP  12   9.849  15.190   1.178
   81    HB2  ASP  12           HB2      ASP  12  11.343  15.083  -0.832
   82    HB3  ASP  12           HB3      ASP  12  10.868  13.398  -1.034
   83    H    ILE  13           H        ILE  13  10.564  11.793   0.340
   84    HA   ILE  13           HA       ILE  13   7.830  11.007   0.651
   85    HB   ILE  13           HB       ILE  13   9.362   9.864  -0.916
   86   HG12  ILE  13          HG12      ILE  13   8.399   7.939   1.201
   87   HG13  ILE  13          HG13      ILE  13   7.304   8.780   0.110
   88   HG21  ILE  13          HG21      ILE  13  10.645   8.735   1.568
   89   HG22  ILE  13          HG22      ILE  13  11.038   8.316  -0.098
   90   HG23  ILE  13          HG23      ILE  13  11.370   9.940   0.503
   91   HD11  ILE  13          HD11      ILE  13   9.203   7.664  -1.564
   92   HD12  ILE  13          HD12      ILE  13   8.913   6.430  -0.338
   93   HD13  ILE  13          HD13      ILE  13   7.566   7.074  -1.275
   94    H    HIS  14           H        HIS  14   6.909   9.733   2.257
   95    HA   HIS  14           HA       HIS  14   8.232   9.928   4.856
   96    HB2  HIS  14           HB2      HIS  14   5.741  10.600   4.250
   97    HB3  HIS  14           HB3      HIS  14   5.448   8.890   4.552
   98    HD1  HIS  14           HD1      HIS  14   6.790  11.963   6.308
   99    HD2  HIS  14           HD2      HIS  14   5.255   8.205   7.192
  100    HE1  HIS  14           HE1      HIS  14   6.499  11.926   8.806
  101    H    CYS  15           H        CYS  15   8.191   8.114   6.337
  102    HA   CYS  15           HA       CYS  15   8.767   5.620   4.951
  103    HB2  CYS  15           HB2      CYS  15   9.000   5.928   7.917
  104    HB3  CYS  15           HB3      CYS  15   9.999   4.993   6.809
  105    H    CYS  16           H        CYS  16   7.887   3.592   5.638
  106    HA   CYS  16           HA       CYS  16   5.089   3.626   5.960
  107    HB2  CYS  16           HB2      CYS  16   7.205   1.554   5.840
  108    HB3  CYS  16           HB3      CYS  16   5.698   1.081   6.617
  109    H    SER  17           H        SER  17   3.808   2.807   7.700
  110    HA   SER  17           HA       SER  17   4.299   3.924  10.169
  111    HB2  SER  17           HB2      SER  17   2.551   1.598   9.371
  112    HB3  SER  17           HB3      SER  17   2.580   2.226  11.018
  113    HG   SER  17           HG       SER  17   1.395   3.248   8.783
  114    H    GLY  18           H        GLY  18   5.953   3.550  11.489
  115    HA2  GLY  18           HA2      GLY  18   6.587   1.759  13.186
  116    HA3  GLY  18           HA3      GLY  18   6.923   0.777  11.767
  117    H    LEU  19           H        LEU  19   7.877   3.402  10.465
  118    HA   LEU  19           HA       LEU  19  10.573   3.312  11.642
  119    HB2  LEU  19           HB2      LEU  19   9.674   3.932   8.835
  120    HB3  LEU  19           HB3      LEU  19  11.330   4.125   9.405
  121    HG   LEU  19           HG       LEU  19   9.858   1.494   9.382
  122   HD11  LEU  19          HD11      LEU  19  11.835   2.581   7.383
  123   HD12  LEU  19          HD12      LEU  19  10.111   2.342   7.104
  124   HD13  LEU  19          HD13      LEU  19  11.158   0.953   7.396
  125   HD21  LEU  19          HD21      LEU  19  11.866   0.503   9.969
  126   HD22  LEU  19          HD22      LEU  19  11.871   1.977  10.939
  127   HD23  LEU  19          HD23      LEU  19  12.822   1.894   9.455
  128    H    LYS  20           H        LYS  20  11.810   5.285  11.670
  129    HA   LYS  20           HA       LYS  20  10.095   7.650  12.009
  130    HB2  LYS  20           HB2      LYS  20  12.858   7.160  13.133
  131    HB3  LYS  20           HB3      LYS  20  11.803   8.517  13.505
  132    HG2  LYS  20           HG2      LYS  20  10.158   6.847  14.419
  133    HG3  LYS  20           HG3      LYS  20  11.428   5.632  14.256
  134    HD2  LYS  20           HD2      LYS  20  12.511   6.368  16.074
  135    HD3  LYS  20           HD3      LYS  20  12.319   8.060  15.609
  136    HE2  LYS  20           HE2      LYS  20  11.187   7.573  17.723
  137    HE3  LYS  20           HE3      LYS  20  10.042   8.053  16.471
  138    HZ1  LYS  20           HZ1      LYS  20   9.810   5.862  18.023
  139    HZ2  LYS  20           HZ2      LYS  20  10.492   5.212  16.619
  140    HZ3  LYS  20           HZ3      LYS  20   9.039   6.074  16.531
  141    H    CYS  21           H        CYS  21  10.702   9.641  11.143
  142    HA   CYS  21           HA       CYS  21  12.467   9.441   8.823
  143    HB2  CYS  21           HB2      CYS  21  10.333  10.354   8.289
  144    HB3  CYS  21           HB3      CYS  21  10.385  11.460   9.657
  145    H    ASP  22           H        ASP  22  14.515   9.600   9.675
  146    HA   ASP  22           HA       ASP  22  15.342  11.396  11.659
  147    HB2  ASP  22           HB2      ASP  22  16.549   9.339  10.527
  148    HB3  ASP  22           HB3      ASP  22  17.228  10.586   9.485
  149    H    SER  23           H        SER  23  14.846  13.508  11.449
  150    HA   SER  23           HA       SER  23  14.988  14.908   8.963
  151    HB2  SER  23           HB2      SER  23  14.504  15.727  11.815
  152    HB3  SER  23           HB3      SER  23  14.733  16.943  10.559
  153    HG   SER  23           HG       SER  23  12.530  15.598  11.143
  154    H    LYS  24           H        LYS  24  17.296  13.989  11.240
  155    HA   LYS  24           HA       LYS  24  19.083  16.227  10.805
  156    HB2  LYS  24           HB2      LYS  24  19.584  13.600  12.215
  157    HB3  LYS  24           HB3      LYS  24  20.625  15.016  12.264
  158    HG2  LYS  24           HG2      LYS  24  17.958  15.719  13.060
  159    HG3  LYS  24           HG3      LYS  24  18.551  14.359  14.016
  160    HD2  LYS  24           HD2      LYS  24  20.119  15.609  15.053
  161    HD3  LYS  24           HD3      LYS  24  20.478  16.547  13.602
  162    HE2  LYS  24           HE2      LYS  24  17.835  17.171  14.459
  163    HE3  LYS  24           HE3      LYS  24  18.915  17.292  15.847
  164    HZ1  LYS  24           HZ1      LYS  24  20.264  18.849  14.711
  165    HZ2  LYS  24           HZ2      LYS  24  18.667  19.368  14.510
  166    HZ3  LYS  24           HZ3      LYS  24  19.469  18.591  13.240
  167    H    ARG  25           H        ARG  25  18.880  12.812   9.889
  168    HA   ARG  25           HA       ARG  25  21.166  13.175   8.088
  169    HB2  ARG  25           HB2      ARG  25  19.760  10.585   8.733
  170    HB3  ARG  25           HB3      ARG  25  21.348  10.798   8.009
  171    HG2  ARG  25           HG2      ARG  25  22.001  11.931  10.203
  172    HG3  ARG  25           HG3      ARG  25  20.516  11.232  10.853
  173    HD2  ARG  25           HD2      ARG  25  21.318   8.998  10.106
  174    HD3  ARG  25           HD3      ARG  25  22.842   9.750   9.636
  175    HE   ARG  25           HE       ARG  25  22.473  10.453  12.261
  176   HH11  ARG  25          HH11      ARG  25  22.690   7.469  10.480
  177   HH12  ARG  25          HH12      ARG  25  23.368   6.578  11.802
  178   HH21  ARG  25          HH21      ARG  25  23.365   9.290  14.009
  179   HH22  ARG  25          HH22      ARG  25  23.751   7.615  13.809
  180    H    LYS  26           H        LYS  26  17.964  13.612   7.951
  181    HA   LYS  26           HA       LYS  26  16.369  13.605   6.324
  182    HB2  LYS  26           HB2      LYS  26  18.864  13.771   4.628
  183    HB3  LYS  26           HB3      LYS  26  17.238  13.995   3.996
  184    HG2  LYS  26           HG2      LYS  26  16.939  15.884   5.570
  185    HG3  LYS  26           HG3      LYS  26  18.624  15.695   6.058
  186    HD2  LYS  26           HD2      LYS  26  19.191  15.954   3.583
  187    HD3  LYS  26           HD3      LYS  26  17.530  16.518   3.381
  188    HE2  LYS  26           HE2      LYS  26  18.955  17.796   5.592
  189    HE3  LYS  26           HE3      LYS  26  19.685  18.089   4.015
  190    HZ1  LYS  26           HZ1      LYS  26  17.099  18.494   3.482
  191    HZ2  LYS  26           HZ2      LYS  26  18.173  19.723   3.921
  192    HZ3  LYS  26           HZ3      LYS  26  17.165  19.026   5.086
  193    H    VAL  27           H        VAL  27  16.898  11.075   7.298
  194    HA   VAL  27           HA       VAL  27  16.120   9.458   5.013
  195    HB   VAL  27           HB       VAL  27  17.726   7.634   5.675
  196   HG11  VAL  27          HG11      VAL  27  18.857  10.212   4.595
  197   HG12  VAL  27          HG12      VAL  27  19.638   8.635   4.466
  198   HG13  VAL  27          HG13      VAL  27  18.091   8.922   3.668
  199   HG21  VAL  27          HG21      VAL  27  19.536   9.651   6.859
  200   HG22  VAL  27          HG22      VAL  27  18.215   9.076   7.877
  201   HG23  VAL  27          HG23      VAL  27  19.375   7.929   7.204
  202    H    CYS  28           H        CYS  28  15.406   7.258   5.702
  203    HA   CYS  28           HA       CYS  28  13.837   7.492   8.126
  204    HB2  CYS  28           HB2      CYS  28  13.939   5.327   6.016
  205    HB3  CYS  28           HB3      CYS  28  12.809   5.362   7.365
  206    H    VAL  29           H        VAL  29  14.042   6.277   9.953
  207    HA   VAL  29           HA       VAL  29  16.278   4.362  10.056
  208    HB   VAL  29           HB       VAL  29  16.629   5.138  12.445
  209   HG11  VAL  29          HG11      VAL  29  17.892   5.826  10.225
  210   HG12  VAL  29          HG12      VAL  29  17.257   7.418  10.646
  211   HG13  VAL  29          HG13      VAL  29  18.293   6.552  11.781
  212   HG21  VAL  29          HG21      VAL  29  15.384   6.757  13.326
  213   HG22  VAL  29          HG22      VAL  29  15.704   7.823  11.958
  214   HG23  VAL  29          HG23      VAL  29  14.365   6.677  11.888
  215    H    LYS  30           H        LYS  30  16.144   2.986  12.097
  216    HA   LYS  30           HA       LYS  30  13.739   1.546  12.086
  217    HB2  LYS  30           HB2      LYS  30  16.151   0.885  12.868
  218    HB3  LYS  30           HB3      LYS  30  15.596   1.457  14.436
  219    HG2  LYS  30           HG2      LYS  30  13.679  -0.327  13.203
  220    HG3  LYS  30           HG3      LYS  30  15.266  -1.079  13.388
  221    HD2  LYS  30           HD2      LYS  30  15.228  -0.258  15.782
  222    HD3  LYS  30           HD3      LYS  30  13.528   0.140  15.523
  223    HE2  LYS  30           HE2      LYS  30  13.144  -1.956  16.219
  224    HE3  LYS  30           HE3      LYS  30  13.644  -2.418  14.593
  225    HZ1  LYS  30           HZ1      LYS  30  14.885  -3.735  16.074
  226    HZ2  LYS  30           HZ2      LYS  30  15.278  -2.421  17.063
  227    HZ3  LYS  30           HZ3      LYS  30  15.960  -2.552  15.521
  228    H    GLY  31           H        GLY  31  12.048   1.387  13.563
  229    HA2  GLY  31           HA2      GLY  31  11.949   3.207  15.826
  230    HA3  GLY  31           HA3      GLY  31  10.812   3.555  14.531
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   3.549  -1.671   2.236
    2    HA2  GLY   1           HA2      GLY   1   2.208  -0.114   1.182
    3    HA3  GLY   1           HA3      GLY   1   2.784   0.923   2.479
    4    H    TYR   2           H        TYR   2   5.021  -0.327   0.141
    5    HA   TYR   2           HA       TYR   2   6.407   0.730  -1.326
    6    HB2  TYR   2           HB2      TYR   2   4.181   0.715  -2.546
    7    HB3  TYR   2           HB3      TYR   2   3.989   2.390  -2.041
    8    HD1  TYR   2           HD1      TYR   2   4.656   4.030  -3.517
    9    HD2  TYR   2           HD2      TYR   2   6.531   0.216  -3.714
   10    HE1  TYR   2           HE1      TYR   2   5.948   4.773  -5.473
   11    HE2  TYR   2           HE2      TYR   2   7.830   0.949  -5.670
   12    HH   TYR   2           HH       TYR   2   7.821   2.576  -7.380
   13    H    CYS   3           H        CYS   3   6.444   1.781   1.295
   14    HA   CYS   3           HA       CYS   3   6.689   4.676   0.908
   15    HB2  CYS   3           HB2      CYS   3   7.175   3.451   3.571
   16    HB3  CYS   3           HB3      CYS   3   6.337   4.943   3.153
   17    H    ALA   4           H        ALA   4   8.564   5.361   2.737
   18    HA   ALA   4           HA       ALA   4  11.006   4.422   1.455
   19    HB1  ALA   4           HB1      ALA   4  12.011   6.305   2.893
   20    HB2  ALA   4           HB2      ALA   4  10.967   6.746   1.542
   21    HB3  ALA   4           HB3      ALA   4  10.336   6.771   3.189
   22    H    THR   5           H        THR   5  11.939   2.680   2.303
   23    HA   THR   5           HA       THR   5  11.615   2.004   5.096
   24    HB   THR   5           HB       THR   5  13.238   0.092   4.387
   25    HG1  THR   5           HG1      THR   5  13.590   1.365   2.301
   26   HG21  THR   5          HG21      THR   5  10.413   0.472   4.154
   27   HG22  THR   5          HG22      THR   5  11.306  -1.008   4.509
   28   HG23  THR   5          HG23      THR   5  10.966  -0.561   2.837
   29    H    LYS   6           H        LYS   6  13.703   1.129   6.201
   30    HA   LYS   6           HA       LYS   6  15.300   3.215   6.958
   31    HB2  LYS   6           HB2      LYS   6  15.120   0.901   8.002
   32    HB3  LYS   6           HB3      LYS   6  16.313   0.377   6.821
   33    HG2  LYS   6           HG2      LYS   6  17.491   2.601   7.899
   34    HG3  LYS   6           HG3      LYS   6  16.654   1.895   9.284
   35    HD2  LYS   6           HD2      LYS   6  17.718  -0.291   8.720
   36    HD3  LYS   6           HD3      LYS   6  18.658   0.544   7.480
   37    HE2  LYS   6           HE2      LYS   6  20.055   1.454   8.984
   38    HE3  LYS   6           HE3      LYS   6  18.756   1.804  10.123
   39    HZ1  LYS   6           HZ1      LYS   6  20.631  -0.267  10.224
   40    HZ2  LYS   6           HZ2      LYS   6  19.108  -0.970  10.010
   41    HZ3  LYS   6           HZ3      LYS   6  19.384   0.068  11.317
   42    H    GLY   7           H        GLY   7  17.080   4.236   6.220
   43    HA2  GLY   7           HA2      GLY   7  19.082   4.451   4.992
   44    HA3  GLY   7           HA3      GLY   7  18.626   3.044   4.043
   45    H    ILE   8           H        ILE   8  15.871   4.293   3.735
   46    HA   ILE   8           HA       ILE   8  16.512   5.749   1.315
   47    HB   ILE   8           HB       ILE   8  13.769   5.180   2.434
   48   HG12  ILE   8          HG12      ILE   8  15.074   3.091   2.194
   49   HG13  ILE   8          HG13      ILE   8  13.737   3.174   1.051
   50   HG21  ILE   8          HG21      ILE   8  13.687   6.830   0.726
   51   HG22  ILE   8          HG22      ILE   8  14.789   5.914  -0.300
   52   HG23  ILE   8          HG23      ILE   8  13.160   5.312   0.001
   53   HD11  ILE   8          HD11      ILE   8  16.478   2.746   0.530
   54   HD12  ILE   8          HD12      ILE   8  15.141   2.835  -0.617
   55   HD13  ILE   8          HD13      ILE   8  16.031   4.295  -0.184
   56    H    LYS   9           H        LYS   9  16.378   7.889   1.017
   57    HA   LYS   9           HA       LYS   9  16.387   9.707   3.090
   58    HB2  LYS   9           HB2      LYS   9  15.484  10.207   0.247
   59    HB3  LYS   9           HB3      LYS   9  15.995  11.440   1.393
   60    HG2  LYS   9           HG2      LYS   9  17.983   9.356   1.082
   61    HG3  LYS   9           HG3      LYS   9  17.588  10.141  -0.449
   62    HD2  LYS   9           HD2      LYS   9  18.052  12.319   0.520
   63    HD3  LYS   9           HD3      LYS   9  18.366  11.576   2.090
   64    HE2  LYS   9           HE2      LYS   9  20.093  10.175   0.615
   65    HE3  LYS   9           HE3      LYS   9  20.037  11.645  -0.357
   66    HZ1  LYS   9           HZ1      LYS   9  21.794  11.635   1.369
   67    HZ2  LYS   9           HZ2      LYS   9  20.591  11.610   2.558
   68    HZ3  LYS   9           HZ3      LYS   9  20.718  12.933   1.511
   69    H    CYS  10           H        CYS  10  14.891  10.964   4.123
   70    HA   CYS  10           HA       CYS  10  12.062  10.376   3.542
   71    HB2  CYS  10           HB2      CYS  10  11.559  10.268   5.810
   72    HB3  CYS  10           HB3      CYS  10  13.141   9.499   5.746
   73    H    ASN  11           H        ASN  11  14.146  12.637   2.937
   74    HA   ASN  11           HA       ASN  11  13.205  14.986   4.169
   75    HB2  ASN  11           HB2      ASN  11  14.358  16.175   2.352
   76    HB3  ASN  11           HB3      ASN  11  15.361  14.883   3.006
   77   HD21  ASN  11          HD21      ASN  11  14.929  16.331   0.296
   78   HD22  ASN  11          HD22      ASN  11  14.960  15.028  -0.838
   79    H    ASP  12           H        ASP  12  12.134  13.204   1.350
   80    HA   ASP  12           HA       ASP  12   9.955  15.159   0.999
   81    HB2  ASP  12           HB2      ASP  12   9.863  13.981  -1.356
   82    HB3  ASP  12           HB3      ASP  12  11.024  15.269  -1.043
   83    H    ILE  13           H        ILE  13  10.628  11.734   0.248
   84    HA   ILE  13           HA       ILE  13   7.866  11.018   0.518
   85    HB   ILE  13           HB       ILE  13   9.366   9.833  -1.038
   86   HG12  ILE  13          HG12      ILE  13   8.499   7.824   1.017
   87   HG13  ILE  13          HG13      ILE  13   7.299   8.802   0.179
   88   HG21  ILE  13          HG21      ILE  13  10.650   8.718   1.452
   89   HG22  ILE  13          HG22      ILE  13  11.014   8.250  -0.208
   90   HG23  ILE  13          HG23      ILE  13  11.386   9.881   0.350
   91   HD11  ILE  13          HD11      ILE  13   7.320   7.084  -1.262
   92   HD12  ILE  13          HD12      ILE  13   8.732   7.914  -1.915
   93   HD13  ILE  13          HD13      ILE  13   8.940   6.568  -0.794
   94    H    HIS  14           H        HIS  14   6.916   9.717   2.102
   95    HA   HIS  14           HA       HIS  14   8.195   9.917   4.722
   96    HB2  HIS  14           HB2      HIS  14   5.712  10.579   4.073
   97    HB3  HIS  14           HB3      HIS  14   5.420   8.869   4.373
   98    HD1  HIS  14           HD1      HIS  14   4.161   9.037   6.541
   99    HD2  HIS  14           HD2      HIS  14   7.759  11.113   6.614
  100    HE1  HIS  14           HE1      HIS  14   4.481   9.744   8.933
  101    H    CYS  15           H        CYS  15   8.151   8.107   6.200
  102    HA   CYS  15           HA       CYS  15   8.746   5.610   4.825
  103    HB2  CYS  15           HB2      CYS  15   8.954   5.936   7.792
  104    HB3  CYS  15           HB3      CYS  15   9.957   4.987   6.701
  105    H    CYS  16           H        CYS  16   7.857   3.585   5.492
  106    HA   CYS  16           HA       CYS  16   5.054   3.632   5.825
  107    HB2  CYS  16           HB2      CYS  16   7.155   1.551   5.629
  108    HB3  CYS  16           HB3      CYS  16   5.653   1.067   6.410
  109    H    SER  17           H        SER  17   3.801   2.707   7.556
  110    HA   SER  17           HA       SER  17   4.284   3.785  10.044
  111    HB2  SER  17           HB2      SER  17   2.160   2.593   8.995
  112    HB3  SER  17           HB3      SER  17   2.769   1.214   9.909
  113    HG   SER  17           HG       SER  17   1.856   3.705  10.842
  114    H    GLY  18           H        GLY  18   5.738   3.371  11.563
  115    HA2  GLY  18           HA2      GLY  18   6.519   1.611  13.139
  116    HA3  GLY  18           HA3      GLY  18   6.849   0.635  11.714
  117    H    LEU  19           H        LEU  19   7.768   3.251  10.391
  118    HA   LEU  19           HA       LEU  19  10.480   3.182  11.529
  119    HB2  LEU  19           HB2      LEU  19   9.519   3.835   8.750
  120    HB3  LEU  19           HB3      LEU  19  11.184   4.042   9.290
  121    HG   LEU  19           HG       LEU  19   9.733   1.398   9.227
  122   HD11  LEU  19          HD11      LEU  19  11.023   0.902   7.239
  123   HD12  LEU  19          HD12      LEU  19  11.752   2.506   7.281
  124   HD13  LEU  19          HD13      LEU  19  10.024   2.331   6.971
  125   HD21  LEU  19          HD21      LEU  19  11.837   0.413   9.677
  126   HD22  LEU  19          HD22      LEU  19  11.637   1.714  10.852
  127   HD23  LEU  19          HD23      LEU  19  12.684   1.944   9.450
  128    H    LYS  20           H        LYS  20  11.704   5.165  11.559
  129    HA   LYS  20           HA       LYS  20   9.978   7.518  11.943
  130    HB2  LYS  20           HB2      LYS  20  12.494   6.589  13.272
  131    HB3  LYS  20           HB3      LYS  20  12.131   8.309  13.228
  132    HG2  LYS  20           HG2      LYS  20   9.864   7.680  14.216
  133    HG3  LYS  20           HG3      LYS  20  10.589   6.106  14.553
  134    HD2  LYS  20           HD2      LYS  20  11.668   6.907  16.329
  135    HD3  LYS  20           HD3      LYS  20  12.333   8.247  15.392
  136    HE2  LYS  20           HE2      LYS  20  10.569   9.653  15.913
  137    HE3  LYS  20           HE3      LYS  20   9.480   8.317  16.283
  138    HZ1  LYS  20           HZ1      LYS  20  11.829   8.578  17.980
  139    HZ2  LYS  20           HZ2      LYS  20  10.241   8.159  18.385
  140    HZ3  LYS  20           HZ3      LYS  20  10.652   9.782  18.147
  141    H    CYS  21           H        CYS  21  10.588   9.519  11.107
  142    HA   CYS  21           HA       CYS  21  12.379   9.354   8.803
  143    HB2  CYS  21           HB2      CYS  21  10.245  10.266   8.262
  144    HB3  CYS  21           HB3      CYS  21  10.287  11.361   9.641
  145    H    ASP  22           H        ASP  22  14.415   9.499   9.696
  146    HA   ASP  22           HA       ASP  22  15.213  11.280  11.705
  147    HB2  ASP  22           HB2      ASP  22  16.434   9.232  10.556
  148    HB3  ASP  22           HB3      ASP  22  17.140  10.501   9.560
  149    H    SER  23           H        SER  23  14.722  13.393  11.508
  150    HA   SER  23           HA       SER  23  14.898  14.815   9.035
  151    HB2  SER  23           HB2      SER  23  14.508  16.832  10.514
  152    HB3  SER  23           HB3      SER  23  13.277  15.573  10.625
  153    HG   SER  23           HG       SER  23  14.651  16.607  12.592
  154    H    LYS  24           H        LYS  24  17.175  13.874  11.335
  155    HA   LYS  24           HA       LYS  24  18.969  16.115  10.944
  156    HB2  LYS  24           HB2      LYS  24  19.260  13.499  12.424
  157    HB3  LYS  24           HB3      LYS  24  20.539  14.702  12.324
  158    HG2  LYS  24           HG2      LYS  24  18.648  16.292  13.240
  159    HG3  LYS  24           HG3      LYS  24  17.981  14.768  13.831
  160    HD2  LYS  24           HD2      LYS  24  19.449  14.725  15.502
  161    HD3  LYS  24           HD3      LYS  24  20.796  14.866  14.370
  162    HE2  LYS  24           HE2      LYS  24  21.001  17.099  14.686
  163    HE3  LYS  24           HE3      LYS  24  19.267  17.337  14.897
  164    HZ1  LYS  24           HZ1      LYS  24  21.247  17.149  16.870
  165    HZ2  LYS  24           HZ2      LYS  24  20.205  15.830  17.056
  166    HZ3  LYS  24           HZ3      LYS  24  19.587  17.405  17.072
  167    H    ARG  25           H        ARG  25  18.776  12.708   9.994
  168    HA   ARG  25           HA       ARG  25  21.086  13.088   8.225
  169    HB2  ARG  25           HB2      ARG  25  19.658  10.550   9.040
  170    HB3  ARG  25           HB3      ARG  25  21.092  10.635   8.026
  171    HG2  ARG  25           HG2      ARG  25  22.175  11.839  10.025
  172    HG3  ARG  25           HG3      ARG  25  20.823  11.186  10.953
  173    HD2  ARG  25           HD2      ARG  25  21.741   9.158  11.011
  174    HD3  ARG  25           HD3      ARG  25  22.015   9.165   9.270
  175    HE   ARG  25           HE       ARG  25  24.201   9.665   9.676
  176   HH11  ARG  25          HH11      ARG  25  22.326  10.524  12.481
  177   HH12  ARG  25          HH12      ARG  25  23.709  10.945  13.437
  178   HH21  ARG  25          HH21      ARG  25  26.028  10.216  10.924
  179   HH22  ARG  25          HH22      ARG  25  25.814  10.770  12.550
  180    H    LYS  26           H        LYS  26  17.885  13.526   8.052
  181    HA   LYS  26           HA       LYS  26  16.311  13.532   6.405
  182    HB2  LYS  26           HB2      LYS  26  18.738  13.601   4.603
  183    HB3  LYS  26           HB3      LYS  26  17.108  14.097   4.168
  184    HG2  LYS  26           HG2      LYS  26  18.819  15.399   6.277
  185    HG3  LYS  26           HG3      LYS  26  18.571  16.003   4.637
  186    HD2  LYS  26           HD2      LYS  26  16.118  16.090   5.131
  187    HD3  LYS  26           HD3      LYS  26  16.501  15.692   6.808
  188    HE2  LYS  26           HE2      LYS  26  16.239  18.076   6.603
  189    HE3  LYS  26           HE3      LYS  26  17.935  17.707   6.912
  190    HZ1  LYS  26           HZ1      LYS  26  16.883  19.188   4.819
  191    HZ2  LYS  26           HZ2      LYS  26  17.453  17.752   4.131
  192    HZ3  LYS  26           HZ3      LYS  26  18.495  18.725   5.043
  193    H    VAL  27           H        VAL  27  16.830  10.994   7.364
  194    HA   VAL  27           HA       VAL  27  16.080   9.397   5.055
  195    HB   VAL  27           HB       VAL  27  17.678   7.566   5.729
  196   HG11  VAL  27          HG11      VAL  27  18.818  10.149   4.668
  197   HG12  VAL  27          HG12      VAL  27  19.601   8.572   4.540
  198   HG13  VAL  27          HG13      VAL  27  18.061   8.862   3.729
  199   HG21  VAL  27          HG21      VAL  27  19.314   7.858   7.271
  200   HG22  VAL  27          HG22      VAL  27  19.475   9.582   6.938
  201   HG23  VAL  27          HG23      VAL  27  18.146   8.999   7.939
  202    H    CYS  28           H        CYS  28  15.361   7.189   5.717
  203    HA   CYS  28           HA       CYS  28  13.760   7.403   8.123
  204    HB2  CYS  28           HB2      CYS  28  13.888   5.230   6.022
  205    HB3  CYS  28           HB3      CYS  28  12.716   5.308   7.333
  206    H    VAL  29           H        VAL  29  13.931   6.156   9.936
  207    HA   VAL  29           HA       VAL  29  15.976   4.071  10.039
  208    HB   VAL  29           HB       VAL  29  16.906   4.965  12.146
  209   HG11  VAL  29          HG11      VAL  29  18.345   6.577  11.148
  210   HG12  VAL  29          HG12      VAL  29  17.921   5.412   9.892
  211   HG13  VAL  29          HG13      VAL  29  17.139   6.993   9.932
  212   HG21  VAL  29          HG21      VAL  29  16.029   6.701  13.230
  213   HG22  VAL  29          HG22      VAL  29  16.030   7.699  11.776
  214   HG23  VAL  29          HG23      VAL  29  14.675   6.619  12.102
  215    H    LYS  30           H        LYS  30  15.618   2.499  11.589
  216    HA   LYS  30           HA       LYS  30  12.914   2.265  12.518
  217    HB2  LYS  30           HB2      LYS  30  14.311   0.348  11.692
  218    HB3  LYS  30           HB3      LYS  30  15.266   0.481  13.163
  219    HG2  LYS  30           HG2      LYS  30  12.631   0.348  14.042
  220    HG3  LYS  30           HG3      LYS  30  12.732  -0.820  12.722
  221    HD2  LYS  30           HD2      LYS  30  14.452  -2.026  13.782
  222    HD3  LYS  30           HD3      LYS  30  14.782  -0.716  14.918
  223    HE2  LYS  30           HE2      LYS  30  12.076  -1.404  15.256
  224    HE3  LYS  30           HE3      LYS  30  12.966  -2.923  15.165
  225    HZ1  LYS  30           HZ1      LYS  30  13.932  -2.559  17.132
  226    HZ2  LYS  30           HZ2      LYS  30  12.696  -1.434  17.387
  227    HZ3  LYS  30           HZ3      LYS  30  14.206  -0.918  16.827
  228    H    GLY  31           H        GLY  31  12.404   3.670  14.124
  229    HA2  GLY  31           HA2      GLY  31  14.225   3.979  16.390
  230    HA3  GLY  31           HA3      GLY  31  12.783   4.934  16.078
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   1.580   2.052  -2.604
    2    HA2  GLY   1           HA2      GLY   1   1.734   2.026   0.235
    3    HA3  GLY   1           HA3      GLY   1   1.968   0.407  -0.408
    4    H    TYR   2           H        TYR   2   4.095   0.097  -0.008
    5    HA   TYR   2           HA       TYR   2   6.355   0.295  -0.180
    6    HB2  TYR   2           HB2      TYR   2   5.909   0.075  -2.562
    7    HB3  TYR   2           HB3      TYR   2   5.590   1.801  -2.691
    8    HD1  TYR   2           HD1      TYR   2   7.287   3.140  -3.493
    9    HD2  TYR   2           HD2      TYR   2   8.306  -0.494  -1.531
   10    HE1  TYR   2           HE1      TYR   2   9.661   3.547  -3.987
   11    HE2  TYR   2           HE2      TYR   2  10.684  -0.097  -2.018
   12    HH   TYR   2           HH       TYR   2  11.916   1.424  -4.047
   13    H    CYS   3           H        CYS   3   6.692   1.543   1.657
   14    HA   CYS   3           HA       CYS   3   6.796   4.452   1.311
   15    HB2  CYS   3           HB2      CYS   3   7.340   3.213   3.956
   16    HB3  CYS   3           HB3      CYS   3   6.433   4.670   3.560
   17    H    ALA   4           H        ALA   4   8.635   5.272   3.058
   18    HA   ALA   4           HA       ALA   4  11.117   4.451   1.792
   19    HB1  ALA   4           HB1      ALA   4  10.387   6.711   3.633
   20    HB2  ALA   4           HB2      ALA   4  12.056   6.362   3.180
   21    HB3  ALA   4           HB3      ALA   4  10.876   6.786   1.940
   22    H    THR   5           H        THR   5  12.063   2.691   2.604
   23    HA   THR   5           HA       THR   5  11.827   1.997   5.400
   24    HB   THR   5           HB       THR   5  13.476   0.127   4.646
   25    HG1  THR   5           HG1      THR   5  14.125   0.881   2.668
   26   HG21  THR   5          HG21      THR   5  11.569  -1.012   4.799
   27   HG22  THR   5          HG22      THR   5  11.197  -0.573   3.132
   28   HG23  THR   5          HG23      THR   5  10.639   0.446   4.458
   29    H    LYS   6           H        LYS   6  13.907   1.233   6.522
   30    HA   LYS   6           HA       LYS   6  15.494   3.361   7.182
   31    HB2  LYS   6           HB2      LYS   6  15.440   1.334   8.514
   32    HB3  LYS   6           HB3      LYS   6  16.218   0.427   7.224
   33    HG2  LYS   6           HG2      LYS   6  18.278   1.459   7.575
   34    HG3  LYS   6           HG3      LYS   6  17.558   2.789   8.486
   35    HD2  LYS   6           HD2      LYS   6  17.221   1.458  10.383
   36    HD3  LYS   6           HD3      LYS   6  17.415  -0.043   9.473
   37    HE2  LYS   6           HE2      LYS   6  19.796   0.561   9.099
   38    HE3  LYS   6           HE3      LYS   6  19.565   1.963  10.143
   39    HZ1  LYS   6           HZ1      LYS   6  18.721  -0.545  11.298
   40    HZ2  LYS   6           HZ2      LYS   6  19.635   0.706  11.976
   41    HZ3  LYS   6           HZ3      LYS   6  20.382  -0.448  10.990
   42    H    GLY   7           H        GLY   7  17.290   4.339   6.411
   43    HA2  GLY   7           HA2      GLY   7  19.263   4.547   5.157
   44    HA3  GLY   7           HA3      GLY   7  18.861   3.057   4.317
   45    H    ILE   8           H        ILE   8  16.053   4.365   4.022
   46    HA   ILE   8           HA       ILE   8  16.660   5.566   1.444
   47    HB   ILE   8           HB       ILE   8  13.947   5.041   2.657
   48   HG12  ILE   8          HG12      ILE   8  15.299   2.969   2.470
   49   HG13  ILE   8          HG13      ILE   8  13.910   2.969   1.388
   50   HG21  ILE   8          HG21      ILE   8  13.886   6.641   0.851
   51   HG22  ILE   8          HG22      ILE   8  14.837   5.567  -0.174
   52   HG23  ILE   8          HG23      ILE   8  13.202   5.110   0.303
   53   HD11  ILE   8          HD11      ILE   8  16.540   2.432   0.722
   54   HD12  ILE   8          HD12      ILE   8  15.206   2.730  -0.393
   55   HD13  ILE   8          HD13      ILE   8  16.255   4.058   0.103
   56    H    LYS   9           H        LYS   9  16.798   7.681   1.140
   57    HA   LYS   9           HA       LYS   9  16.527   9.592   3.141
   58    HB2  LYS   9           HB2      LYS   9  16.287  10.036   0.160
   59    HB3  LYS   9           HB3      LYS   9  16.674  11.260   1.362
   60    HG2  LYS   9           HG2      LYS   9  18.460   8.951   1.422
   61    HG3  LYS   9           HG3      LYS   9  18.488   9.842  -0.101
   62    HD2  LYS   9           HD2      LYS   9  18.499  11.601   2.213
   63    HD3  LYS   9           HD3      LYS   9  19.870  10.489   2.207
   64    HE2  LYS   9           HE2      LYS   9  20.846  11.534   0.484
   65    HE3  LYS   9           HE3      LYS   9  19.330  11.668  -0.405
   66    HZ1  LYS   9           HZ1      LYS   9  20.103  13.438   1.849
   67    HZ2  LYS   9           HZ2      LYS   9  18.754  13.608   0.844
   68    HZ3  LYS   9           HZ3      LYS   9  20.309  13.831   0.217
   69    H    CYS  10           H        CYS  10  14.917  10.933   3.810
   70    HA   CYS  10           HA       CYS  10  12.264  10.532   2.588
   71    HB2  CYS  10           HB2      CYS  10  11.310  10.934   4.849
   72    HB3  CYS  10           HB3      CYS  10  12.305   9.484   4.769
   73    H    ASN  11           H        ASN  11  13.614  12.455   1.431
   74    HA   ASN  11           HA       ASN  11  13.356  14.991   2.767
   75    HB2  ASN  11           HB2      ASN  11  14.354  14.051   0.122
   76    HB3  ASN  11           HB3      ASN  11  13.850  15.734   0.253
   77   HD21  ASN  11          HD21      ASN  11  16.384  15.343  -0.354
   78   HD22  ASN  11          HD22      ASN  11  17.422  15.653   0.992
   79    H    ASP  12           H        ASP  12  11.417  13.033   0.689
   80    HA   ASP  12           HA       ASP  12   9.250  14.957   0.885
   81    HB2  ASP  12           HB2      ASP  12   8.757  14.840  -1.545
   82    HB3  ASP  12           HB3      ASP  12  10.290  15.635  -1.199
   83    H    ILE  13           H        ILE  13  10.080  12.126   1.682
   84    HA   ILE  13           HA       ILE  13   7.505  10.902   1.017
   85    HB   ILE  13           HB       ILE  13   9.226   9.982  -0.541
   86   HG12  ILE  13          HG12      ILE  13   8.658   7.597   1.026
   87   HG13  ILE  13          HG13      ILE  13   7.259   8.661   0.923
   88   HG21  ILE  13          HG21      ILE  13  10.939   8.491   0.319
   89   HG22  ILE  13          HG22      ILE  13  11.136  10.108   0.993
   90   HG23  ILE  13          HG23      ILE  13  10.425   8.826   1.972
   91   HD11  ILE  13          HD11      ILE  13   7.015   7.250  -0.895
   92   HD12  ILE  13          HD12      ILE  13   7.742   8.695  -1.599
   93   HD13  ILE  13          HD13      ILE  13   8.738   7.277  -1.273
   94    H    HIS  14           H        HIS  14   6.655   9.588   2.602
   95    HA   HIS  14           HA       HIS  14   7.965   9.783   5.207
   96    HB2  HIS  14           HB2      HIS  14   5.442  10.339   4.613
   97    HB3  HIS  14           HB3      HIS  14   5.240   8.609   4.873
   98    HD1  HIS  14           HD1      HIS  14   7.202  11.236   6.817
   99    HD2  HIS  14           HD2      HIS  14   4.295   8.322   7.382
  100    HE1  HIS  14           HE1      HIS  14   6.714  11.243   9.284
  101    H    CYS  15           H        CYS  15   8.059   7.940   6.630
  102    HA   CYS  15           HA       CYS  15   8.732   5.509   5.177
  103    HB2  CYS  15           HB2      CYS  15   9.011   5.777   8.145
  104    HB3  CYS  15           HB3      CYS  15  10.025   4.900   7.004
  105    H    CYS  16           H        CYS  16   7.972   3.424   5.840
  106    HA   CYS  16           HA       CYS  16   5.182   3.307   6.213
  107    HB2  CYS  16           HB2      CYS  16   7.400   1.348   6.017
  108    HB3  CYS  16           HB3      CYS  16   5.930   0.784   6.805
  109    H    SER  17           H        SER  17   3.989   2.353   7.959
  110    HA   SER  17           HA       SER  17   4.437   3.460  10.437
  111    HB2  SER  17           HB2      SER  17   2.369   2.155   9.410
  112    HB3  SER  17           HB3      SER  17   3.054   0.814  10.329
  113    HG   SER  17           HG       SER  17   2.941   2.143  12.191
  114    H    GLY  18           H        GLY  18   6.001   3.158  11.870
  115    HA2  GLY  18           HA2      GLY  18   6.880   1.473  13.484
  116    HA3  GLY  18           HA3      GLY  18   7.193   0.461  12.082
  117    H    LEU  19           H        LEU  19   7.930   3.206  10.760
  118    HA   LEU  19           HA       LEU  19  10.696   3.216  11.775
  119    HB2  LEU  19           HB2      LEU  19   9.622   3.671   9.001
  120    HB3  LEU  19           HB3      LEU  19  11.277   4.056   9.470
  121    HG   LEU  19           HG       LEU  19  10.058   1.297   9.573
  122   HD11  LEU  19          HD11      LEU  19  12.002   2.429   7.568
  123   HD12  LEU  19          HD12      LEU  19  10.280   2.190   7.273
  124   HD13  LEU  19          HD13      LEU  19  11.321   0.803   7.591
  125   HD21  LEU  19          HD21      LEU  19  11.897   1.750  11.178
  126   HD22  LEU  19          HD22      LEU  19  12.934   2.174   9.815
  127   HD23  LEU  19          HD23      LEU  19  12.303   0.533   9.967
  128    H    LYS  20           H        LYS  20  11.856   5.267  11.580
  129    HA   LYS  20           HA       LYS  20  10.051   7.587  11.800
  130    HB2  LYS  20           HB2      LYS  20  11.794   8.525  13.380
  131    HB3  LYS  20           HB3      LYS  20  10.854   7.170  13.992
  132    HG2  LYS  20           HG2      LYS  20  12.635   5.729  13.940
  133    HG3  LYS  20           HG3      LYS  20  13.467   6.630  12.671
  134    HD2  LYS  20           HD2      LYS  20  14.391   8.114  14.141
  135    HD3  LYS  20           HD3      LYS  20  13.051   7.982  15.283
  136    HE2  LYS  20           HE2      LYS  20  14.314   5.447  15.122
  137    HE3  LYS  20           HE3      LYS  20  15.573   6.664  15.329
  138    HZ1  LYS  20           HZ1      LYS  20  13.161   6.495  17.047
  139    HZ2  LYS  20           HZ2      LYS  20  14.536   7.447  17.299
  140    HZ3  LYS  20           HZ3      LYS  20  14.637   5.764  17.434
  141    H    CYS  21           H        CYS  21  10.511   9.322  10.581
  142    HA   CYS  21           HA       CYS  21  12.683   9.126   8.683
  143    HB2  CYS  21           HB2      CYS  21  10.635   9.906   7.771
  144    HB3  CYS  21           HB3      CYS  21  10.422  11.084   9.062
  145    H    ASP  22           H        ASP  22  14.595   9.458   9.747
  146    HA   ASP  22           HA       ASP  22  15.095  11.363  11.726
  147    HB2  ASP  22           HB2      ASP  22  16.543   9.362  10.772
  148    HB3  ASP  22           HB3      ASP  22  17.260  10.643   9.800
  149    H    SER  23           H        SER  23  14.602  13.453  11.461
  150    HA   SER  23           HA       SER  23  14.802  14.810   8.960
  151    HB2  SER  23           HB2      SER  23  14.244  16.835  10.283
  152    HB3  SER  23           HB3      SER  23  13.142  15.497  10.608
  153    HG   SER  23           HG       SER  23  14.448  16.849  12.377
  154    H    LYS  24           H        LYS  24  17.068  13.983  11.309
  155    HA   LYS  24           HA       LYS  24  18.807  16.262  10.916
  156    HB2  LYS  24           HB2      LYS  24  19.264  13.641  12.353
  157    HB3  LYS  24           HB3      LYS  24  20.377  15.002  12.360
  158    HG2  LYS  24           HG2      LYS  24  17.910  16.049  13.155
  159    HG3  LYS  24           HG3      LYS  24  18.079  14.513  14.008
  160    HD2  LYS  24           HD2      LYS  24  20.286  15.210  14.815
  161    HD3  LYS  24           HD3      LYS  24  20.108  16.748  13.967
  162    HE2  LYS  24           HE2      LYS  24  19.530  17.183  16.210
  163    HE3  LYS  24           HE3      LYS  24  18.003  17.097  15.332
  164    HZ1  LYS  24           HZ1      LYS  24  19.129  14.754  16.743
  165    HZ2  LYS  24           HZ2      LYS  24  17.542  14.995  16.211
  166    HZ3  LYS  24           HZ3      LYS  24  18.135  15.875  17.528
  167    H    ARG  25           H        ARG  25  18.758  12.833  10.011
  168    HA   ARG  25           HA       ARG  25  21.037  13.300   8.223
  169    HB2  ARG  25           HB2      ARG  25  19.764  10.735   9.191
  170    HB3  ARG  25           HB3      ARG  25  21.097  10.811   8.047
  171    HG2  ARG  25           HG2      ARG  25  21.555  12.291  10.531
  172    HG3  ARG  25           HG3      ARG  25  21.359  10.549  10.736
  173    HD2  ARG  25           HD2      ARG  25  23.281  11.879   8.829
  174    HD3  ARG  25           HD3      ARG  25  23.710  11.203  10.400
  175    HE   ARG  25           HE       ARG  25  23.303   9.767   7.966
  176   HH11  ARG  25          HH11      ARG  25  23.041   9.559  11.431
  177   HH12  ARG  25          HH12      ARG  25  23.207   7.835  11.471
  178   HH21  ARG  25          HH21      ARG  25  23.522   7.497   8.005
  179   HH22  ARG  25          HH22      ARG  25  23.481   6.663   9.522
  180    H    LYS  26           H        LYS  26  17.842  13.613   8.040
  181    HA   LYS  26           HA       LYS  26  16.259  13.501   6.404
  182    HB2  LYS  26           HB2      LYS  26  18.807  13.829   4.838
  183    HB3  LYS  26           HB3      LYS  26  17.247  13.738   4.031
  184    HG2  LYS  26           HG2      LYS  26  16.486  15.719   5.078
  185    HG3  LYS  26           HG3      LYS  26  17.852  15.732   6.196
  186    HD2  LYS  26           HD2      LYS  26  18.704  15.698   3.421
  187    HD3  LYS  26           HD3      LYS  26  17.679  17.087   3.785
  188    HE2  LYS  26           HE2      LYS  26  19.984  17.675   4.171
  189    HE3  LYS  26           HE3      LYS  26  19.135  17.605   5.715
  190    HZ1  LYS  26           HZ1      LYS  26  20.039  15.340   6.002
  191    HZ2  LYS  26           HZ2      LYS  26  21.239  16.530   5.940
  192    HZ3  LYS  26           HZ3      LYS  26  20.954  15.546   4.594
  193    H    VAL  27           H        VAL  27  16.940  11.008   7.450
  194    HA   VAL  27           HA       VAL  27  16.185   9.307   5.217
  195    HB   VAL  27           HB       VAL  27  17.884   7.578   5.838
  196   HG11  VAL  27          HG11      VAL  27  18.214   8.879   3.849
  197   HG12  VAL  27          HG12      VAL  27  18.876  10.222   4.782
  198   HG13  VAL  27          HG13      VAL  27  19.767   8.704   4.666
  199   HG21  VAL  27          HG21      VAL  27  18.327   9.118   8.037
  200   HG22  VAL  27          HG22      VAL  27  19.431   7.878   7.441
  201   HG23  VAL  27          HG23      VAL  27  19.690   9.569   7.012
  202    H    CYS  28           H        CYS  28  15.261   7.301   5.863
  203    HA   CYS  28           HA       CYS  28  13.902   7.457   8.391
  204    HB2  CYS  28           HB2      CYS  28  13.872   5.290   6.279
  205    HB3  CYS  28           HB3      CYS  28  12.775   5.391   7.653
  206    H    VAL  29           H        VAL  29  14.027   5.999  10.109
  207    HA   VAL  29           HA       VAL  29  16.099   3.961  10.090
  208    HB   VAL  29           HB       VAL  29  17.085   4.817  12.226
  209   HG11  VAL  29          HG11      VAL  29  18.620   6.275  11.165
  210   HG12  VAL  29          HG12      VAL  29  18.081   5.138   9.927
  211   HG13  VAL  29          HG13      VAL  29  17.427   6.776   9.968
  212   HG21  VAL  29          HG21      VAL  29  16.803   7.293  12.617
  213   HG22  VAL  29          HG22      VAL  29  15.420   7.225  11.524
  214   HG23  VAL  29          HG23      VAL  29  15.407   6.293  13.021
  215    H    LYS  30           H        LYS  30  16.038   2.599  12.025
  216    HA   LYS  30           HA       LYS  30  13.342   2.034  12.795
  217    HB2  LYS  30           HB2      LYS  30  15.313   0.389  12.443
  218    HB3  LYS  30           HB3      LYS  30  15.767   0.815  14.088
  219    HG2  LYS  30           HG2      LYS  30  14.055  -0.332  15.005
  220    HG3  LYS  30           HG3      LYS  30  12.952   0.036  13.677
  221    HD2  LYS  30           HD2      LYS  30  14.796  -1.556  12.447
  222    HD3  LYS  30           HD3      LYS  30  14.741  -2.255  14.067
  223    HE2  LYS  30           HE2      LYS  30  12.315  -2.473  13.895
  224    HE3  LYS  30           HE3      LYS  30  12.356  -1.747  12.289
  225    HZ1  LYS  30           HZ1      LYS  30  13.827  -3.629  11.622
  226    HZ2  LYS  30           HZ2      LYS  30  12.246  -4.083  12.015
  227    HZ3  LYS  30           HZ3      LYS  30  13.501  -4.355  13.115
  228    H    GLY  31           H        GLY  31  12.265   2.640  14.571
  229    HA2  GLY  31           HA2      GLY  31  13.806   3.793  16.807
  230    HA3  GLY  31           HA3      GLY  31  12.411   4.638  16.151
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   0.432  -0.998  -0.154
    2    HA2  GLY   1           HA2      GLY   1   1.743  -0.642  -2.073
    3    HA3  GLY   1           HA3      GLY   1   1.811   0.928  -1.286
    4    H    TYR   2           H        TYR   2   3.746   1.716  -0.743
    5    HA   TYR   2           HA       TYR   2   5.946   0.125   0.071
    6    HB2  TYR   2           HB2      TYR   2   5.815  -0.284  -2.458
    7    HB3  TYR   2           HB3      TYR   2   6.337   1.387  -2.637
    8    HD1  TYR   2           HD1      TYR   2   7.318  -1.847  -1.076
    9    HD2  TYR   2           HD2      TYR   2   8.610   1.920  -2.575
   10    HE1  TYR   2           HE1      TYR   2   9.659  -2.561  -0.835
   11    HE2  TYR   2           HE2      TYR   2  10.955   1.216  -2.338
   12    HH   TYR   2           HH       TYR   2  12.338  -0.424  -1.777
   13    H    CYS   3           H        CYS   3   6.574   1.470   1.632
   14    HA   CYS   3           HA       CYS   3   6.745   4.343   1.071
   15    HB2  CYS   3           HB2      CYS   3   7.280   3.294   3.798
   16    HB3  CYS   3           HB3      CYS   3   6.399   4.735   3.298
   17    H    ALA   4           H        ALA   4   8.615   5.185   2.832
   18    HA   ALA   4           HA       ALA   4  11.070   4.236   1.586
   19    HB1  ALA   4           HB1      ALA   4  11.008   6.551   1.552
   20    HB2  ALA   4           HB2      ALA   4  10.333   6.659   3.178
   21    HB3  ALA   4           HB3      ALA   4  12.025   6.215   2.954
   22    H    THR   5           H        THR   5  11.999   2.527   2.511
   23    HA   THR   5           HA       THR   5  11.743   2.017   5.346
   24    HB   THR   5           HB       THR   5  13.357   0.071   4.715
   25    HG1  THR   5           HG1      THR   5  12.330   0.601   2.126
   26   HG21  THR   5          HG21      THR   5  11.058  -0.680   3.252
   27   HG22  THR   5          HG22      THR   5  10.526   0.430   4.516
   28   HG23  THR   5          HG23      THR   5  11.431  -1.023   4.941
   29    H    LYS   6           H        LYS   6  13.879   1.186   6.427
   30    HA   LYS   6           HA       LYS   6  15.474   3.315   7.055
   31    HB2  LYS   6           HB2      LYS   6  15.473   1.278   8.372
   32    HB3  LYS   6           HB3      LYS   6  16.214   0.384   7.051
   33    HG2  LYS   6           HG2      LYS   6  18.285   1.288   7.414
   34    HG3  LYS   6           HG3      LYS   6  17.637   2.757   8.147
   35    HD2  LYS   6           HD2      LYS   6  17.291   1.730  10.202
   36    HD3  LYS   6           HD3      LYS   6  17.293   0.109   9.502
   37    HE2  LYS   6           HE2      LYS   6  19.781   0.842   8.868
   38    HE3  LYS   6           HE3      LYS   6  19.558   1.847  10.299
   39    HZ1  LYS   6           HZ1      LYS   6  20.491  -0.210  10.984
   40    HZ2  LYS   6           HZ2      LYS   6  19.339  -1.106  10.131
   41    HZ3  LYS   6           HZ3      LYS   6  18.877  -0.211  11.490
   42    H    GLY   7           H        GLY   7  17.123   4.387   6.150
   43    HA2  GLY   7           HA2      GLY   7  19.128   4.539   4.880
   44    HA3  GLY   7           HA3      GLY   7  18.635   3.111   3.983
   45    H    ILE   8           H        ILE   8  15.863   4.477   3.857
   46    HA   ILE   8           HA       ILE   8  16.422   5.865   1.357
   47    HB   ILE   8           HB       ILE   8  13.722   5.239   2.546
   48   HG12  ILE   8          HG12      ILE   8  15.072   3.182   2.259
   49   HG13  ILE   8          HG13      ILE   8  13.695   3.236   1.164
   50   HG21  ILE   8          HG21      ILE   8  13.570   6.898   0.844
   51   HG22  ILE   8          HG22      ILE   8  14.647   5.993  -0.218
   52   HG23  ILE   8          HG23      ILE   8  13.035   5.373   0.139
   53   HD11  ILE   8          HD11      ILE   8  15.883   4.414  -0.175
   54   HD12  ILE   8          HD12      ILE   8  16.446   2.910   0.555
   55   HD13  ILE   8          HD13      ILE   8  15.060   2.896  -0.535
   56    H    LYS   9           H        LYS   9  16.058   7.993   0.981
   57    HA   LYS   9           HA       LYS   9  16.205   9.856   3.008
   58    HB2  LYS   9           HB2      LYS   9  15.074  10.146   0.222
   59    HB3  LYS   9           HB3      LYS   9  15.383  11.505   1.295
   60    HG2  LYS   9           HG2      LYS   9  17.655   9.685   0.907
   61    HG3  LYS   9           HG3      LYS   9  17.137  10.566  -0.532
   62    HD2  LYS   9           HD2      LYS   9  17.331  12.676   0.682
   63    HD3  LYS   9           HD3      LYS   9  17.819  11.803   2.137
   64    HE2  LYS   9           HE2      LYS   9  19.914  11.423   1.366
   65    HE3  LYS   9           HE3      LYS   9  19.383  11.252  -0.307
   66    HZ1  LYS   9           HZ1      LYS   9  18.918  13.862   0.209
   67    HZ2  LYS   9           HZ2      LYS   9  20.288  13.257  -0.577
   68    HZ3  LYS   9           HZ3      LYS   9  20.340  13.581   1.082
   69    H    CYS  10           H        CYS  10  14.759  11.108   4.140
   70    HA   CYS  10           HA       CYS  10  11.917  10.369   3.889
   71    HB2  CYS  10           HB2      CYS  10  11.660  10.232   6.194
   72    HB3  CYS  10           HB3      CYS  10  13.262   9.539   5.964
   73    H    ASN  11           H        ASN  11  13.837  12.713   3.082
   74    HA   ASN  11           HA       ASN  11  12.645  14.977   4.403
   75    HB2  ASN  11           HB2      ASN  11  13.950  16.265   2.631
   76    HB3  ASN  11           HB3      ASN  11  14.901  15.280   3.738
   77   HD21  ASN  11          HD21      ASN  11  13.624  15.525   0.497
   78   HD22  ASN  11          HD22      ASN  11  14.712  14.393  -0.225
   79    H    ASP  12           H        ASP  12  12.152  13.189   1.452
   80    HA   ASP  12           HA       ASP  12  10.037  15.087   0.675
   81    HB2  ASP  12           HB2      ASP  12  10.338  13.672  -1.572
   82    HB3  ASP  12           HB3      ASP  12  11.327  15.085  -1.212
   83    H    ILE  13           H        ILE  13  10.853  11.620   0.645
   84    HA   ILE  13           HA       ILE  13   8.017  10.950   0.490
   85    HB   ILE  13           HB       ILE  13   9.610   9.728  -0.947
   86   HG12  ILE  13          HG12      ILE  13   8.663   7.654   0.963
   87   HG13  ILE  13          HG13      ILE  13   7.453   8.745   0.296
   88   HG21  ILE  13          HG21      ILE  13  10.667   8.522   1.603
   89   HG22  ILE  13          HG22      ILE  13  11.212   8.196  -0.042
   90   HG23  ILE  13          HG23      ILE  13  11.493   9.779   0.682
   91   HD11  ILE  13          HD11      ILE  13   7.356   7.449  -1.488
   92   HD12  ILE  13          HD12      ILE  13   9.018   7.903  -1.868
   93   HD13  ILE  13          HD13      ILE  13   8.696   6.467  -0.897
   94    H    HIS  14           H        HIS  14   6.968   9.627   2.011
   95    HA   HIS  14           HA       HIS  14   8.035   9.897   4.716
   96    HB2  HIS  14           HB2      HIS  14   5.301   9.317   3.603
   97    HB3  HIS  14           HB3      HIS  14   5.669   9.040   5.303
   98    HD1  HIS  14           HD1      HIS  14   7.446  11.607   5.697
   99    HD2  HIS  14           HD2      HIS  14   3.682  11.513   3.942
  100    HE1  HIS  14           HE1      HIS  14   6.529  13.935   5.948
  101    H    CYS  15           H        CYS  15   8.129   8.146   6.181
  102    HA   CYS  15           HA       CYS  15   8.750   5.614   4.884
  103    HB2  CYS  15           HB2      CYS  15   9.007   6.052   7.833
  104    HB3  CYS  15           HB3      CYS  15  10.009   5.084   6.757
  105    H    CYS  16           H        CYS  16   7.953   3.587   5.718
  106    HA   CYS  16           HA       CYS  16   5.148   3.565   6.050
  107    HB2  CYS  16           HB2      CYS  16   7.316   1.544   5.991
  108    HB3  CYS  16           HB3      CYS  16   5.828   1.066   6.802
  109    H    SER  17           H        SER  17   3.900   2.838   7.836
  110    HA   SER  17           HA       SER  17   4.432   4.045  10.258
  111    HB2  SER  17           HB2      SER  17   2.631   2.652  11.191
  112    HB3  SER  17           HB3      SER  17   2.195   3.269   9.598
  113    HG   SER  17           HG       SER  17   2.073   0.815  10.309
  114    H    GLY  18           H        GLY  18   5.970   3.681  11.704
  115    HA2  GLY  18           HA2      GLY  18   6.641   1.949  13.406
  116    HA3  GLY  18           HA3      GLY  18   6.961   0.915  12.021
  117    H    LEU  19           H        LEU  19   7.970   3.397  10.571
  118    HA   LEU  19           HA       LEU  19  10.666   3.319  11.738
  119    HB2  LEU  19           HB2      LEU  19   9.698   3.878   8.945
  120    HB3  LEU  19           HB3      LEU  19  11.360   4.156   9.461
  121    HG   LEU  19           HG       LEU  19   9.992   1.469   9.534
  122   HD11  LEU  19          HD11      LEU  19  10.221   2.341   7.233
  123   HD12  LEU  19          HD12      LEU  19  11.218   0.919   7.537
  124   HD13  LEU  19          HD13      LEU  19  11.954   2.521   7.503
  125   HD21  LEU  19          HD21      LEU  19  11.916   1.914  11.101
  126   HD22  LEU  19          HD22      LEU  19  12.927   2.123   9.671
  127   HD23  LEU  19          HD23      LEU  19  12.140   0.574   9.977
  128    H    LYS  20           H        LYS  20  11.871   5.217  11.987
  129    HA   LYS  20           HA       LYS  20  10.232   7.626  12.280
  130    HB2  LYS  20           HB2      LYS  20  12.978   6.948  13.350
  131    HB3  LYS  20           HB3      LYS  20  12.142   8.468  13.635
  132    HG2  LYS  20           HG2      LYS  20  10.328   6.487  14.386
  133    HG3  LYS  20           HG3      LYS  20  11.892   5.953  15.006
  134    HD2  LYS  20           HD2      LYS  20  12.203   8.118  16.097
  135    HD3  LYS  20           HD3      LYS  20  10.649   8.665  15.465
  136    HE2  LYS  20           HE2      LYS  20   9.808   7.926  17.403
  137    HE3  LYS  20           HE3      LYS  20   9.979   6.319  16.700
  138    HZ1  LYS  20           HZ1      LYS  20  12.340   6.442  17.670
  139    HZ2  LYS  20           HZ2      LYS  20  11.052   6.127  18.719
  140    HZ3  LYS  20           HZ3      LYS  20  11.724   7.678  18.646
  141    H    CYS  21           H        CYS  21  10.827   9.613  11.401
  142    HA   CYS  21           HA       CYS  21  12.510   9.410   9.021
  143    HB2  CYS  21           HB2      CYS  21  10.378  10.347   8.551
  144    HB3  CYS  21           HB3      CYS  21  10.466  11.429   9.937
  145    H    ASP  22           H        ASP  22  14.593   9.570   9.754
  146    HA   ASP  22           HA       ASP  22  15.513  11.323  11.739
  147    HB2  ASP  22           HB2      ASP  22  16.667   9.287  10.541
  148    HB3  ASP  22           HB3      ASP  22  17.282  10.532   9.457
  149    H    SER  23           H        SER  23  15.008  13.439  11.590
  150    HA   SER  23           HA       SER  23  15.044  14.885   9.126
  151    HB2  SER  23           HB2      SER  23  14.593  15.576  12.001
  152    HB3  SER  23           HB3      SER  23  14.937  16.878  10.862
  153    HG   SER  23           HG       SER  23  12.695  16.474  11.034
  154    H    LYS  24           H        LYS  24  17.448  13.921  11.283
  155    HA   LYS  24           HA       LYS  24  19.217  16.167  10.814
  156    HB2  LYS  24           HB2      LYS  24  19.754  13.513  12.162
  157    HB3  LYS  24           HB3      LYS  24  20.826  14.907  12.171
  158    HG2  LYS  24           HG2      LYS  24  18.982  16.183  13.308
  159    HG3  LYS  24           HG3      LYS  24  18.136  14.644  13.485
  160    HD2  LYS  24           HD2      LYS  24  19.407  14.054  15.220
  161    HD3  LYS  24           HD3      LYS  24  20.892  14.452  14.352
  162    HE2  LYS  24           HE2      LYS  24  19.112  16.454  15.737
  163    HE3  LYS  24           HE3      LYS  24  20.582  15.769  16.427
  164    HZ1  LYS  24           HZ1      LYS  24  21.218  17.809  15.515
  165    HZ2  LYS  24           HZ2      LYS  24  20.324  17.574  14.099
  166    HZ3  LYS  24           HZ3      LYS  24  21.727  16.669  14.373
  167    H    ARG  25           H        ARG  25  18.969  12.770   9.843
  168    HA   ARG  25           HA       ARG  25  21.176  13.166   7.952
  169    HB2  ARG  25           HB2      ARG  25  19.806  10.648   8.912
  170    HB3  ARG  25           HB3      ARG  25  21.081  10.683   7.702
  171    HG2  ARG  25           HG2      ARG  25  22.603  11.669   9.365
  172    HG3  ARG  25           HG3      ARG  25  21.323  11.549  10.574
  173    HD2  ARG  25           HD2      ARG  25  21.277   9.129  10.305
  174    HD3  ARG  25           HD3      ARG  25  22.517   9.233   9.056
  175    HE   ARG  25           HE       ARG  25  24.095   9.406  10.699
  176   HH11  ARG  25          HH11      ARG  25  20.969  10.116  12.058
  177   HH12  ARG  25          HH12      ARG  25  21.550  10.191  13.688
  178   HH21  ARG  25          HH21      ARG  25  24.872   9.502  12.841
  179   HH22  ARG  25          HH22      ARG  25  23.770   9.842  14.133
  180    H    LYS  26           H        LYS  26  17.972  13.607   7.962
  181    HA   LYS  26           HA       LYS  26  16.308  13.630   6.405
  182    HB2  LYS  26           HB2      LYS  26  18.657  13.742   4.504
  183    HB3  LYS  26           HB3      LYS  26  16.999  14.179   4.111
  184    HG2  LYS  26           HG2      LYS  26  17.067  16.041   5.614
  185    HG3  LYS  26           HG3      LYS  26  18.647  15.547   6.226
  186    HD2  LYS  26           HD2      LYS  26  18.287  16.091   3.309
  187    HD3  LYS  26           HD3      LYS  26  18.470  17.438   4.436
  188    HE2  LYS  26           HE2      LYS  26  20.485  15.802   5.234
  189    HE3  LYS  26           HE3      LYS  26  20.438  15.462   3.505
  190    HZ1  LYS  26           HZ1      LYS  26  20.633  17.842   3.081
  191    HZ2  LYS  26           HZ2      LYS  26  21.946  17.273   3.983
  192    HZ3  LYS  26           HZ3      LYS  26  20.714  18.148   4.743
  193    H    VAL  27           H        VAL  27  16.871  11.083   7.308
  194    HA   VAL  27           HA       VAL  27  15.998   9.510   5.026
  195    HB   VAL  27           HB       VAL  27  17.631   7.665   5.645
  196   HG11  VAL  27          HG11      VAL  27  18.683  10.216   4.429
  197   HG12  VAL  27          HG12      VAL  27  19.449   8.633   4.281
  198   HG13  VAL  27          HG13      VAL  27  17.851   8.910   3.585
  199   HG21  VAL  27          HG21      VAL  27  19.388   8.013   7.040
  200   HG22  VAL  27          HG22      VAL  27  19.492   9.733   6.661
  201   HG23  VAL  27          HG23      VAL  27  18.255   9.149   7.774
  202    H    CYS  28           H        CYS  28  15.293   7.307   5.698
  203    HA   CYS  28           HA       CYS  28  13.816   7.498   8.179
  204    HB2  CYS  28           HB2      CYS  28  13.863   5.268   6.134
  205    HB3  CYS  28           HB3      CYS  28  12.693   5.464   7.435
  206    H    VAL  29           H        VAL  29  14.043   6.204   9.966
  207    HA   VAL  29           HA       VAL  29  16.202   4.220   9.973
  208    HB   VAL  29           HB       VAL  29  17.003   5.055  12.164
  209   HG11  VAL  29          HG11      VAL  29  18.000   5.701   9.919
  210   HG12  VAL  29          HG12      VAL  29  17.180   7.250  10.119
  211   HG13  VAL  29          HG13      VAL  29  18.397   6.737  11.289
  212   HG21  VAL  29          HG21      VAL  29  16.354   7.195  13.006
  213   HG22  VAL  29          HG22      VAL  29  15.357   7.513  11.586
  214   HG23  VAL  29          HG23      VAL  29  14.885   6.259  12.733
  215    H    LYS  30           H        LYS  30  16.190   2.982  12.111
  216    HA   LYS  30           HA       LYS  30  13.578   1.906  12.492
  217    HB2  LYS  30           HB2      LYS  30  15.918   0.758  12.683
  218    HB3  LYS  30           HB3      LYS  30  15.870   1.340  14.342
  219    HG2  LYS  30           HG2      LYS  30  14.659  -0.417  14.913
  220    HG3  LYS  30           HG3      LYS  30  13.383   0.107  13.811
  221    HD2  LYS  30           HD2      LYS  30  14.451  -1.096  11.980
  222    HD3  LYS  30           HD3      LYS  30  15.764  -1.587  13.053
  223    HE2  LYS  30           HE2      LYS  30  13.519  -2.395  14.418
  224    HE3  LYS  30           HE3      LYS  30  13.081  -2.693  12.736
  225    HZ1  LYS  30           HZ1      LYS  30  15.432  -3.768  12.662
  226    HZ2  LYS  30           HZ2      LYS  30  14.124  -4.637  13.289
  227    HZ3  LYS  30           HZ3      LYS  30  15.227  -3.898  14.337
  228    H    GLY  31           H        GLY  31  12.213   2.030  14.251
  229    HA2  GLY  31           HA2      GLY  31  12.774   4.267  16.090
  230    HA3  GLY  31           HA3      GLY  31  11.168   3.719  15.630
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.095   1.194   0.025
    2    HA2  GLY   1           HA2      GLY   1   1.809  -0.599  -2.173
    3    HA3  GLY   1           HA3      GLY   1   2.030   1.144  -2.143
    4    H    TYR   2           H        TYR   2   3.851   2.025  -1.120
    5    HA   TYR   2           HA       TYR   2   5.799   0.362   0.160
    6    HB2  TYR   2           HB2      TYR   2   6.122  -0.186  -2.269
    7    HB3  TYR   2           HB3      TYR   2   6.546   1.501  -2.538
    8    HD1  TYR   2           HD1      TYR   2   7.489  -1.090  -0.004
    9    HD2  TYR   2           HD2      TYR   2   8.807   1.805  -2.830
   10    HE1  TYR   2           HE1      TYR   2   9.824  -1.591   0.581
   11    HE2  TYR   2           HE2      TYR   2  11.146   1.312  -2.253
   12    HH   TYR   2           HH       TYR   2  11.999  -1.349  -0.153
   13    H    CYS   3           H        CYS   3   6.553   1.635   1.704
   14    HA   CYS   3           HA       CYS   3   6.679   4.528   1.243
   15    HB2  CYS   3           HB2      CYS   3   7.213   3.394   3.937
   16    HB3  CYS   3           HB3      CYS   3   6.312   4.836   3.480
   17    H    ALA   4           H        ALA   4   8.524   5.333   3.054
   18    HA   ALA   4           HA       ALA   4  10.999   4.506   1.775
   19    HB1  ALA   4           HB1      ALA   4  11.887   6.396   3.347
   20    HB2  ALA   4           HB2      ALA   4  10.955   6.802   1.905
   21    HB3  ALA   4           HB3      ALA   4  10.177   6.806   3.488
   22    H    THR   5           H        THR   5  11.957   2.751   2.577
   23    HA   THR   5           HA       THR   5  11.707   2.036   5.369
   24    HB   THR   5           HB       THR   5  13.343   0.159   4.603
   25    HG1  THR   5           HG1      THR   5  14.012   0.819   2.631
   26   HG21  THR   5          HG21      THR   5  10.509   0.497   4.427
   27   HG22  THR   5          HG22      THR   5  11.431  -0.973   4.745
   28   HG23  THR   5          HG23      THR   5  11.054  -0.510   3.086
   29    H    LYS   6           H        LYS   6  13.787   1.246   6.479
   30    HA   LYS   6           HA       LYS   6  15.391   3.368   7.140
   31    HB2  LYS   6           HB2      LYS   6  16.749   1.864   8.323
   32    HB3  LYS   6           HB3      LYS   6  15.179   1.073   8.270
   33    HG2  LYS   6           HG2      LYS   6  15.949  -0.312   6.401
   34    HG3  LYS   6           HG3      LYS   6  17.529   0.470   6.484
   35    HD2  LYS   6           HD2      LYS   6  17.657  -0.312   8.880
   36    HD3  LYS   6           HD3      LYS   6  16.221  -1.287   8.553
   37    HE2  LYS   6           HE2      LYS   6  18.896  -1.479   7.172
   38    HE3  LYS   6           HE3      LYS   6  18.203  -2.645   8.299
   39    HZ1  LYS   6           HZ1      LYS   6  17.479  -3.647   6.455
   40    HZ2  LYS   6           HZ2      LYS   6  17.688  -2.277   5.487
   41    HZ3  LYS   6           HZ3      LYS   6  16.286  -2.448   6.418
   42    H    GLY   7           H        GLY   7  17.277   4.257   6.433
   43    HA2  GLY   7           HA2      GLY   7  19.211   4.488   5.153
   44    HA3  GLY   7           HA3      GLY   7  18.839   2.964   4.361
   45    H    ILE   8           H        ILE   8  16.029   4.508   4.153
   46    HA   ILE   8           HA       ILE   8  16.646   5.525   1.477
   47    HB   ILE   8           HB       ILE   8  13.935   5.024   2.707
   48   HG12  ILE   8          HG12      ILE   8  15.300   2.956   2.515
   49   HG13  ILE   8          HG13      ILE   8  13.891   2.943   1.459
   50   HG21  ILE   8          HG21      ILE   8  14.886   5.897   0.025
   51   HG22  ILE   8          HG22      ILE   8  13.443   4.889   0.130
   52   HG23  ILE   8          HG23      ILE   8  13.495   6.443   0.963
   53   HD11  ILE   8          HD11      ILE   8  16.584   2.518   0.777
   54   HD12  ILE   8          HD12      ILE   8  15.183   2.580  -0.293
   55   HD13  ILE   8          HD13      ILE   8  16.103   4.047   0.042
   56    H    LYS   9           H        LYS   9  16.579   7.623   0.983
   57    HA   LYS   9           HA       LYS   9  16.504   9.632   2.895
   58    HB2  LYS   9           HB2      LYS   9  15.934   9.811  -0.069
   59    HB3  LYS   9           HB3      LYS   9  16.231  11.195   0.974
   60    HG2  LYS   9           HG2      LYS   9  18.281   9.082   1.034
   61    HG3  LYS   9           HG3      LYS   9  18.132   9.978  -0.479
   62    HD2  LYS   9           HD2      LYS   9  18.143  12.067   1.081
   63    HD3  LYS   9           HD3      LYS   9  18.875  10.961   2.247
   64    HE2  LYS   9           HE2      LYS   9  20.222  10.534  -0.175
   65    HE3  LYS   9           HE3      LYS   9  20.062  12.283  -0.015
   66    HZ1  LYS   9           HZ1      LYS   9  21.396  12.334   1.794
   67    HZ2  LYS   9           HZ2      LYS   9  22.038  10.940   1.085
   68    HZ3  LYS   9           HZ3      LYS   9  20.923  10.808   2.350
   69    H    CYS  10           H        CYS  10  14.949  10.877   3.787
   70    HA   CYS  10           HA       CYS  10  12.179  10.448   2.876
   71    HB2  CYS  10           HB2      CYS  10  11.406  10.480   5.133
   72    HB3  CYS  10           HB3      CYS  10  12.757   9.353   5.079
   73    H    ASN  11           H        ASN  11  14.139  12.549   2.181
   74    HA   ASN  11           HA       ASN  11  13.667  14.952   3.509
   75    HB2  ASN  11           HB2      ASN  11  14.193  14.582   0.551
   76    HB3  ASN  11           HB3      ASN  11  14.462  16.053   1.483
   77   HD21  ASN  11          HD21      ASN  11  16.502  16.387   1.934
   78   HD22  ASN  11          HD22      ASN  11  17.695  15.176   2.244
   79    H    ASP  12           H        ASP  12  11.648  13.148   1.380
   80    HA   ASP  12           HA       ASP  12   9.578  15.202   1.635
   81    HB2  ASP  12           HB2      ASP  12   8.941  14.523  -0.815
   82    HB3  ASP  12           HB3      ASP  12  10.191  15.733  -0.535
   83    H    ILE  13           H        ILE  13  10.395  11.883   0.727
   84    HA   ILE  13           HA       ILE  13   7.670  10.977   0.996
   85    HB   ILE  13           HB       ILE  13   9.277   9.946  -0.611
   86   HG12  ILE  13          HG12      ILE  13   8.624   7.592  -0.091
   87   HG13  ILE  13          HG13      ILE  13   8.058   8.136   1.485
   88   HG21  ILE  13          HG21      ILE  13  11.247   9.997   0.862
   89   HG22  ILE  13          HG22      ILE  13  10.511   8.748   1.865
   90   HG23  ILE  13          HG23      ILE  13  10.953   8.392   0.196
   91   HD11  ILE  13          HD11      ILE  13   6.820   9.797  -0.400
   92   HD12  ILE  13          HD12      ILE  13   6.706   8.153  -1.030
   93   HD13  ILE  13          HD13      ILE  13   6.085   8.526   0.577
   94    H    HIS  14           H        HIS  14   6.815   9.715   2.625
   95    HA   HIS  14           HA       HIS  14   8.224   9.879   5.181
   96    HB2  HIS  14           HB2      HIS  14   5.713  10.552   4.671
   97    HB3  HIS  14           HB3      HIS  14   5.434   8.836   4.952
   98    HD1  HIS  14           HD1      HIS  14   5.047   8.207   7.313
   99    HD2  HIS  14           HD2      HIS  14   7.118  11.794   6.986
  100    HE1  HIS  14           HE1      HIS  14   5.292   9.059   9.666
  101    H    CYS  15           H        CYS  15   8.195   8.037   6.647
  102    HA   CYS  15           HA       CYS  15   8.774   5.573   5.209
  103    HB2  CYS  15           HB2      CYS  15   9.027   5.838   8.180
  104    HB3  CYS  15           HB3      CYS  15  10.015   4.912   7.054
  105    H    CYS  16           H        CYS  16   7.902   3.531   5.843
  106    HA   CYS  16           HA       CYS  16   5.112   3.530   6.178
  107    HB2  CYS  16           HB2      CYS  16   7.249   1.479   6.052
  108    HB3  CYS  16           HB3      CYS  16   5.741   0.987   6.816
  109    H    SER  17           H        SER  17   3.830   2.711   7.908
  110    HA   SER  17           HA       SER  17   4.317   3.804  10.389
  111    HB2  SER  17           HB2      SER  17   2.488   2.439  11.222
  112    HB3  SER  17           HB3      SER  17   2.105   2.983   9.589
  113    HG   SER  17           HG       SER  17   1.810   0.940   9.209
  114    H    GLY  18           H        GLY  18   6.064   3.425  11.599
  115    HA2  GLY  18           HA2      GLY  18   6.675   1.629  13.325
  116    HA3  GLY  18           HA3      GLY  18   6.980   0.640  11.904
  117    H    LEU  19           H        LEU  19   7.906   3.358  10.667
  118    HA   LEU  19           HA       LEU  19  10.630   3.213  11.782
  119    HB2  LEU  19           HB2      LEU  19   9.692   3.787   8.980
  120    HB3  LEU  19           HB3      LEU  19  11.350   4.040   9.522
  121    HG   LEU  19           HG       LEU  19   9.953   1.367   9.560
  122   HD11  LEU  19          HD11      LEU  19  11.904   2.453   7.534
  123   HD12  LEU  19          HD12      LEU  19  10.178   2.212   7.266
  124   HD13  LEU  19          HD13      LEU  19  11.225   0.826   7.569
  125   HD21  LEU  19          HD21      LEU  19  12.900   1.944   9.669
  126   HD22  LEU  19          HD22      LEU  19  12.057   0.443  10.051
  127   HD23  LEU  19          HD23      LEU  19  11.907   1.837  11.123
  128    H    LYS  20           H        LYS  20  11.892   5.198  11.698
  129    HA   LYS  20           HA       LYS  20  10.187   7.582  12.001
  130    HB2  LYS  20           HB2      LYS  20  12.751   6.796  13.383
  131    HB3  LYS  20           HB3      LYS  20  12.102   8.430  13.445
  132    HG2  LYS  20           HG2      LYS  20  10.162   6.362  14.149
  133    HG3  LYS  20           HG3      LYS  20  11.557   6.442  15.228
  134    HD2  LYS  20           HD2      LYS  20  10.470   9.063  14.542
  135    HD3  LYS  20           HD3      LYS  20   9.315   8.024  15.380
  136    HE2  LYS  20           HE2      LYS  20  11.936   7.884  16.590
  137    HE3  LYS  20           HE3      LYS  20  11.350   9.545  16.523
  138    HZ1  LYS  20           HZ1      LYS  20   9.823   9.136  18.074
  139    HZ2  LYS  20           HZ2      LYS  20  10.694   7.728  18.416
  140    HZ3  LYS  20           HZ3      LYS  20   9.356   7.664  17.383
  141    H    CYS  21           H        CYS  21  10.605   9.344  10.802
  142    HA   CYS  21           HA       CYS  21  12.665   9.140   8.766
  143    HB2  CYS  21           HB2      CYS  21  10.576   9.875   7.927
  144    HB3  CYS  21           HB3      CYS  21  10.374  11.041   9.229
  145    H    ASP  22           H        ASP  22  14.623   9.539   9.697
  146    HA   ASP  22           HA       ASP  22  15.147  11.500  11.642
  147    HB2  ASP  22           HB2      ASP  22  16.582   9.467  10.746
  148    HB3  ASP  22           HB3      ASP  22  17.271  10.703   9.697
  149    H    SER  23           H        SER  23  14.607  13.569  11.286
  150    HA   SER  23           HA       SER  23  14.789  14.823   8.729
  151    HB2  SER  23           HB2      SER  23  13.105  15.645  10.197
  152    HB3  SER  23           HB3      SER  23  14.262  15.880  11.508
  153    HG   SER  23           HG       SER  23  13.600  17.806  10.262
  154    H    LYS  24           H        LYS  24  17.054  14.142  11.129
  155    HA   LYS  24           HA       LYS  24  18.759  16.426  10.626
  156    HB2  LYS  24           HB2      LYS  24  19.327  13.897  12.183
  157    HB3  LYS  24           HB3      LYS  24  20.304  15.359  12.190
  158    HG2  LYS  24           HG2      LYS  24  17.873  16.338  12.907
  159    HG3  LYS  24           HG3      LYS  24  17.838  14.730  13.635
  160    HD2  LYS  24           HD2      LYS  24  18.997  15.616  15.325
  161    HD3  LYS  24           HD3      LYS  24  20.375  15.660  14.223
  162    HE2  LYS  24           HE2      LYS  24  20.107  17.834  15.201
  163    HE3  LYS  24           HE3      LYS  24  19.652  17.923  13.500
  164    HZ1  LYS  24           HZ1      LYS  24  17.592  17.450  15.550
  165    HZ2  LYS  24           HZ2      LYS  24  17.432  18.141  14.015
  166    HZ3  LYS  24           HZ3      LYS  24  18.153  19.021  15.267
  167    H    ARG  25           H        ARG  25  18.712  12.970   9.865
  168    HA   ARG  25           HA       ARG  25  21.047  13.336   8.127
  169    HB2  ARG  25           HB2      ARG  25  19.699  10.842   9.173
  170    HB3  ARG  25           HB3      ARG  25  21.028  10.827   8.022
  171    HG2  ARG  25           HG2      ARG  25  22.444  11.974   9.676
  172    HG3  ARG  25           HG3      ARG  25  21.112  11.906  10.832
  173    HD2  ARG  25           HD2      ARG  25  21.258   9.312  10.077
  174    HD3  ARG  25           HD3      ARG  25  22.947   9.792   9.923
  175    HE   ARG  25           HE       ARG  25  21.436   9.506  12.359
  176   HH11  ARG  25          HH11      ARG  25  24.214  10.956  10.843
  177   HH12  ARG  25          HH12      ARG  25  25.085  11.153  12.328
  178   HH21  ARG  25          HH21      ARG  25  22.571   9.760  14.320
  179   HH22  ARG  25          HH22      ARG  25  24.150  10.472  14.305
  180    H    LYS  26           H        LYS  26  17.835  13.640   7.867
  181    HA   LYS  26           HA       LYS  26  16.304  13.519   6.185
  182    HB2  LYS  26           HB2      LYS  26  18.774  13.532   4.439
  183    HB3  LYS  26           HB3      LYS  26  17.143  13.947   3.929
  184    HG2  LYS  26           HG2      LYS  26  17.463  16.050   4.529
  185    HG3  LYS  26           HG3      LYS  26  17.827  15.549   6.182
  186    HD2  LYS  26           HD2      LYS  26  20.170  15.070   5.418
  187    HD3  LYS  26           HD3      LYS  26  19.752  15.823   3.878
  188    HE2  LYS  26           HE2      LYS  26  19.041  17.438   6.206
  189    HE3  LYS  26           HE3      LYS  26  20.769  17.119   6.072
  190    HZ1  LYS  26           HZ1      LYS  26  19.008  18.602   4.252
  191    HZ2  LYS  26           HZ2      LYS  26  20.359  17.813   3.610
  192    HZ3  LYS  26           HZ3      LYS  26  20.558  18.994   4.805
  193    H    VAL  27           H        VAL  27  16.966  11.045   7.323
  194    HA   VAL  27           HA       VAL  27  16.195   9.288   5.146
  195    HB   VAL  27           HB       VAL  27  17.912   7.573   5.808
  196   HG11  VAL  27          HG11      VAL  27  18.932  10.151   4.619
  197   HG12  VAL  27          HG12      VAL  27  19.705   8.573   4.465
  198   HG13  VAL  27          HG13      VAL  27  18.118   8.852   3.748
  199   HG21  VAL  27          HG21      VAL  27  19.553   7.980   7.300
  200   HG22  VAL  27          HG22      VAL  27  19.711   9.671   6.828
  201   HG23  VAL  27          HG23      VAL  27  18.418   9.178   7.921
  202    H    CYS  28           H        CYS  28  15.437   7.195   5.898
  203    HA   CYS  28           HA       CYS  28  14.049   7.438   8.416
  204    HB2  CYS  28           HB2      CYS  28  14.073   5.212   6.367
  205    HB3  CYS  28           HB3      CYS  28  13.010   5.280   7.768
  206    H    VAL  29           H        VAL  29  14.290   6.154  10.224
  207    HA   VAL  29           HA       VAL  29  16.522   4.250  10.259
  208    HB   VAL  29           HB       VAL  29  17.254   5.138  12.465
  209   HG11  VAL  29          HG11      VAL  29  18.586   6.900  11.581
  210   HG12  VAL  29          HG12      VAL  29  18.334   5.738  10.277
  211   HG13  VAL  29          HG13      VAL  29  17.408   7.239  10.314
  212   HG21  VAL  29          HG21      VAL  29  16.437   7.085  13.397
  213   HG22  VAL  29          HG22      VAL  29  15.786   7.671  11.866
  214   HG23  VAL  29          HG23      VAL  29  14.971   6.367  12.730
  215    H    LYS  30           H        LYS  30  16.538   2.981  12.352
  216    HA   LYS  30           HA       LYS  30  14.179   1.589  12.685
  217    HB2  LYS  30           HB2      LYS  30  16.485   0.885  13.423
  218    HB3  LYS  30           HB3      LYS  30  16.281   1.923  14.828
  219    HG2  LYS  30           HG2      LYS  30  13.994   0.323  14.755
  220    HG3  LYS  30           HG3      LYS  30  15.341  -0.754  14.379
  221    HD2  LYS  30           HD2      LYS  30  16.357  -0.414  16.418
  222    HD3  LYS  30           HD3      LYS  30  15.605   1.166  16.648
  223    HE2  LYS  30           HE2      LYS  30  13.531   0.198  17.235
  224    HE3  LYS  30           HE3      LYS  30  14.026  -1.393  16.659
  225    HZ1  LYS  30           HZ1      LYS  30  14.041  -0.966  19.159
  226    HZ2  LYS  30           HZ2      LYS  30  15.446  -0.068  18.882
  227    HZ3  LYS  30           HZ3      LYS  30  15.402  -1.712  18.486
  228    H    GLY  31           H        GLY  31  12.417   1.729  13.993
  229    HA2  GLY  31           HA2      GLY  31  12.030   4.284  15.357
  230    HA3  GLY  31           HA3      GLY  31  10.778   3.114  14.964
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   1.540   2.816   0.514
    2    HA2  GLY   1           HA2      GLY   1   2.025   0.357   0.429
    3    HA3  GLY   1           HA3      GLY   1   1.580   0.458  -1.268
    4    H    TYR   2           H        TYR   2   4.115  -0.321   0.132
    5    HA   TYR   2           HA       TYR   2   6.363  -0.090  -0.135
    6    HB2  TYR   2           HB2      TYR   2   5.858  -0.454  -2.474
    7    HB3  TYR   2           HB3      TYR   2   5.440   1.242  -2.688
    8    HD1  TYR   2           HD1      TYR   2   8.350  -0.645  -1.274
    9    HD2  TYR   2           HD2      TYR   2   7.000   2.427  -3.890
   10    HE1  TYR   2           HE1      TYR   2  10.680  -0.156  -1.892
   11    HE2  TYR   2           HE2      TYR   2   9.326   2.924  -4.516
   12    HH   TYR   2           HH       TYR   2  11.459   2.376  -4.261
   13    H    CYS   3           H        CYS   3   6.668   1.276   1.648
   14    HA   CYS   3           HA       CYS   3   6.773   4.156   1.108
   15    HB2  CYS   3           HB2      CYS   3   7.318   3.101   3.831
   16    HB3  CYS   3           HB3      CYS   3   6.406   4.523   3.336
   17    H    ALA   4           H        ALA   4   8.612   5.071   2.826
   18    HA   ALA   4           HA       ALA   4  11.093   4.191   1.599
   19    HB1  ALA   4           HB1      ALA   4  10.310   6.551   3.272
   20    HB2  ALA   4           HB2      ALA   4  12.006   6.165   2.977
   21    HB3  ALA   4           HB3      ALA   4  10.932   6.513   1.622
   22    H    THR   5           H        THR   5  12.087   2.502   2.488
   23    HA   THR   5           HA       THR   5  11.834   1.914   5.309
   24    HB   THR   5           HB       THR   5  13.518   0.040   4.633
   25    HG1  THR   5           HG1      THR   5  13.485  -0.405   2.406
   26   HG21  THR   5          HG21      THR   5  11.633  -1.127   4.842
   27   HG22  THR   5          HG22      THR   5  11.239  -0.757   3.163
   28   HG23  THR   5          HG23      THR   5  10.677   0.303   4.456
   29    H    LYS   6           H        LYS   6  13.970   1.154   6.407
   30    HA   LYS   6           HA       LYS   6  15.504   3.327   7.053
   31    HB2  LYS   6           HB2      LYS   6  16.928   1.874   8.212
   32    HB3  LYS   6           HB3      LYS   6  15.400   1.005   8.156
   33    HG2  LYS   6           HG2      LYS   6  16.228  -0.310   6.259
   34    HG3  LYS   6           HG3      LYS   6  17.770   0.544   6.357
   35    HD2  LYS   6           HD2      LYS   6  18.419  -1.089   7.738
   36    HD3  LYS   6           HD3      LYS   6  17.367  -0.337   8.939
   37    HE2  LYS   6           HE2      LYS   6  15.676  -1.871   8.611
   38    HE3  LYS   6           HE3      LYS   6  16.212  -2.269   6.980
   39    HZ1  LYS   6           HZ1      LYS   6  18.297  -3.123   8.343
   40    HZ2  LYS   6           HZ2      LYS   6  16.949  -4.102   8.049
   41    HZ3  LYS   6           HZ3      LYS   6  17.119  -3.324   9.542
   42    H    GLY   7           H        GLY   7  17.308   4.321   6.298
   43    HA2  GLY   7           HA2      GLY   7  19.264   4.558   5.016
   44    HA3  GLY   7           HA3      GLY   7  18.837   3.098   4.136
   45    H    ILE   8           H        ILE   8  16.031   4.388   3.911
   46    HA   ILE   8           HA       ILE   8  16.603   5.704   1.382
   47    HB   ILE   8           HB       ILE   8  13.903   5.103   2.588
   48   HG12  ILE   8          HG12      ILE   8  15.270   3.051   2.332
   49   HG13  ILE   8          HG13      ILE   8  13.884   3.074   1.248
   50   HG21  ILE   8          HG21      ILE   8  14.851   5.969  -0.118
   51   HG22  ILE   8          HG22      ILE   8  13.327   5.104   0.078
   52   HG23  ILE   8          HG23      ILE   8  13.572   6.653   0.886
   53   HD11  ILE   8          HD11      ILE   8  16.084   4.242  -0.106
   54   HD12  ILE   8          HD12      ILE   8  16.612   2.721   0.615
   55   HD13  ILE   8          HD13      ILE   8  15.224   2.747  -0.473
   56    H    LYS   9           H        LYS   9  16.460   7.829   1.018
   57    HA   LYS   9           HA       LYS   9  16.441   9.721   3.024
   58    HB2  LYS   9           HB2      LYS   9  15.551  10.107   0.160
   59    HB3  LYS   9           HB3      LYS   9  16.039  11.387   1.262
   60    HG2  LYS   9           HG2      LYS   9  17.913   9.143   0.647
   61    HG3  LYS   9           HG3      LYS   9  17.723  10.486  -0.483
   62    HD2  LYS   9           HD2      LYS   9  18.009  11.776   1.916
   63    HD3  LYS   9           HD3      LYS   9  19.074  10.383   2.111
   64    HE2  LYS   9           HE2      LYS   9  20.356  12.178   1.185
   65    HE3  LYS   9           HE3      LYS   9  20.121  10.966  -0.074
   66    HZ1  LYS   9           HZ1      LYS   9  18.004  12.793  -0.201
   67    HZ2  LYS   9           HZ2      LYS   9  19.216  12.513  -1.347
   68    HZ3  LYS   9           HZ3      LYS   9  19.445  13.677  -0.141
   69    H    CYS  10           H        CYS  10  14.926  10.985   4.014
   70    HA   CYS  10           HA       CYS  10  12.105  10.389   3.403
   71    HB2  CYS  10           HB2      CYS  10  11.561  10.291   5.670
   72    HB3  CYS  10           HB3      CYS  10  13.117   9.468   5.606
   73    H    ASN  11           H        ASN  11  14.160  12.634   2.783
   74    HA   ASN  11           HA       ASN  11  13.333  14.992   4.043
   75    HB2  ASN  11           HB2      ASN  11  15.378  14.835   2.687
   76    HB3  ASN  11           HB3      ASN  11  14.403  14.637   1.234
   77   HD21  ASN  11          HD21      ASN  11  15.242  16.464   0.267
   78   HD22  ASN  11          HD22      ASN  11  14.842  18.060   0.793
   79    H    ASP  12           H        ASP  12  11.777  13.046   1.690
   80    HA   ASP  12           HA       ASP  12   9.612  15.015   1.511
   81    HB2  ASP  12           HB2      ASP  12  11.180  14.941  -0.565
   82    HB3  ASP  12           HB3      ASP  12  10.373  13.414  -0.913
   83    H    ILE  13           H        ILE  13  10.528  11.697   0.583
   84    HA   ILE  13           HA       ILE  13   7.837  10.740   0.759
   85    HB   ILE  13           HB       ILE  13   9.560   9.726  -0.730
   86   HG12  ILE  13          HG12      ILE  13   8.746   7.500   1.055
   87   HG13  ILE  13          HG13      ILE  13   7.457   8.548   0.473
   88   HG21  ILE  13          HG21      ILE  13  10.650   8.503   1.799
   89   HG22  ILE  13          HG22      ILE  13  11.241   8.264   0.156
   90   HG23  ILE  13          HG23      ILE  13  11.408   9.838   0.931
   91   HD11  ILE  13          HD11      ILE  13   7.587   7.752  -1.617
   92   HD12  ILE  13          HD12      ILE  13   9.347   7.635  -1.578
   93   HD13  ILE  13          HD13      ILE  13   8.362   6.375  -0.834
   94    H    HIS  14           H        HIS  14   6.901   9.449   2.326
   95    HA   HIS  14           HA       HIS  14   8.115   9.663   4.976
   96    HB2  HIS  14           HB2      HIS  14   5.862   8.995   5.795
   97    HB3  HIS  14           HB3      HIS  14   5.834  10.456   4.812
   98    HD1  HIS  14           HD1      HIS  14   4.025  10.491   3.138
   99    HD2  HIS  14           HD2      HIS  14   5.179   6.610   4.071
  100    HE1  HIS  14           HE1      HIS  14   2.490   8.998   1.820
  101    H    CYS  15           H        CYS  15   8.178   7.854   6.417
  102    HA   CYS  15           HA       CYS  15   8.809   5.376   5.026
  103    HB2  CYS  15           HB2      CYS  15   9.069   5.695   7.989
  104    HB3  CYS  15           HB3      CYS  15  10.081   4.787   6.870
  105    H    CYS  16           H        CYS  16   8.003   3.322   5.740
  106    HA   CYS  16           HA       CYS  16   5.209   3.265   6.077
  107    HB2  CYS  16           HB2      CYS  16   7.394   1.265   5.980
  108    HB3  CYS  16           HB3      CYS  16   5.907   0.752   6.772
  109    H    SER  17           H        SER  17   3.964   2.422   7.834
  110    HA   SER  17           HA       SER  17   4.417   3.595  10.284
  111    HB2  SER  17           HB2      SER  17   2.633   2.220  11.152
  112    HB3  SER  17           HB3      SER  17   2.241   2.638   9.484
  113    HG   SER  17           HG       SER  17   3.119   0.177  10.540
  114    H    GLY  18           H        GLY  18   6.118   3.309  11.570
  115    HA2  GLY  18           HA2      GLY  18   6.822   1.581  13.307
  116    HA3  GLY  18           HA3      GLY  18   7.174   0.576  11.909
  117    H    LEU  19           H        LEU  19   8.008   3.250  10.573
  118    HA   LEU  19           HA       LEU  19  10.725   3.260  11.710
  119    HB2  LEU  19           HB2      LEU  19   9.782   3.763   8.894
  120    HB3  LEU  19           HB3      LEU  19  11.434   4.040   9.444
  121    HG   LEU  19           HG       LEU  19  10.067   1.353   9.509
  122   HD11  LEU  19          HD11      LEU  19  12.001   2.447   7.471
  123   HD12  LEU  19          HD12      LEU  19  10.282   2.155   7.206
  124   HD13  LEU  19          HD13      LEU  19  11.366   0.802   7.531
  125   HD21  LEU  19          HD21      LEU  19  12.139   0.458  10.078
  126   HD22  LEU  19          HD22      LEU  19  12.044   1.925  11.054
  127   HD23  LEU  19          HD23      LEU  19  13.012   1.907   9.579
  128    H    LYS  20           H        LYS  20  11.880   5.266  11.724
  129    HA   LYS  20           HA       LYS  20  10.089   7.586  11.968
  130    HB2  LYS  20           HB2      LYS  20  12.740   6.946  13.258
  131    HB3  LYS  20           HB3      LYS  20  12.015   8.547  13.325
  132    HG2  LYS  20           HG2      LYS  20  10.614   6.070  14.291
  133    HG3  LYS  20           HG3      LYS  20  11.625   7.081  15.326
  134    HD2  LYS  20           HD2      LYS  20   9.828   8.339  15.710
  135    HD3  LYS  20           HD3      LYS  20   9.908   8.855  14.023
  136    HE2  LYS  20           HE2      LYS  20   7.782   8.042  14.050
  137    HE3  LYS  20           HE3      LYS  20   8.641   6.554  13.655
  138    HZ1  LYS  20           HZ1      LYS  20   8.139   5.648  15.626
  139    HZ2  LYS  20           HZ2      LYS  20   6.907   6.805  15.678
  140    HZ3  LYS  20           HZ3      LYS  20   8.367   7.088  16.484
  141    H    CYS  21           H        CYS  21  10.682   9.587  11.088
  142    HA   CYS  21           HA       CYS  21  12.462   9.373   8.781
  143    HB2  CYS  21           HB2      CYS  21  10.316  10.248   8.226
  144    HB3  CYS  21           HB3      CYS  21  10.354  11.382   9.572
  145    H    ASP  22           H        ASP  22  14.501   9.566   9.655
  146    HA   ASP  22           HA       ASP  22  15.304  11.388  11.615
  147    HB2  ASP  22           HB2      ASP  22  16.544   9.355  10.462
  148    HB3  ASP  22           HB3      ASP  22  17.204  10.627   9.438
  149    H    SER  23           H        SER  23  14.768  13.490  11.409
  150    HA   SER  23           HA       SER  23  14.875  14.892   8.919
  151    HB2  SER  23           HB2      SER  23  13.265  15.566  10.607
  152    HB3  SER  23           HB3      SER  23  14.559  15.893  11.759
  153    HG   SER  23           HG       SER  23  14.183  17.844  10.926
  154    H    LYS  24           H        LYS  24  17.201  14.025  11.200
  155    HA   LYS  24           HA       LYS  24  18.939  16.302  10.763
  156    HB2  LYS  24           HB2      LYS  24  19.179  13.752  12.341
  157    HB3  LYS  24           HB3      LYS  24  20.567  14.803  12.091
  158    HG2  LYS  24           HG2      LYS  24  19.505  16.602  13.241
  159    HG3  LYS  24           HG3      LYS  24  17.976  15.723  13.313
  160    HD2  LYS  24           HD2      LYS  24  18.885  15.447  15.447
  161    HD3  LYS  24           HD3      LYS  24  19.292  13.943  14.617
  162    HE2  LYS  24           HE2      LYS  24  21.251  14.613  15.754
  163    HE3  LYS  24           HE3      LYS  24  21.516  15.007  14.056
  164    HZ1  LYS  24           HZ1      LYS  24  22.062  17.013  14.820
  165    HZ2  LYS  24           HZ2      LYS  24  21.362  16.749  16.336
  166    HZ3  LYS  24           HZ3      LYS  24  20.404  17.267  15.042
  167    H    ARG  25           H        ARG  25  18.816  12.878   9.861
  168    HA   ARG  25           HA       ARG  25  21.095  13.289   8.060
  169    HB2  ARG  25           HB2      ARG  25  19.739  10.741   8.962
  170    HB3  ARG  25           HB3      ARG  25  21.123  10.820   7.880
  171    HG2  ARG  25           HG2      ARG  25  21.704  12.297  10.253
  172    HG3  ARG  25           HG3      ARG  25  21.115  10.692  10.688
  173    HD2  ARG  25           HD2      ARG  25  22.757   9.773   9.001
  174    HD3  ARG  25           HD3      ARG  25  23.443  11.395   8.916
  175    HE   ARG  25           HE       ARG  25  23.280  10.463  11.601
  176   HH11  ARG  25          HH11      ARG  25  25.136  10.204   8.667
  177   HH12  ARG  25          HH12      ARG  25  26.607   9.784   9.481
  178   HH21  ARG  25          HH21      ARG  25  25.210   9.912  12.684
  179   HH22  ARG  25          HH22      ARG  25  26.648   9.618  11.765
  180    H    LYS  26           H        LYS  26  17.881  13.645   7.920
  181    HA   LYS  26           HA       LYS  26  16.288  13.589   6.292
  182    HB2  LYS  26           HB2      LYS  26  18.733  13.752   4.520
  183    HB3  LYS  26           HB3      LYS  26  17.085  14.083   4.004
  184    HG2  LYS  26           HG2      LYS  26  18.164  15.602   6.318
  185    HG3  LYS  26           HG3      LYS  26  18.733  16.014   4.699
  186    HD2  LYS  26           HD2      LYS  26  16.611  16.646   3.980
  187    HD3  LYS  26           HD3      LYS  26  15.803  15.744   5.264
  188    HE2  LYS  26           HE2      LYS  26  16.099  17.398   6.797
  189    HE3  LYS  26           HE3      LYS  26  17.625  17.928   6.091
  190    HZ1  LYS  26           HZ1      LYS  26  16.188  18.772   4.183
  191    HZ2  LYS  26           HZ2      LYS  26  16.144  19.643   5.633
  192    HZ3  LYS  26           HZ3      LYS  26  14.877  18.594   5.237
  193    H    VAL  27           H        VAL  27  16.852  11.081   7.270
  194    HA   VAL  27           HA       VAL  27  16.147   9.439   4.979
  195    HB   VAL  27           HB       VAL  27  17.780   7.650   5.692
  196   HG11  VAL  27          HG11      VAL  27  19.681   8.673   4.485
  197   HG12  VAL  27          HG12      VAL  27  18.137   8.916   3.667
  198   HG13  VAL  27          HG13      VAL  27  18.869  10.235   4.583
  199   HG21  VAL  27          HG21      VAL  27  19.529   9.730   6.862
  200   HG22  VAL  27          HG22      VAL  27  18.214   9.135   7.875
  201   HG23  VAL  27          HG23      VAL  27  19.408   8.009   7.231
  202    H    CYS  28           H        CYS  28  15.448   7.239   5.657
  203    HA   CYS  28           HA       CYS  28  13.834   7.447   8.050
  204    HB2  CYS  28           HB2      CYS  28  14.030   5.323   5.908
  205    HB3  CYS  28           HB3      CYS  28  12.930   5.232   7.279
  206    H    VAL  29           H        VAL  29  13.967   6.159   9.859
  207    HA   VAL  29           HA       VAL  29  16.145   4.210  10.024
  208    HB   VAL  29           HB       VAL  29  16.757   5.139  12.293
  209   HG11  VAL  29          HG11      VAL  29  17.351   7.167  10.178
  210   HG12  VAL  29          HG12      VAL  29  18.417   6.485  11.408
  211   HG13  VAL  29          HG13      VAL  29  17.944   5.515  10.013
  212   HG21  VAL  29          HG21      VAL  29  15.199   7.510  11.268
  213   HG22  VAL  29          HG22      VAL  29  14.808   6.525  12.677
  214   HG23  VAL  29          HG23      VAL  29  16.260   7.525  12.677
  215    H    LYS  30           H        LYS  30  16.061   3.176  12.339
  216    HA   LYS  30           HA       LYS  30  13.430   2.059  12.607
  217    HB2  LYS  30           HB2      LYS  30  15.800   0.958  12.952
  218    HB3  LYS  30           HB3      LYS  30  15.605   1.551  14.596
  219    HG2  LYS  30           HG2      LYS  30  13.886   0.116  15.060
  220    HG3  LYS  30           HG3      LYS  30  13.384  -0.004  13.372
  221    HD2  LYS  30           HD2      LYS  30  15.201  -1.450  12.851
  222    HD3  LYS  30           HD3      LYS  30  15.971  -1.148  14.411
  223    HE2  LYS  30           HE2      LYS  30  14.521  -2.515  15.543
  224    HE3  LYS  30           HE3      LYS  30  13.216  -2.272  14.383
  225    HZ1  LYS  30           HZ1      LYS  30  15.212  -3.530  12.977
  226    HZ2  LYS  30           HZ2      LYS  30  13.775  -4.228  13.533
  227    HZ3  LYS  30           HZ3      LYS  30  15.181  -4.325  14.470
  228    H    GLY  31           H        GLY  31  11.898   2.505  14.085
  229    HA2  GLY  31           HA2      GLY  31  12.347   4.793  15.832
  230    HA3  GLY  31           HA3      GLY  31  10.800   4.038  15.479
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   1.757  -1.292  -3.035
    2    HA2  GLY   1           HA2      GLY   1   1.785   1.195  -1.449
    3    HA3  GLY   1           HA3      GLY   1   1.381  -0.394  -0.816
    4    H    TYR   2           H        TYR   2   3.779   1.916  -1.088
    5    HA   TYR   2           HA       TYR   2   5.684   0.249   0.258
    6    HB2  TYR   2           HB2      TYR   2   5.907  -0.149  -2.322
    7    HB3  TYR   2           HB3      TYR   2   6.715   1.415  -2.303
    8    HD1  TYR   2           HD1      TYR   2   6.792  -1.773  -0.341
    9    HD2  TYR   2           HD2      TYR   2   9.010   1.369  -2.162
   10    HE1  TYR   2           HE1      TYR   2   8.888  -2.870   0.332
   11    HE2  TYR   2           HE2      TYR   2  11.112   0.279  -1.496
   12    HH   TYR   2           HH       TYR   2  11.944  -1.893  -0.875
   13    H    CYS   3           H        CYS   3   6.483   1.524   1.777
   14    HA   CYS   3           HA       CYS   3   6.610   4.414   1.299
   15    HB2  CYS   3           HB2      CYS   3   7.171   3.294   3.992
   16    HB3  CYS   3           HB3      CYS   3   6.269   4.736   3.538
   17    H    ALA   4           H        ALA   4   8.476   5.271   3.021
   18    HA   ALA   4           HA       ALA   4  10.935   4.404   1.746
   19    HB1  ALA   4           HB1      ALA   4  10.141   6.737   3.429
   20    HB2  ALA   4           HB2      ALA   4  11.847   6.326   3.255
   21    HB3  ALA   4           HB3      ALA   4  10.882   6.704   1.829
   22    H    THR   5           H        THR   5  11.891   2.658   2.573
   23    HA   THR   5           HA       THR   5  11.679   2.006   5.383
   24    HB   THR   5           HB       THR   5  13.307   0.113   4.632
   25    HG1  THR   5           HG1      THR   5  13.403  -0.223   2.449
   26   HG21  THR   5          HG21      THR   5  10.996  -0.605   3.178
   27   HG22  THR   5          HG22      THR   5  10.467   0.448   4.491
   28   HG23  THR   5          HG23      THR   5  11.395  -1.009   4.847
   29    H    LYS   6           H        LYS   6  13.789   1.212   6.461
   30    HA   LYS   6           HA       LYS   6  15.394   3.337   7.092
   31    HB2  LYS   6           HB2      LYS   6  16.779   1.844   8.244
   32    HB3  LYS   6           HB3      LYS   6  15.225   1.022   8.200
   33    HG2  LYS   6           HG2      LYS   6  16.002  -0.321   6.300
   34    HG3  LYS   6           HG3      LYS   6  17.569   0.485   6.387
   35    HD2  LYS   6           HD2      LYS   6  18.250  -0.863   8.025
   36    HD3  LYS   6           HD3      LYS   6  16.791  -0.550   8.968
   37    HE2  LYS   6           HE2      LYS   6  15.797  -2.170   7.051
   38    HE3  LYS   6           HE3      LYS   6  17.445  -2.786   7.160
   39    HZ1  LYS   6           HZ1      LYS   6  16.761  -2.569   9.746
   40    HZ2  LYS   6           HZ2      LYS   6  16.618  -3.989   8.838
   41    HZ3  LYS   6           HZ3      LYS   6  15.274  -2.984   9.055
   42    H    GLY   7           H        GLY   7  17.221   4.276   6.320
   43    HA2  GLY   7           HA2      GLY   7  19.157   4.482   5.017
   44    HA3  GLY   7           HA3      GLY   7  18.724   3.000   4.178
   45    H    ILE   8           H        ILE   8  15.924   4.409   3.994
   46    HA   ILE   8           HA       ILE   8  16.497   5.605   1.397
   47    HB   ILE   8           HB       ILE   8  13.802   5.071   2.646
   48   HG12  ILE   8          HG12      ILE   8  15.149   3.000   2.401
   49   HG13  ILE   8          HG13      ILE   8  13.737   3.019   1.350
   50   HG21  ILE   8          HG21      ILE   8  14.735   6.078   0.023
   51   HG22  ILE   8          HG22      ILE   8  13.365   4.969   0.021
   52   HG23  ILE   8          HG23      ILE   8  13.280   6.473   0.938
   53   HD11  ILE   8          HD11      ILE   8  15.025   2.669  -0.407
   54   HD12  ILE   8          HD12      ILE   8  15.938   4.138  -0.061
   55   HD13  ILE   8          HD13      ILE   8  16.433   2.604   0.654
   56    H    LYS   9           H        LYS   9  16.481   7.723   1.023
   57    HA   LYS   9           HA       LYS   9  16.441   9.654   2.991
   58    HB2  LYS   9           HB2      LYS   9  15.736   9.953   0.066
   59    HB3  LYS   9           HB3      LYS   9  16.089  11.291   1.151
   60    HG2  LYS   9           HG2      LYS   9  18.175   9.279   1.190
   61    HG3  LYS   9           HG3      LYS   9  17.898   9.931  -0.427
   62    HD2  LYS   9           HD2      LYS   9  17.955  12.234   0.744
   63    HD3  LYS   9           HD3      LYS   9  18.724  11.364   2.073
   64    HE2  LYS   9           HE2      LYS   9  20.237  10.441   0.109
   65    HE3  LYS   9           HE3      LYS   9  19.730  11.941  -0.666
   66    HZ1  LYS   9           HZ1      LYS   9  21.854  11.905   0.781
   67    HZ2  LYS   9           HZ2      LYS   9  20.778  12.001   2.082
   68    HZ3  LYS   9           HZ3      LYS   9  20.791  13.216   0.906
   69    H    CYS  10           H        CYS  10  14.928  10.973   3.905
   70    HA   CYS  10           HA       CYS  10  12.117  10.475   3.172
   71    HB2  CYS  10           HB2      CYS  10  11.469  10.503   5.447
   72    HB3  CYS  10           HB3      CYS  10  12.896   9.474   5.385
   73    H    ASN  11           H        ASN  11  14.107  12.603   2.417
   74    HA   ASN  11           HA       ASN  11  13.586  15.023   3.681
   75    HB2  ASN  11           HB2      ASN  11  14.531  14.223   0.976
   76    HB3  ASN  11           HB3      ASN  11  13.989  15.886   1.180
   77   HD21  ASN  11          HD21      ASN  11  14.818  16.603   3.593
   78   HD22  ASN  11          HD22      ASN  11  16.538  16.496   3.728
   79    H    ASP  12           H        ASP  12  11.610  13.158   1.548
   80    HA   ASP  12           HA       ASP  12   9.484  15.149   1.813
   81    HB2  ASP  12           HB2      ASP  12  10.783  15.210  -0.474
   82    HB3  ASP  12           HB3      ASP  12   9.808  13.788  -0.832
   83    H    ILE  13           H        ILE  13  10.362  11.885   0.739
   84    HA   ILE  13           HA       ILE  13   7.690  10.880   0.957
   85    HB   ILE  13           HB       ILE  13   9.420   9.904  -0.560
   86   HG12  ILE  13          HG12      ILE  13   8.307   7.918   1.431
   87   HG13  ILE  13          HG13      ILE  13   7.349   8.690   0.171
   88   HG21  ILE  13          HG21      ILE  13  10.536   8.669   1.952
   89   HG22  ILE  13          HG22      ILE  13  11.122   8.455   0.303
   90   HG23  ILE  13          HG23      ILE  13  11.275  10.022   1.097
   91   HD11  ILE  13          HD11      ILE  13   7.860   6.844  -0.986
   92   HD12  ILE  13          HD12      ILE  13   9.382   7.682  -1.291
   93   HD13  ILE  13          HD13      ILE  13   9.277   6.488   0.003
   94    H    HIS  14           H        HIS  14   6.782   9.628   2.553
   95    HA   HIS  14           HA       HIS  14   8.067   9.820   5.171
   96    HB2  HIS  14           HB2      HIS  14   5.848   9.236   6.070
   97    HB3  HIS  14           HB3      HIS  14   5.771  10.637   5.007
   98    HD1  HIS  14           HD1      HIS  14   3.829  10.567   3.497
   99    HD2  HIS  14           HD2      HIS  14   5.191   6.751   4.419
  100    HE1  HIS  14           HE1      HIS  14   2.275   8.991   2.303
  101    H    CYS  15           H        CYS  15   8.126   8.003   6.611
  102    HA   CYS  15           HA       CYS  15   8.707   5.524   5.199
  103    HB2  CYS  15           HB2      CYS  15   9.012   5.831   8.160
  104    HB3  CYS  15           HB3      CYS  15   9.993   4.908   7.027
  105    H    CYS  16           H        CYS  16   7.863   3.485   5.865
  106    HA   CYS  16           HA       CYS  16   5.083   3.460   6.258
  107    HB2  CYS  16           HB2      CYS  16   7.238   1.430   6.115
  108    HB3  CYS  16           HB3      CYS  16   5.751   0.931   6.916
  109    H    SER  17           H        SER  17   3.846   2.638   8.023
  110    HA   SER  17           HA       SER  17   4.363   3.771  10.480
  111    HB2  SER  17           HB2      SER  17   2.800   1.217  10.364
  112    HB3  SER  17           HB3      SER  17   2.452   2.701  11.252
  113    HG   SER  17           HG       SER  17   1.361   2.021   9.042
  114    H    GLY  18           H        GLY  18   6.124   3.434  11.679
  115    HA2  GLY  18           HA2      GLY  18   6.802   1.675  13.410
  116    HA3  GLY  18           HA3      GLY  18   7.090   0.667  12.000
  117    H    LEU  19           H        LEU  19   7.954   3.379  10.702
  118    HA   LEU  19           HA       LEU  19  10.698   3.298  11.774
  119    HB2  LEU  19           HB2      LEU  19   9.726   3.785   8.965
  120    HB3  LEU  19           HB3      LEU  19  11.390   4.041   9.486
  121    HG   LEU  19           HG       LEU  19   9.977   1.380   9.605
  122   HD11  LEU  19          HD11      LEU  19  10.182   2.146   7.290
  123   HD12  LEU  19          HD12      LEU  19  11.249   0.782   7.621
  124   HD13  LEU  19          HD13      LEU  19  11.908   2.415   7.533
  125   HD21  LEU  19          HD21      LEU  19  12.060   0.454  10.131
  126   HD22  LEU  19          HD22      LEU  19  11.961   1.903  11.133
  127   HD23  LEU  19          HD23      LEU  19  12.930   1.914   9.659
  128    H    LYS  20           H        LYS  20  11.882   5.259  11.836
  129    HA   LYS  20           HA       LYS  20  10.159   7.634  12.021
  130    HB2  LYS  20           HB2      LYS  20  12.819   7.014  13.316
  131    HB3  LYS  20           HB3      LYS  20  11.994   8.562  13.447
  132    HG2  LYS  20           HG2      LYS  20  10.594   6.047  14.245
  133    HG3  LYS  20           HG3      LYS  20  11.749   6.814  15.339
  134    HD2  LYS  20           HD2      LYS  20  10.464   8.772  15.499
  135    HD3  LYS  20           HD3      LYS  20   9.508   8.363  14.072
  136    HE2  LYS  20           HE2      LYS  20   8.004   7.326  15.336
  137    HE3  LYS  20           HE3      LYS  20   9.251   6.279  16.013
  138    HZ1  LYS  20           HZ1      LYS  20   8.405   7.357  17.855
  139    HZ2  LYS  20           HZ2      LYS  20   8.220   8.836  17.055
  140    HZ3  LYS  20           HZ3      LYS  20   9.764   8.298  17.492
  141    H    CYS  21           H        CYS  21  10.758   9.574  11.068
  142    HA   CYS  21           HA       CYS  21  12.628   9.301   8.840
  143    HB2  CYS  21           HB2      CYS  21  10.523  10.149   8.149
  144    HB3  CYS  21           HB3      CYS  21  10.459  11.292   9.486
  145    H    ASP  22           H        ASP  22  14.645   9.571   9.703
  146    HA   ASP  22           HA       ASP  22  15.360  11.449  11.662
  147    HB2  ASP  22           HB2      ASP  22  16.654   9.388  10.626
  148    HB3  ASP  22           HB3      ASP  22  17.339  10.627   9.578
  149    H    SER  23           H        SER  23  14.860  13.545  11.385
  150    HA   SER  23           HA       SER  23  14.996  14.870   8.859
  151    HB2  SER  23           HB2      SER  23  14.820  16.935  10.544
  152    HB3  SER  23           HB3      SER  23  13.431  15.914  10.172
  153    HG   SER  23           HG       SER  23  13.371  15.507  12.222
  154    H    LYS  24           H        LYS  24  17.310  14.049  11.167
  155    HA   LYS  24           HA       LYS  24  19.070  16.295  10.675
  156    HB2  LYS  24           HB2      LYS  24  19.434  13.729  12.227
  157    HB3  LYS  24           HB3      LYS  24  20.672  14.971  12.089
  158    HG2  LYS  24           HG2      LYS  24  18.354  16.300  12.920
  159    HG3  LYS  24           HG3      LYS  24  18.434  14.818  13.874
  160    HD2  LYS  24           HD2      LYS  24  19.630  16.487  15.076
  161    HD3  LYS  24           HD3      LYS  24  20.829  15.396  14.379
  162    HE2  LYS  24           HE2      LYS  24  21.817  17.226  13.571
  163    HE3  LYS  24           HE3      LYS  24  20.486  17.302  12.417
  164    HZ1  LYS  24           HZ1      LYS  24  19.320  18.570  14.340
  165    HZ2  LYS  24           HZ2      LYS  24  20.421  19.381  13.343
  166    HZ3  LYS  24           HZ3      LYS  24  20.900  18.853  14.877
  167    H    ARG  25           H        ARG  25  18.904  12.859   9.835
  168    HA   ARG  25           HA       ARG  25  21.190  13.207   8.029
  169    HB2  ARG  25           HB2      ARG  25  19.807  10.627   8.768
  170    HB3  ARG  25           HB3      ARG  25  21.369  10.816   7.983
  171    HG2  ARG  25           HG2      ARG  25  21.533  12.227  10.404
  172    HG3  ARG  25           HG3      ARG  25  20.745  10.691  10.770
  173    HD2  ARG  25           HD2      ARG  25  23.116  10.605   8.997
  174    HD3  ARG  25           HD3      ARG  25  23.400  10.982  10.695
  175    HE   ARG  25           HE       ARG  25  21.720   8.718  10.449
  176   HH11  ARG  25          HH11      ARG  25  25.033   9.729  10.098
  177   HH12  ARG  25          HH12      ARG  25  25.685   8.160  10.438
  178   HH21  ARG  25          HH21      ARG  25  22.566   6.647  10.898
  179   HH22  ARG  25          HH22      ARG  25  24.281   6.408  10.892
  180    H    LYS  26           H        LYS  26  17.982  13.603   7.881
  181    HA   LYS  26           HA       LYS  26  16.391  13.549   6.250
  182    HB2  LYS  26           HB2      LYS  26  18.755  13.524   4.368
  183    HB3  LYS  26           HB3      LYS  26  17.129  14.097   4.018
  184    HG2  LYS  26           HG2      LYS  26  17.387  15.984   5.406
  185    HG3  LYS  26           HG3      LYS  26  18.854  15.335   6.142
  186    HD2  LYS  26           HD2      LYS  26  19.773  15.385   3.707
  187    HD3  LYS  26           HD3      LYS  26  18.462  16.534   3.429
  188    HE2  LYS  26           HE2      LYS  26  19.962  17.106   5.854
  189    HE3  LYS  26           HE3      LYS  26  20.976  17.122   4.412
  190    HZ1  LYS  26           HZ1      LYS  26  18.425  18.618   4.627
  191    HZ2  LYS  26           HZ2      LYS  26  19.601  18.758   3.420
  192    HZ3  LYS  26           HZ3      LYS  26  19.933  19.294   4.989
  193    H    VAL  27           H        VAL  27  16.990  11.040   7.296
  194    HA   VAL  27           HA       VAL  27  16.171   9.359   5.074
  195    HB   VAL  27           HB       VAL  27  17.828   7.578   5.708
  196   HG11  VAL  27          HG11      VAL  27  19.689   8.589   4.436
  197   HG12  VAL  27          HG12      VAL  27  18.117   8.858   3.679
  198   HG13  VAL  27          HG13      VAL  27  18.900  10.160   4.577
  199   HG21  VAL  27          HG21      VAL  27  19.485   7.902   7.210
  200   HG22  VAL  27          HG22      VAL  27  19.662   9.611   6.810
  201   HG23  VAL  27          HG23      VAL  27  18.356   9.084   7.873
  202    H    CYS  28           H        CYS  28  15.440   7.209   5.805
  203    HA   CYS  28           HA       CYS  28  13.975   7.459   8.283
  204    HB2  CYS  28           HB2      CYS  28  14.038   5.282   6.185
  205    HB3  CYS  28           HB3      CYS  28  12.986   5.265   7.597
  206    H    VAL  29           H        VAL  29  14.241   6.273  10.125
  207    HA   VAL  29           HA       VAL  29  16.438   4.323  10.198
  208    HB   VAL  29           HB       VAL  29  17.027   5.241  12.489
  209   HG11  VAL  29          HG11      VAL  29  18.508   5.572  10.631
  210   HG12  VAL  29          HG12      VAL  29  17.526   6.908  10.027
  211   HG13  VAL  29          HG13      VAL  29  18.413   7.079  11.542
  212   HG21  VAL  29          HG21      VAL  29  16.321   7.348  13.168
  213   HG22  VAL  29          HG22      VAL  29  15.778   7.798  11.551
  214   HG23  VAL  29          HG23      VAL  29  14.851   6.637  12.501
  215    H    LYS  30           H        LYS  30  16.411   3.063  12.296
  216    HA   LYS  30           HA       LYS  30  13.802   1.960  12.660
  217    HB2  LYS  30           HB2      LYS  30  16.085   0.763  12.777
  218    HB3  LYS  30           HB3      LYS  30  16.170   1.379  14.422
  219    HG2  LYS  30           HG2      LYS  30  13.846   0.280  14.700
  220    HG3  LYS  30           HG3      LYS  30  14.290  -0.627  13.252
  221    HD2  LYS  30           HD2      LYS  30  16.529  -0.732  14.934
  222    HD3  LYS  30           HD3      LYS  30  15.132  -1.008  15.978
  223    HE2  LYS  30           HE2      LYS  30  14.642  -2.992  15.015
  224    HE3  LYS  30           HE3      LYS  30  15.118  -2.449  13.407
  225    HZ1  LYS  30           HZ1      LYS  30  17.129  -3.329  13.653
  226    HZ2  LYS  30           HZ2      LYS  30  16.533  -4.132  15.017
  227    HZ3  LYS  30           HZ3      LYS  30  17.343  -2.657  15.190
  228    H    GLY  31           H        GLY  31  12.303   2.443  14.136
  229    HA2  GLY  31           HA2      GLY  31  12.893   3.351  16.761
  230    HA3  GLY  31           HA3      GLY  31  12.410   4.701  15.746
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   0.346   0.021  -1.088
    2    HA2  GLY   1           HA2      GLY   1   1.402   1.911  -0.074
    3    HA3  GLY   1           HA3      GLY   1   2.008   0.517   0.807
    4    H    TYR   2           H        TYR   2   4.093  -0.317   0.275
    5    HA   TYR   2           HA       TYR   2   6.327  -0.050  -0.074
    6    HB2  TYR   2           HB2      TYR   2   5.751  -0.407  -2.386
    7    HB3  TYR   2           HB3      TYR   2   5.253   1.271  -2.572
    8    HD1  TYR   2           HD1      TYR   2   8.314  -0.338  -1.144
    9    HD2  TYR   2           HD2      TYR   2   6.693   2.364  -4.003
   10    HE1  TYR   2           HE1      TYR   2  10.589   0.249  -1.870
   11    HE2  TYR   2           HE2      TYR   2   8.964   2.958  -4.738
   12    HH   TYR   2           HH       TYR   2  11.204   2.890  -4.032
   13    H    CYS   3           H        CYS   3   6.625   1.320   1.731
   14    HA   CYS   3           HA       CYS   3   6.731   4.198   1.181
   15    HB2  CYS   3           HB2      CYS   3   7.300   3.150   3.901
   16    HB3  CYS   3           HB3      CYS   3   6.388   4.574   3.411
   17    H    ALA   4           H        ALA   4   8.590   5.110   2.884
   18    HA   ALA   4           HA       ALA   4  11.056   4.223   1.633
   19    HB1  ALA   4           HB1      ALA   4  10.294   6.587   3.308
   20    HB2  ALA   4           HB2      ALA   4  11.987   6.196   3.002
   21    HB3  ALA   4           HB3      ALA   4  10.905   6.544   1.654
   22    H    THR   5           H        THR   5  12.048   2.528   2.515
   23    HA   THR   5           HA       THR   5  11.824   1.947   5.339
   24    HB   THR   5           HB       THR   5  13.493   0.065   4.651
   25    HG1  THR   5           HG1      THR   5  12.409   0.460   2.086
   26   HG21  THR   5          HG21      THR   5  11.198  -0.725   3.202
   27   HG22  THR   5          HG22      THR   5  10.650   0.341   4.496
   28   HG23  THR   5          HG23      THR   5  11.604  -1.092   4.878
   29    H    LYS   6           H        LYS   6  13.975   1.173   6.408
   30    HA   LYS   6           HA       LYS   6  15.522   3.341   7.041
   31    HB2  LYS   6           HB2      LYS   6  16.957   1.881   8.177
   32    HB3  LYS   6           HB3      LYS   6  15.426   1.017   8.140
   33    HG2  LYS   6           HG2      LYS   6  16.228  -0.294   6.226
   34    HG3  LYS   6           HG3      LYS   6  17.774   0.554   6.311
   35    HD2  LYS   6           HD2      LYS   6  18.367  -0.465   8.310
   36    HD3  LYS   6           HD3      LYS   6  16.696  -0.857   8.721
   37    HE2  LYS   6           HE2      LYS   6  17.505  -2.111   6.242
   38    HE3  LYS   6           HE3      LYS   6  18.583  -2.548   7.567
   39    HZ1  LYS   6           HZ1      LYS   6  16.795  -3.403   8.810
   40    HZ2  LYS   6           HZ2      LYS   6  16.588  -4.012   7.245
   41    HZ3  LYS   6           HZ3      LYS   6  15.634  -2.722   7.783
   42    H    GLY   7           H        GLY   7  17.318   4.334   6.265
   43    HA2  GLY   7           HA2      GLY   7  19.258   4.570   4.960
   44    HA3  GLY   7           HA3      GLY   7  18.817   3.113   4.081
   45    H    ILE   8           H        ILE   8  16.011   4.412   3.898
   46    HA   ILE   8           HA       ILE   8  16.553   5.731   1.363
   47    HB   ILE   8           HB       ILE   8  13.867   5.139   2.605
   48   HG12  ILE   8          HG12      ILE   8  15.229   3.083   2.328
   49   HG13  ILE   8          HG13      ILE   8  13.821   3.109   1.272
   50   HG21  ILE   8          HG21      ILE   8  13.818   6.810   0.836
   51   HG22  ILE   8          HG22      ILE   8  14.686   5.715  -0.239
   52   HG23  ILE   8          HG23      ILE   8  13.056   5.313   0.300
   53   HD11  ILE   8          HD11      ILE   8  16.649   3.746   0.467
   54   HD12  ILE   8          HD12      ILE   8  15.767   2.261   0.109
   55   HD13  ILE   8          HD13      ILE   8  15.241   3.790  -0.594
   56    H    LYS   9           H        LYS   9  16.422   7.857   1.009
   57    HA   LYS   9           HA       LYS   9  16.434   9.745   3.019
   58    HB2  LYS   9           HB2      LYS   9  15.461  10.199   0.193
   59    HB3  LYS   9           HB3      LYS   9  16.096  11.417   1.290
   60    HG2  LYS   9           HG2      LYS   9  17.979   9.264   0.963
   61    HG3  LYS   9           HG3      LYS   9  17.510   9.938  -0.599
   62    HD2  LYS   9           HD2      LYS   9  18.139  11.847   1.585
   63    HD3  LYS   9           HD3      LYS   9  19.485  10.964   0.862
   64    HE2  LYS   9           HE2      LYS   9  17.493  12.248  -0.939
   65    HE3  LYS   9           HE3      LYS   9  18.663  13.276  -0.114
   66    HZ1  LYS   9           HZ1      LYS   9  20.447  12.128  -1.123
   67    HZ2  LYS   9           HZ2      LYS   9  19.345  12.463  -2.362
   68    HZ3  LYS   9           HZ3      LYS   9  19.440  10.904  -1.713
   69    H    CYS  10           H        CYS  10  14.937  11.004   4.037
   70    HA   CYS  10           HA       CYS  10  12.106  10.424   3.456
   71    HB2  CYS  10           HB2      CYS  10  11.590  10.326   5.730
   72    HB3  CYS  10           HB3      CYS  10  13.142   9.499   5.646
   73    H    ASN  11           H        ASN  11  14.164  12.662   2.814
   74    HA   ASN  11           HA       ASN  11  13.342  15.021   4.086
   75    HB2  ASN  11           HB2      ASN  11  15.378  15.024   2.821
   76    HB3  ASN  11           HB3      ASN  11  14.535  14.544   1.351
   77   HD21  ASN  11          HD21      ASN  11  14.233  17.082   3.818
   78   HD22  ASN  11          HD22      ASN  11  14.052  18.384   2.696
   79    H    ASP  12           H        ASP  12  11.780  13.074   1.746
   80    HA   ASP  12           HA       ASP  12   9.629  15.057   1.546
   81    HB2  ASP  12           HB2      ASP  12   9.379  14.151  -0.902
   82    HB3  ASP  12           HB3      ASP  12  10.539  15.429  -0.550
   83    H    ILE  13           H        ILE  13  10.518  11.728   0.623
   84    HA   ILE  13           HA       ILE  13   7.820  10.792   0.818
   85    HB   ILE  13           HB       ILE  13   9.521   9.763  -0.684
   86   HG12  ILE  13          HG12      ILE  13   8.747   7.518   1.074
   87   HG13  ILE  13          HG13      ILE  13   7.435   8.591   0.600
   88   HG21  ILE  13          HG21      ILE  13  11.385   9.870   0.962
   89   HG22  ILE  13          HG22      ILE  13  10.630   8.538   1.835
   90   HG23  ILE  13          HG23      ILE  13  11.206   8.297   0.186
   91   HD11  ILE  13          HD11      ILE  13   9.261   7.621  -1.521
   92   HD12  ILE  13          HD12      ILE  13   8.104   6.483  -0.830
   93   HD13  ILE  13          HD13      ILE  13   7.534   7.973  -1.581
   94    H    HIS  14           H        HIS  14   6.890   9.497   2.388
   95    HA   HIS  14           HA       HIS  14   8.117   9.712   5.032
   96    HB2  HIS  14           HB2      HIS  14   5.327   8.780   4.341
   97    HB3  HIS  14           HB3      HIS  14   5.928   9.253   5.927
   98    HD1  HIS  14           HD1      HIS  14   4.075  10.540   3.147
   99    HD2  HIS  14           HD2      HIS  14   6.733  12.141   5.910
  100    HE1  HIS  14           HE1      HIS  14   3.690  13.024   3.089
  101    H    CYS  15           H        CYS  15   8.200   7.907   6.471
  102    HA   CYS  15           HA       CYS  15   8.809   5.424   5.078
  103    HB2  CYS  15           HB2      CYS  15   9.105   5.752   8.037
  104    HB3  CYS  15           HB3      CYS  15  10.100   4.836   6.910
  105    H    CYS  16           H        CYS  16   8.002   3.376   5.795
  106    HA   CYS  16           HA       CYS  16   5.215   3.325   6.168
  107    HB2  CYS  16           HB2      CYS  16   7.394   1.320   6.051
  108    HB3  CYS  16           HB3      CYS  16   5.915   0.812   6.859
  109    H    SER  17           H        SER  17   3.986   2.495   7.940
  110    HA   SER  17           HA       SER  17   4.475   3.668  10.383
  111    HB2  SER  17           HB2      SER  17   2.760   1.333   9.578
  112    HB3  SER  17           HB3      SER  17   2.851   1.842  11.264
  113    HG   SER  17           HG       SER  17   1.548   2.995   9.164
  114    H    GLY  18           H        GLY  18   6.172   3.370  11.669
  115    HA2  GLY  18           HA2      GLY  18   6.887   1.635  13.392
  116    HA3  GLY  18           HA3      GLY  18   7.223   0.632  11.989
  117    H    LEU  19           H        LEU  19   8.067   3.281  10.634
  118    HA   LEU  19           HA       LEU  19  10.790   3.285  11.755
  119    HB2  LEU  19           HB2      LEU  19   9.824   3.802   8.950
  120    HB3  LEU  19           HB3      LEU  19  11.482   4.068   9.485
  121    HG   LEU  19           HG       LEU  19  10.102   1.389   9.556
  122   HD11  LEU  19          HD11      LEU  19  12.020   2.477   7.500
  123   HD12  LEU  19          HD12      LEU  19  10.297   2.198   7.253
  124   HD13  LEU  19          HD13      LEU  19  11.374   0.837   7.561
  125   HD21  LEU  19          HD21      LEU  19  13.051   1.898   9.574
  126   HD22  LEU  19          HD22      LEU  19  12.158   0.482  10.129
  127   HD23  LEU  19          HD23      LEU  19  12.118   1.975  11.068
  128    H    LYS  20           H        LYS  20  11.957   5.285  11.763
  129    HA   LYS  20           HA       LYS  20  10.181   7.613  12.037
  130    HB2  LYS  20           HB2      LYS  20  12.701   6.773  13.403
  131    HB3  LYS  20           HB3      LYS  20  12.353   8.491  13.263
  132    HG2  LYS  20           HG2      LYS  20  10.252   6.664  14.322
  133    HG3  LYS  20           HG3      LYS  20  11.593   7.144  15.364
  134    HD2  LYS  20           HD2      LYS  20  10.978   9.374  15.348
  135    HD3  LYS  20           HD3      LYS  20  10.085   9.222  13.832
  136    HE2  LYS  20           HE2      LYS  20   8.193   8.840  14.932
  137    HE3  LYS  20           HE3      LYS  20   8.931   7.507  15.819
  138    HZ1  LYS  20           HZ1      LYS  20   8.975  10.379  16.564
  139    HZ2  LYS  20           HZ2      LYS  20   9.855   9.179  17.367
  140    HZ3  LYS  20           HZ3      LYS  20   8.164   9.131  17.369
  141    H    CYS  21           H        CYS  21  10.769   9.613  11.154
  142    HA   CYS  21           HA       CYS  21  12.519   9.399   8.824
  143    HB2  CYS  21           HB2      CYS  21  10.371  10.285   8.298
  144    HB3  CYS  21           HB3      CYS  21  10.430  11.414   9.648
  145    H    ASP  22           H        ASP  22  14.570   9.580   9.673
  146    HA   ASP  22           HA       ASP  22  15.406  11.393  11.628
  147    HB2  ASP  22           HB2      ASP  22  16.626   9.359  10.472
  148    HB3  ASP  22           HB3      ASP  22  17.264  10.617   9.417
  149    H    SER  23           H        SER  23  14.869  13.496  11.432
  150    HA   SER  23           HA       SER  23  14.953  14.907   8.948
  151    HB2  SER  23           HB2      SER  23  13.359  15.658  10.557
  152    HB3  SER  23           HB3      SER  23  14.592  15.806  11.809
  153    HG   SER  23           HG       SER  23  15.307  17.633  10.919
  154    H    LYS  24           H        LYS  24  17.304  14.024  11.197
  155    HA   LYS  24           HA       LYS  24  19.045  16.295  10.742
  156    HB2  LYS  24           HB2      LYS  24  19.213  13.782  12.365
  157    HB3  LYS  24           HB3      LYS  24  20.678  14.691  12.018
  158    HG2  LYS  24           HG2      LYS  24  18.423  16.277  13.042
  159    HG3  LYS  24           HG3      LYS  24  19.110  15.104  14.169
  160    HD2  LYS  24           HD2      LYS  24  21.102  16.197  14.304
  161    HD3  LYS  24           HD3      LYS  24  21.014  16.788  12.642
  162    HE2  LYS  24           HE2      LYS  24  20.620  18.757  13.683
  163    HE3  LYS  24           HE3      LYS  24  18.965  18.150  13.703
  164    HZ1  LYS  24           HZ1      LYS  24  19.712  17.122  15.949
  165    HZ2  LYS  24           HZ2      LYS  24  19.273  18.754  15.879
  166    HZ3  LYS  24           HZ3      LYS  24  20.907  18.318  15.902
  167    H    ARG  25           H        ARG  25  18.896  12.874   9.837
  168    HA   ARG  25           HA       ARG  25  21.156  13.276   8.011
  169    HB2  ARG  25           HB2      ARG  25  19.798  10.735   8.930
  170    HB3  ARG  25           HB3      ARG  25  21.164  10.805   7.825
  171    HG2  ARG  25           HG2      ARG  25  22.172  12.206   9.881
  172    HG3  ARG  25           HG3      ARG  25  21.071  11.133  10.749
  173    HD2  ARG  25           HD2      ARG  25  22.117   9.217   9.516
  174    HD3  ARG  25           HD3      ARG  25  23.314  10.353   8.895
  175    HE   ARG  25           HE       ARG  25  23.199   9.230  11.533
  176   HH11  ARG  25          HH11      ARG  25  24.289  11.937   9.633
  177   HH12  ARG  25          HH12      ARG  25  25.554  12.368  10.736
  178   HH21  ARG  25          HH21      ARG  25  24.861   9.788  12.992
  179   HH22  ARG  25          HH22      ARG  25  25.879  11.145  12.645
  180    H    LYS  26           H        LYS  26  17.946  13.654   7.906
  181    HA   LYS  26           HA       LYS  26  16.333  13.607   6.297
  182    HB2  LYS  26           HB2      LYS  26  18.841  13.908   4.655
  183    HB3  LYS  26           HB3      LYS  26  17.241  13.935   3.927
  184    HG2  LYS  26           HG2      LYS  26  16.636  15.890   5.149
  185    HG3  LYS  26           HG3      LYS  26  18.104  15.799   6.125
  186    HD2  LYS  26           HD2      LYS  26  18.924  15.817   3.429
  187    HD3  LYS  26           HD3      LYS  26  17.691  17.070   3.591
  188    HE2  LYS  26           HE2      LYS  26  19.724  16.948   5.730
  189    HE3  LYS  26           HE3      LYS  26  20.295  17.459   4.142
  190    HZ1  LYS  26           HZ1      LYS  26  19.008  19.334   4.181
  191    HZ2  LYS  26           HZ2      LYS  26  19.371  19.190   5.827
  192    HZ3  LYS  26           HZ3      LYS  26  17.865  18.684   5.246
  193    H    VAL  27           H        VAL  27  16.896  11.094   7.262
  194    HA   VAL  27           HA       VAL  27  16.158   9.461   4.975
  195    HB   VAL  27           HB       VAL  27  17.791   7.664   5.653
  196   HG11  VAL  27          HG11      VAL  27  19.689   8.691   4.444
  197   HG12  VAL  27          HG12      VAL  27  18.139   8.952   3.640
  198   HG13  VAL  27          HG13      VAL  27  18.885  10.256   4.566
  199   HG21  VAL  27          HG21      VAL  27  18.248   9.130   7.846
  200   HG22  VAL  27          HG22      VAL  27  19.425   7.993   7.189
  201   HG23  VAL  27          HG23      VAL  27  19.567   9.714   6.831
  202    H    CYS  28           H        CYS  28  15.462   7.259   5.657
  203    HA   CYS  28           HA       CYS  28  13.877   7.468   8.070
  204    HB2  CYS  28           HB2      CYS  28  14.039   5.339   5.929
  205    HB3  CYS  28           HB3      CYS  28  12.944   5.268   7.305
  206    H    VAL  29           H        VAL  29  14.028   6.178   9.875
  207    HA   VAL  29           HA       VAL  29  16.211   4.229  10.007
  208    HB   VAL  29           HB       VAL  29  16.816   5.142  12.290
  209   HG11  VAL  29          HG11      VAL  29  18.495   6.448  11.410
  210   HG12  VAL  29          HG12      VAL  29  17.986   5.539   9.985
  211   HG13  VAL  29          HG13      VAL  29  17.434   7.198  10.218
  212   HG21  VAL  29          HG21      VAL  29  14.741   6.548  12.463
  213   HG22  VAL  29          HG22      VAL  29  16.244   7.381  12.859
  214   HG23  VAL  29          HG23      VAL  29  15.474   7.648  11.295
  215    H    LYS  30           H        LYS  30  16.143   3.167  12.308
  216    HA   LYS  30           HA       LYS  30  13.617   1.903  12.542
  217    HB2  LYS  30           HB2      LYS  30  15.936   0.964  13.119
  218    HB3  LYS  30           HB3      LYS  30  15.775   1.829  14.642
  219    HG2  LYS  30           HG2      LYS  30  14.340   0.334  15.481
  220    HG3  LYS  30           HG3      LYS  30  13.466   0.167  13.957
  221    HD2  LYS  30           HD2      LYS  30  15.481  -1.163  13.138
  222    HD3  LYS  30           HD3      LYS  30  15.990  -1.217  14.827
  223    HE2  LYS  30           HE2      LYS  30  14.801  -3.184  14.626
  224    HE3  LYS  30           HE3      LYS  30  13.573  -2.082  15.246
  225    HZ1  LYS  30           HZ1      LYS  30  13.934  -2.594  12.352
  226    HZ2  LYS  30           HZ2      LYS  30  12.617  -1.865  13.124
  227    HZ3  LYS  30           HZ3      LYS  30  12.898  -3.522  13.316
  228    H    GLY  31           H        GLY  31  11.957   2.197  13.948
  229    HA2  GLY  31           HA2      GLY  31  12.116   3.653  16.364
  230    HA3  GLY  31           HA3      GLY  31  11.515   4.706  15.091
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   2.149  -1.999  -0.273
    2    HA2  GLY   1           HA2      GLY   1   3.211  -0.563   1.781
    3    HA3  GLY   1           HA3      GLY   1   4.228  -1.995   1.720
    4    H    TYR   2           H        TYR   2   4.402   1.039   0.960
    5    HA   TYR   2           HA       TYR   2   6.324   0.660  -1.112
    6    HB2  TYR   2           HB2      TYR   2   3.960   0.672  -2.236
    7    HB3  TYR   2           HB3      TYR   2   4.043   2.409  -1.964
    8    HD1  TYR   2           HD1      TYR   2   5.285   3.798  -3.403
    9    HD2  TYR   2           HD2      TYR   2   5.781  -0.423  -3.614
   10    HE1  TYR   2           HE1      TYR   2   6.608   4.062  -5.459
   11    HE2  TYR   2           HE2      TYR   2   7.107  -0.170  -5.670
   12    HH   TYR   2           HH       TYR   2   7.980   3.014  -6.914
   13    H    CYS   3           H        CYS   3   6.367   1.767   1.469
   14    HA   CYS   3           HA       CYS   3   6.567   4.658   1.026
   15    HB2  CYS   3           HB2      CYS   3   7.089   3.493   3.708
   16    HB3  CYS   3           HB3      CYS   3   6.224   4.961   3.268
   17    H    ALA   4           H        ALA   4   8.445   5.442   2.776
   18    HA   ALA   4           HA       ALA   4  10.888   4.532   1.497
   19    HB1  ALA   4           HB1      ALA   4  10.194   6.845   3.271
   20    HB2  ALA   4           HB2      ALA   4  11.874   6.414   2.949
   21    HB3  ALA   4           HB3      ALA   4  10.806   6.854   1.617
   22    H    THR   5           H        THR   5  11.822   2.770   2.310
   23    HA   THR   5           HA       THR   5  11.567   2.079   5.107
   24    HB   THR   5           HB       THR   5  13.178   0.174   4.342
   25    HG1  THR   5           HG1      THR   5  13.811   0.512   2.342
   26   HG21  THR   5          HG21      THR   5  10.859  -0.482   2.864
   27   HG22  THR   5          HG22      THR   5  10.346   0.546   4.202
   28   HG23  THR   5          HG23      THR   5  11.254  -0.932   4.522
   29    H    LYS   6           H        LYS   6  13.678   1.203   6.160
   30    HA   LYS   6           HA       LYS   6  15.298   3.292   6.872
   31    HB2  LYS   6           HB2      LYS   6  16.670   1.745   7.971
   32    HB3  LYS   6           HB3      LYS   6  15.109   0.939   7.895
   33    HG2  LYS   6           HG2      LYS   6  15.877  -0.342   5.950
   34    HG3  LYS   6           HG3      LYS   6  17.450   0.450   6.065
   35    HD2  LYS   6           HD2      LYS   6  18.024  -0.676   7.994
   36    HD3  LYS   6           HD3      LYS   6  16.343  -0.957   8.454
   37    HE2  LYS   6           HE2      LYS   6  16.135  -2.564   6.596
   38    HE3  LYS   6           HE3      LYS   6  17.836  -2.312   6.209
   39    HZ1  LYS   6           HZ1      LYS   6  18.366  -3.093   8.480
   40    HZ2  LYS   6           HZ2      LYS   6  17.631  -4.277   7.522
   41    HZ3  LYS   6           HZ3      LYS   6  16.733  -3.473   8.708
   42    H    GLY   7           H        GLY   7  17.135   4.242   6.139
   43    HA2  GLY   7           HA2      GLY   7  19.089   4.453   4.853
   44    HA3  GLY   7           HA3      GLY   7  18.609   3.035   3.932
   45    H    ILE   8           H        ILE   8  15.848   4.444   3.774
   46    HA   ILE   8           HA       ILE   8  16.454   5.808   1.276
   47    HB   ILE   8           HB       ILE   8  13.740   5.270   2.482
   48   HG12  ILE   8          HG12      ILE   8  15.032   3.178   2.156
   49   HG13  ILE   8          HG13      ILE   8  13.640   3.282   1.085
   50   HG21  ILE   8          HG21      ILE   8  13.498   6.900   0.823
   51   HG22  ILE   8          HG22      ILE   8  14.696   6.142  -0.224
   52   HG23  ILE   8          HG23      ILE   8  13.119   5.386   0.002
   53   HD11  ILE   8          HD11      ILE   8  16.350   2.851   0.419
   54   HD12  ILE   8          HD12      ILE   8  14.956   2.959  -0.656
   55   HD13  ILE   8          HD13      ILE   8  15.872   4.411  -0.251
   56    H    LYS   9           H        LYS   9  16.400   7.946   0.983
   57    HA   LYS   9           HA       LYS   9  16.451   9.774   3.048
   58    HB2  LYS   9           HB2      LYS   9  15.518  10.361   0.234
   59    HB3  LYS   9           HB3      LYS   9  16.219  11.504   1.372
   60    HG2  LYS   9           HG2      LYS   9  18.011   9.307   1.015
   61    HG3  LYS   9           HG3      LYS   9  17.538   9.948  -0.560
   62    HD2  LYS   9           HD2      LYS   9  17.989  12.249   0.756
   63    HD3  LYS   9           HD3      LYS   9  19.120  11.193   1.603
   64    HE2  LYS   9           HE2      LYS   9  20.171  10.583  -0.487
   65    HE3  LYS   9           HE3      LYS   9  18.981  11.517  -1.392
   66    HZ1  LYS   9           HZ1      LYS   9  21.077  12.551   0.432
   67    HZ2  LYS   9           HZ2      LYS   9  19.811  13.507  -0.157
   68    HZ3  LYS   9           HZ3      LYS   9  20.927  12.826  -1.231
   69    H    CYS  10           H        CYS  10  14.985  11.049   4.089
   70    HA   CYS  10           HA       CYS  10  12.144  10.581   3.458
   71    HB2  CYS  10           HB2      CYS  10  11.598  10.453   5.725
   72    HB3  CYS  10           HB3      CYS  10  13.117   9.567   5.633
   73    H    ASN  11           H        ASN  11  14.268  12.764   2.878
   74    HA   ASN  11           HA       ASN  11  13.524  15.118   4.203
   75    HB2  ASN  11           HB2      ASN  11  15.541  15.195   2.982
   76    HB3  ASN  11           HB3      ASN  11  14.776  14.590   1.516
   77   HD21  ASN  11          HD21      ASN  11  14.532  17.309   3.780
   78   HD22  ASN  11          HD22      ASN  11  14.266  18.513   2.570
   79    H    ASP  12           H        ASP  12  11.898  13.278   1.821
   80    HA   ASP  12           HA       ASP  12   9.827  15.350   1.649
   81    HB2  ASP  12           HB2      ASP  12  11.315  15.287  -0.425
   82    HB3  ASP  12           HB3      ASP  12  10.623  13.699  -0.746
   83    H    ILE  13           H        ILE  13  10.521  12.000   0.630
   84    HA   ILE  13           HA       ILE  13   7.788  11.200   0.916
   85    HB   ILE  13           HB       ILE  13   9.335  10.126  -0.697
   86   HG12  ILE  13          HG12      ILE  13   8.609   7.805  -0.249
   87   HG13  ILE  13          HG13      ILE  13   8.160   8.272   1.388
   88   HG21  ILE  13          HG21      ILE  13  10.572   8.834   1.730
   89   HG22  ILE  13          HG22      ILE  13  11.007   8.560   0.044
   90   HG23  ILE  13          HG23      ILE  13  11.317  10.127   0.790
   91   HD11  ILE  13          HD11      ILE  13   6.173   8.946   0.698
   92   HD12  ILE  13          HD12      ILE  13   6.898  10.006  -0.512
   93   HD13  ILE  13          HD13      ILE  13   6.567   8.318  -0.903
   94    H    HIS  14           H        HIS  14   6.864   9.887   2.480
   95    HA   HIS  14           HA       HIS  14   8.205   9.962   5.076
   96    HB2  HIS  14           HB2      HIS  14   5.719  10.688   4.513
   97    HB3  HIS  14           HB3      HIS  14   5.407   8.971   4.750
   98    HD1  HIS  14           HD1      HIS  14   5.419   8.094   7.130
   99    HD2  HIS  14           HD2      HIS  14   6.607  12.065   6.844
  100    HE1  HIS  14           HE1      HIS  14   5.494   8.946   9.495
  101    H    CYS  15           H        CYS  15   8.164   8.094   6.481
  102    HA   CYS  15           HA       CYS  15   8.688   5.648   4.991
  103    HB2  CYS  15           HB2      CYS  15   8.969   5.836   7.963
  104    HB3  CYS  15           HB3      CYS  15   9.942   4.937   6.803
  105    H    CYS  16           H        CYS  16   7.797   3.604   5.625
  106    HA   CYS  16           HA       CYS  16   5.005   3.650   5.972
  107    HB2  CYS  16           HB2      CYS  16   7.105   1.566   5.794
  108    HB3  CYS  16           HB3      CYS  16   5.599   1.086   6.570
  109    H    SER  17           H        SER  17   3.729   2.792   7.699
  110    HA   SER  17           HA       SER  17   4.233   3.853  10.190
  111    HB2  SER  17           HB2      SER  17   2.575   1.376   9.671
  112    HB3  SER  17           HB3      SER  17   2.402   2.502  11.016
  113    HG   SER  17           HG       SER  17   2.057   4.113   9.229
  114    H    GLY  18           H        GLY  18   5.967   3.457  11.409
  115    HA2  GLY  18           HA2      GLY  18   6.590   1.634  13.096
  116    HA3  GLY  18           HA3      GLY  18   6.898   0.671  11.659
  117    H    LEU  19           H        LEU  19   7.824   3.380  10.439
  118    HA   LEU  19           HA       LEU  19  10.545   3.237  11.560
  119    HB2  LEU  19           HB2      LEU  19   9.618   3.879   8.766
  120    HB3  LEU  19           HB3      LEU  19  11.280   4.069   9.321
  121    HG   LEU  19           HG       LEU  19   9.809   1.438   9.296
  122   HD11  LEU  19          HD11      LEU  19  10.035   2.299   7.022
  123   HD12  LEU  19          HD12      LEU  19  11.088   0.911   7.292
  124   HD13  LEU  19          HD13      LEU  19  11.763   2.540   7.282
  125   HD21  LEU  19          HD21      LEU  19  11.819   0.445   9.863
  126   HD22  LEU  19          HD22      LEU  19  11.845   1.920  10.830
  127   HD23  LEU  19          HD23      LEU  19  12.773   1.829   9.332
  128    H    LYS  20           H        LYS  20  11.784   5.205  11.601
  129    HA   LYS  20           HA       LYS  20  10.079   7.578  11.949
  130    HB2  LYS  20           HB2      LYS  20  12.517   6.579  13.337
  131    HB3  LYS  20           HB3      LYS  20  12.316   8.320  13.198
  132    HG2  LYS  20           HG2      LYS  20  10.063   6.657  14.223
  133    HG3  LYS  20           HG3      LYS  20  11.415   7.058  15.284
  134    HD2  LYS  20           HD2      LYS  20  10.530   9.390  13.845
  135    HD3  LYS  20           HD3      LYS  20   9.179   8.640  14.700
  136    HE2  LYS  20           HE2      LYS  20  11.667   8.834  16.248
  137    HE3  LYS  20           HE3      LYS  20  10.949  10.383  15.810
  138    HZ1  LYS  20           HZ1      LYS  20  10.238   8.949  17.951
  139    HZ2  LYS  20           HZ2      LYS  20   9.088   8.416  16.830
  140    HZ3  LYS  20           HZ3      LYS  20   9.224  10.065  17.183
  141    H    CYS  21           H        CYS  21  10.736   9.581  11.129
  142    HA   CYS  21           HA       CYS  21  12.506   9.381   8.812
  143    HB2  CYS  21           HB2      CYS  21  10.393  10.345   8.285
  144    HB3  CYS  21           HB3      CYS  21  10.463  11.429   9.670
  145    H    ASP  22           H        ASP  22  14.553   9.484   9.674
  146    HA   ASP  22           HA       ASP  22  15.417  11.217  11.692
  147    HB2  ASP  22           HB2      ASP  22  16.598   9.176  10.554
  148    HB3  ASP  22           HB3      ASP  22  17.250  10.398   9.465
  149    H    SER  23           H        SER  23  14.950  13.340  11.544
  150    HA   SER  23           HA       SER  23  15.105  14.808   9.097
  151    HB2  SER  23           HB2      SER  23  13.540  15.428  10.904
  152    HB3  SER  23           HB3      SER  23  14.908  15.825  11.944
  153    HG   SER  23           HG       SER  23  14.047  17.124   9.587
  154    H    LYS  24           H        LYS  24  17.406  13.792  11.341
  155    HA   LYS  24           HA       LYS  24  19.224  16.016  10.962
  156    HB2  LYS  24           HB2      LYS  24  19.269  13.471  12.532
  157    HB3  LYS  24           HB3      LYS  24  20.789  14.289  12.190
  158    HG2  LYS  24           HG2      LYS  24  20.437  15.677  13.872
  159    HG3  LYS  24           HG3      LYS  24  18.930  16.221  13.131
  160    HD2  LYS  24           HD2      LYS  24  17.751  14.337  14.182
  161    HD3  LYS  24           HD3      LYS  24  19.260  13.830  14.945
  162    HE2  LYS  24           HE2      LYS  24  19.288  16.256  15.881
  163    HE3  LYS  24           HE3      LYS  24  17.568  16.236  15.495
  164    HZ1  LYS  24           HZ1      LYS  24  19.014  14.836  17.582
  165    HZ2  LYS  24           HZ2      LYS  24  17.827  13.924  16.795
  166    HZ3  LYS  24           HZ3      LYS  24  17.412  15.380  17.551
  167    H    ARG  25           H        ARG  25  18.972  12.629   9.958
  168    HA   ARG  25           HA       ARG  25  21.257  13.010   8.159
  169    HB2  ARG  25           HB2      ARG  25  19.810  10.478   8.960
  170    HB3  ARG  25           HB3      ARG  25  21.223  10.558   7.917
  171    HG2  ARG  25           HG2      ARG  25  22.105  11.888  10.116
  172    HG3  ARG  25           HG3      ARG  25  21.022  10.693  10.832
  173    HD2  ARG  25           HD2      ARG  25  23.200  10.036   8.856
  174    HD3  ARG  25           HD3      ARG  25  23.393   9.941  10.606
  175    HE   ARG  25           HE       ARG  25  22.060   8.059   8.917
  176   HH11  ARG  25          HH11      ARG  25  22.130   9.418  12.122
  177   HH12  ARG  25          HH12      ARG  25  21.420   8.025  12.869
  178   HH21  ARG  25          HH21      ARG  25  21.125   6.220   9.889
  179   HH22  ARG  25          HH22      ARG  25  20.850   6.206  11.598
  180    H    LYS  26           H        LYS  26  18.063  13.495   8.043
  181    HA   LYS  26           HA       LYS  26  16.461  13.546   6.422
  182    HB2  LYS  26           HB2      LYS  26  18.957  13.737   4.733
  183    HB3  LYS  26           HB3      LYS  26  17.335  13.979   4.099
  184    HG2  LYS  26           HG2      LYS  26  17.026  15.840   5.690
  185    HG3  LYS  26           HG3      LYS  26  18.696  15.626   6.221
  186    HD2  LYS  26           HD2      LYS  26  19.502  16.132   3.991
  187    HD3  LYS  26           HD3      LYS  26  17.846  16.247   3.392
  188    HE2  LYS  26           HE2      LYS  26  18.059  17.966   5.628
  189    HE3  LYS  26           HE3      LYS  26  19.463  18.262   4.604
  190    HZ1  LYS  26           HZ1      LYS  26  16.603  18.558   3.945
  191    HZ2  LYS  26           HZ2      LYS  26  17.750  18.347   2.720
  192    HZ3  LYS  26           HZ3      LYS  26  17.858  19.678   3.758
  193    H    VAL  27           H        VAL  27  16.950  10.987   7.326
  194    HA   VAL  27           HA       VAL  27  16.160   9.441   4.995
  195    HB   VAL  27           HB       VAL  27  17.736   7.575   5.633
  196   HG11  VAL  27          HG11      VAL  27  18.901  10.154   4.591
  197   HG12  VAL  27          HG12      VAL  27  19.662   8.569   4.438
  198   HG13  VAL  27          HG13      VAL  27  18.118   8.888   3.645
  199   HG21  VAL  27          HG21      VAL  27  19.383   7.823   7.169
  200   HG22  VAL  27          HG22      VAL  27  19.579   9.546   6.844
  201   HG23  VAL  27          HG23      VAL  27  18.247   8.985   7.854
  202    H    CYS  28           H        CYS  28  15.390   7.248   5.616
  203    HA   CYS  28           HA       CYS  28  13.813   7.440   8.035
  204    HB2  CYS  28           HB2      CYS  28  13.905   5.382   5.823
  205    HB3  CYS  28           HB3      CYS  28  12.822   5.281   7.207
  206    H    VAL  29           H        VAL  29  13.927   6.103   9.806
  207    HA   VAL  29           HA       VAL  29  16.045   4.081   9.882
  208    HB   VAL  29           HB       VAL  29  16.720   4.894  12.158
  209   HG11  VAL  29          HG11      VAL  29  17.838   5.429   9.869
  210   HG12  VAL  29          HG12      VAL  29  17.259   7.067  10.179
  211   HG13  VAL  29          HG13      VAL  29  18.357   6.288  11.319
  212   HG21  VAL  29          HG21      VAL  29  16.054   6.942  13.005
  213   HG22  VAL  29          HG22      VAL  29  15.524   7.538  11.433
  214   HG23  VAL  29          HG23      VAL  29  14.561   6.334  12.289
  215    H    LYS  30           H        LYS  30  15.940   2.951  12.146
  216    HA   LYS  30           HA       LYS  30  13.264   1.923  12.391
  217    HB2  LYS  30           HB2      LYS  30  15.280   0.474  12.514
  218    HB3  LYS  30           HB3      LYS  30  15.725   1.265  14.021
  219    HG2  LYS  30           HG2      LYS  30  14.384  -0.052  15.194
  220    HG3  LYS  30           HG3      LYS  30  13.015   0.288  14.132
  221    HD2  LYS  30           HD2      LYS  30  14.244  -1.351  12.508
  222    HD3  LYS  30           HD3      LYS  30  15.037  -1.908  13.984
  223    HE2  LYS  30           HE2      LYS  30  12.735  -2.182  14.975
  224    HE3  LYS  30           HE3      LYS  30  12.090  -1.890  13.361
  225    HZ1  LYS  30           HZ1      LYS  30  14.148  -3.888  13.402
  226    HZ2  LYS  30           HZ2      LYS  30  12.600  -3.947  12.722
  227    HZ3  LYS  30           HZ3      LYS  30  12.818  -4.305  14.361
  228    H    GLY  31           H        GLY  31  11.918   3.416  13.309
  229    HA2  GLY  31           HA2      GLY  31  12.550   5.134  15.431
  230    HA3  GLY  31           HA3      GLY  31  10.925   4.644  14.973
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   0.419   0.859  -0.254
    2    HA2  GLY   1           HA2      GLY   1   1.560  -0.910  -1.341
    3    HA3  GLY   1           HA3      GLY   1   1.937   0.492  -2.331
    4    H    TYR   2           H        TYR   2   3.799   1.847  -1.015
    5    HA   TYR   2           HA       TYR   2   5.834   0.178   0.117
    6    HB2  TYR   2           HB2      TYR   2   5.907  -0.240  -2.420
    7    HB3  TYR   2           HB3      TYR   2   6.527   1.402  -2.546
    8    HD1  TYR   2           HD1      TYR   2   8.588   1.927  -0.981
    9    HD2  TYR   2           HD2      TYR   2   7.416  -1.978  -2.198
   10    HE1  TYR   2           HE1      TYR   2  10.861   1.109  -0.523
   11    HE2  TYR   2           HE2      TYR   2   9.686  -2.807  -1.743
   12    HH   TYR   2           HH       TYR   2  12.230  -1.235  -1.629
   13    H    CYS   3           H        CYS   3   6.574   1.462   1.662
   14    HA   CYS   3           HA       CYS   3   6.743   4.349   1.177
   15    HB2  CYS   3           HB2      CYS   3   7.296   3.224   3.871
   16    HB3  CYS   3           HB3      CYS   3   6.416   4.680   3.417
   17    H    ALA   4           H        ALA   4   8.626   5.181   2.893
   18    HA   ALA   4           HA       ALA   4  11.070   4.238   1.627
   19    HB1  ALA   4           HB1      ALA   4  10.981   6.560   1.625
   20    HB2  ALA   4           HB2      ALA   4  10.363   6.636   3.275
   21    HB3  ALA   4           HB3      ALA   4  12.047   6.200   2.984
   22    H    THR   5           H        THR   5  12.016   2.524   2.524
   23    HA   THR   5           HA       THR   5  11.778   1.971   5.352
   24    HB   THR   5           HB       THR   5  13.402   0.046   4.686
   25    HG1  THR   5           HG1      THR   5  14.071   0.517   2.681
   26   HG21  THR   5          HG21      THR   5  11.107  -0.703   3.220
   27   HG22  THR   5          HG22      THR   5  10.567   0.391   4.493
   28   HG23  THR   5          HG23      THR   5  11.481  -1.059   4.906
   29    H    LYS   6           H        LYS   6  13.921   1.143   6.416
   30    HA   LYS   6           HA       LYS   6  15.504   3.272   7.069
   31    HB2  LYS   6           HB2      LYS   6  15.463   1.116   8.282
   32    HB3  LYS   6           HB3      LYS   6  16.394   0.383   6.982
   33    HG2  LYS   6           HG2      LYS   6  18.294   1.726   7.478
   34    HG3  LYS   6           HG3      LYS   6  17.368   2.720   8.606
   35    HD2  LYS   6           HD2      LYS   6  18.693   1.196   9.887
   36    HD3  LYS   6           HD3      LYS   6  17.011   0.671   9.994
   37    HE2  LYS   6           HE2      LYS   6  18.268  -1.289   9.635
   38    HE3  LYS   6           HE3      LYS   6  17.529  -0.907   8.080
   39    HZ1  LYS   6           HZ1      LYS   6  19.718  -1.400   7.554
   40    HZ2  LYS   6           HZ2      LYS   6  20.345  -0.602   8.906
   41    HZ3  LYS   6           HZ3      LYS   6  19.723   0.291   7.611
   42    H    GLY   7           H        GLY   7  17.235   4.311   6.246
   43    HA2  GLY   7           HA2      GLY   7  19.196   4.528   4.948
   44    HA3  GLY   7           HA3      GLY   7  18.724   3.099   4.039
   45    H    ILE   8           H        ILE   8  15.943   4.311   3.813
   46    HA   ILE   8           HA       ILE   8  16.481   5.741   1.351
   47    HB   ILE   8           HB       ILE   8  13.787   5.134   2.565
   48   HG12  ILE   8          HG12      ILE   8  15.124   3.068   2.301
   49   HG13  ILE   8          HG13      ILE   8  13.748   3.114   1.204
   50   HG21  ILE   8          HG21      ILE   8  13.603   6.760   0.847
   51   HG22  ILE   8          HG22      ILE   8  14.707   5.873  -0.203
   52   HG23  ILE   8          HG23      ILE   8  13.105   5.222   0.143
   53   HD11  ILE   8          HD11      ILE   8  15.966   4.265  -0.129
   54   HD12  ILE   8          HD12      ILE   8  16.484   2.743   0.596
   55   HD13  ILE   8          HD13      ILE   8  15.104   2.772  -0.502
   56    H    LYS   9           H        LYS   9  16.208   7.871   0.992
   57    HA   LYS   9           HA       LYS   9  16.311   9.734   3.022
   58    HB2  LYS   9           HB2      LYS   9  15.130  10.193   0.277
   59    HB3  LYS   9           HB3      LYS   9  15.804  11.417   1.344
   60    HG2  LYS   9           HG2      LYS   9  17.313   9.172   0.022
   61    HG3  LYS   9           HG3      LYS   9  17.369  10.882  -0.414
   62    HD2  LYS   9           HD2      LYS   9  17.998  11.029   2.207
   63    HD3  LYS   9           HD3      LYS   9  18.667   9.444   1.812
   64    HE2  LYS   9           HE2      LYS   9  20.118  10.334   0.204
   65    HE3  LYS   9           HE3      LYS   9  19.222  11.849   0.105
   66    HZ1  LYS   9           HZ1      LYS   9  21.438  11.300   1.675
   67    HZ2  LYS   9           HZ2      LYS   9  20.137  11.447   2.745
   68    HZ3  LYS   9           HZ3      LYS   9  20.500  12.708   1.677
   69    H    CYS  10           H        CYS  10  14.842  11.041   4.074
   70    HA   CYS  10           HA       CYS  10  12.001  10.342   3.728
   71    HB2  CYS  10           HB2      CYS  10  11.661  10.168   6.008
   72    HB3  CYS  10           HB3      CYS  10  13.290   9.516   5.863
   73    H    ASN  11           H        ASN  11  14.081  12.672   3.118
   74    HA   ASN  11           HA       ASN  11  13.045  14.973   4.377
   75    HB2  ASN  11           HB2      ASN  11  14.104  16.151   2.348
   76    HB3  ASN  11           HB3      ASN  11  15.169  15.224   3.400
   77   HD21  ASN  11          HD21      ASN  11  13.209  14.895   0.471
   78   HD22  ASN  11          HD22      ASN  11  14.302  13.838  -0.350
   79    H    ASP  12           H        ASP  12  12.004  13.121   1.631
   80    HA   ASP  12           HA       ASP  12   9.818  15.051   1.203
   81    HB2  ASP  12           HB2      ASP  12  11.433  13.481  -0.785
   82    HB3  ASP  12           HB3      ASP  12   9.794  13.995  -1.174
   83    H    ILE  13           H        ILE  13  10.641  11.655   0.468
   84    HA   ILE  13           HA       ILE  13   7.903  10.830   0.595
   85    HB   ILE  13           HB       ILE  13   9.553   9.688  -0.844
   86   HG12  ILE  13          HG12      ILE  13   8.710   7.585   1.089
   87   HG13  ILE  13          HG13      ILE  13   7.452   8.600   0.394
   88   HG21  ILE  13          HG21      ILE  13  10.678   8.531   1.699
   89   HG22  ILE  13          HG22      ILE  13  11.244   8.259   0.052
   90   HG23  ILE  13          HG23      ILE  13  11.431   9.846   0.796
   91   HD11  ILE  13          HD11      ILE  13   7.510   7.477  -1.512
   92   HD12  ILE  13          HD12      ILE  13   9.260   7.657  -1.639
   93   HD13  ILE  13          HD13      ILE  13   8.575   6.320  -0.715
   94    H    HIS  14           H        HIS  14   6.911   9.508   2.137
   95    HA   HIS  14           HA       HIS  14   8.012   9.800   4.829
   96    HB2  HIS  14           HB2      HIS  14   5.282   9.349   3.705
   97    HB3  HIS  14           HB3      HIS  14   5.615   8.799   5.345
   98    HD1  HIS  14           HD1      HIS  14   6.641  10.786   6.953
   99    HD2  HIS  14           HD2      HIS  14   4.540  11.948   3.562
  100    HE1  HIS  14           HE1      HIS  14   5.993  13.183   7.352
  101    H    CYS  15           H        CYS  15   8.137   8.045   6.292
  102    HA   CYS  15           HA       CYS  15   8.773   5.524   4.982
  103    HB2  CYS  15           HB2      CYS  15   9.056   5.954   7.930
  104    HB3  CYS  15           HB3      CYS  15  10.061   5.006   6.838
  105    H    CYS  16           H        CYS  16   7.975   3.494   5.748
  106    HA   CYS  16           HA       CYS  16   5.183   3.453   6.149
  107    HB2  CYS  16           HB2      CYS  16   7.357   1.443   6.002
  108    HB3  CYS  16           HB3      CYS  16   5.888   0.941   6.834
  109    H    SER  17           H        SER  17   3.984   2.637   7.945
  110    HA   SER  17           HA       SER  17   4.522   3.815  10.376
  111    HB2  SER  17           HB2      SER  17   2.374   2.585   9.424
  112    HB3  SER  17           HB3      SER  17   3.003   1.243  10.379
  113    HG   SER  17           HG       SER  17   1.917   3.656  11.199
  114    H    GLY  18           H        GLY  18   5.994   3.456  11.892
  115    HA2  GLY  18           HA2      GLY  18   6.806   1.752  13.515
  116    HA3  GLY  18           HA3      GLY  18   7.118   0.731  12.119
  117    H    LEU  19           H        LEU  19   8.022   3.258  10.664
  118    HA   LEU  19           HA       LEU  19  10.749   3.241  11.761
  119    HB2  LEU  19           HB2      LEU  19   9.706   3.793   8.993
  120    HB3  LEU  19           HB3      LEU  19  11.375   4.089   9.475
  121    HG   LEU  19           HG       LEU  19  10.035   1.387   9.542
  122   HD11  LEU  19          HD11      LEU  19  10.250   2.285   7.250
  123   HD12  LEU  19          HD12      LEU  19  11.259   0.868   7.535
  124   HD13  LEU  19          HD13      LEU  19  11.983   2.476   7.516
  125   HD21  LEU  19          HD21      LEU  19  12.959   2.095   9.703
  126   HD22  LEU  19          HD22      LEU  19  12.218   0.511   9.932
  127   HD23  LEU  19          HD23      LEU  19  11.943   1.792  11.113
  128    H    LYS  20           H        LYS  20  11.948   5.198  11.848
  129    HA   LYS  20           HA       LYS  20  10.240   7.562  12.201
  130    HB2  LYS  20           HB2      LYS  20  12.761   6.612  13.475
  131    HB3  LYS  20           HB3      LYS  20  12.510   8.348  13.347
  132    HG2  LYS  20           HG2      LYS  20  10.429   6.544  14.529
  133    HG3  LYS  20           HG3      LYS  20  11.761   7.188  15.491
  134    HD2  LYS  20           HD2      LYS  20  11.032   9.482  14.574
  135    HD3  LYS  20           HD3      LYS  20   9.532   8.665  14.129
  136    HE2  LYS  20           HE2      LYS  20  10.709   8.737  16.906
  137    HE3  LYS  20           HE3      LYS  20   9.414   9.786  16.331
  138    HZ1  LYS  20           HZ1      LYS  20   8.239   8.117  17.333
  139    HZ2  LYS  20           HZ2      LYS  20   9.350   6.911  16.920
  140    HZ3  LYS  20           HZ3      LYS  20   8.296   7.527  15.748
  141    H    CYS  21           H        CYS  21  10.790   9.548  11.301
  142    HA   CYS  21           HA       CYS  21  12.494   9.362   8.934
  143    HB2  CYS  21           HB2      CYS  21  10.334  10.241   8.454
  144    HB3  CYS  21           HB3      CYS  21  10.408  11.355   9.816
  145    H    ASP  22           H        ASP  22  14.564   9.562   9.714
  146    HA   ASP  22           HA       ASP  22  15.422  11.373  11.674
  147    HB2  ASP  22           HB2      ASP  22  16.638   9.337  10.569
  148    HB3  ASP  22           HB3      ASP  22  17.221  10.542   9.424
  149    H    SER  23           H        SER  23  14.882  13.475  11.474
  150    HA   SER  23           HA       SER  23  14.936  14.872   8.980
  151    HB2  SER  23           HB2      SER  23  13.475  15.375  11.043
  152    HB3  SER  23           HB3      SER  23  14.898  16.192  11.689
  153    HG   SER  23           HG       SER  23  13.135  17.042   9.827
  154    H    LYS  24           H        LYS  24  17.311  14.005  11.211
  155    HA   LYS  24           HA       LYS  24  19.045  16.276  10.721
  156    HB2  LYS  24           HB2      LYS  24  19.215  13.786  12.375
  157    HB3  LYS  24           HB3      LYS  24  20.690  14.664  11.989
  158    HG2  LYS  24           HG2      LYS  24  19.278  16.715  12.867
  159    HG3  LYS  24           HG3      LYS  24  18.415  15.440  13.729
  160    HD2  LYS  24           HD2      LYS  24  20.541  14.658  14.677
  161    HD3  LYS  24           HD3      LYS  24  21.388  15.955  13.831
  162    HE2  LYS  24           HE2      LYS  24  20.358  17.619  15.138
  163    HE3  LYS  24           HE3      LYS  24  19.134  16.502  15.741
  164    HZ1  LYS  24           HZ1      LYS  24  20.958  15.295  16.883
  165    HZ2  LYS  24           HZ2      LYS  24  20.721  16.869  17.456
  166    HZ3  LYS  24           HZ3      LYS  24  22.021  16.531  16.428
  167    H    ARG  25           H        ARG  25  18.873  12.854   9.831
  168    HA   ARG  25           HA       ARG  25  21.128  13.232   7.995
  169    HB2  ARG  25           HB2      ARG  25  19.761  10.732   8.999
  170    HB3  ARG  25           HB3      ARG  25  21.038  10.733   7.790
  171    HG2  ARG  25           HG2      ARG  25  21.564  12.098  10.373
  172    HG3  ARG  25           HG3      ARG  25  21.539  10.333  10.346
  173    HD2  ARG  25           HD2      ARG  25  23.309  10.227   8.803
  174    HD3  ARG  25           HD3      ARG  25  23.147  11.930   8.376
  175    HE   ARG  25           HE       ARG  25  23.791  11.642  11.120
  176   HH11  ARG  25          HH11      ARG  25  25.175  11.436   7.932
  177   HH12  ARG  25          HH12      ARG  25  26.778  11.830   8.460
  178   HH21  ARG  25          HH21      ARG  25  25.897  12.161  11.828
  179   HH22  ARG  25          HH22      ARG  25  27.187  12.241  10.676
  180    H    LYS  26           H        LYS  26  17.911  13.619   7.910
  181    HA   LYS  26           HA       LYS  26  16.295  13.592   6.305
  182    HB2  LYS  26           HB2      LYS  26  18.805  13.884   4.668
  183    HB3  LYS  26           HB3      LYS  26  17.212  13.888   3.924
  184    HG2  LYS  26           HG2      LYS  26  16.952  16.028   4.409
  185    HG3  LYS  26           HG3      LYS  26  17.217  15.706   6.125
  186    HD2  LYS  26           HD2      LYS  26  19.736  15.626   5.404
  187    HD3  LYS  26           HD3      LYS  26  19.160  16.568   4.027
  188    HE2  LYS  26           HE2      LYS  26  18.231  18.235   5.538
  189    HE3  LYS  26           HE3      LYS  26  18.740  17.280   6.930
  190    HZ1  LYS  26           HZ1      LYS  26  20.548  18.573   6.838
  191    HZ2  LYS  26           HZ2      LYS  26  20.287  19.030   5.230
  192    HZ3  LYS  26           HZ3      LYS  26  21.040  17.556   5.578
  193    H    VAL  27           H        VAL  27  16.860  11.074   7.275
  194    HA   VAL  27           HA       VAL  27  16.076   9.442   5.002
  195    HB   VAL  27           HB       VAL  27  17.714   7.637   5.666
  196   HG11  VAL  27          HG11      VAL  27  19.578   8.632   4.391
  197   HG12  VAL  27          HG12      VAL  27  18.010   8.911   3.630
  198   HG13  VAL  27          HG13      VAL  27  18.801  10.209   4.526
  199   HG21  VAL  27          HG21      VAL  27  19.402   7.987   7.143
  200   HG22  VAL  27          HG22      VAL  27  19.511   9.710   6.782
  201   HG23  VAL  27          HG23      VAL  27  18.229   9.109   7.834
  202    H    CYS  28           H        CYS  28  15.368   7.253   5.692
  203    HA   CYS  28           HA       CYS  28  13.852   7.467   8.152
  204    HB2  CYS  28           HB2      CYS  28  13.909   5.276   6.066
  205    HB3  CYS  28           HB3      CYS  28  12.765   5.389   7.400
  206    H    VAL  29           H        VAL  29  13.988   6.085   9.909
  207    HA   VAL  29           HA       VAL  29  16.157   4.120   9.954
  208    HB   VAL  29           HB       VAL  29  16.970   4.937  12.129
  209   HG11  VAL  29          HG11      VAL  29  17.078   7.163  10.106
  210   HG12  VAL  29          HG12      VAL  29  18.303   6.709  11.292
  211   HG13  VAL  29          HG13      VAL  29  17.965   5.650   9.922
  212   HG21  VAL  29          HG21      VAL  29  14.679   6.716  11.844
  213   HG22  VAL  29          HG22      VAL  29  15.567   6.235  13.291
  214   HG23  VAL  29          HG23      VAL  29  16.162   7.561  12.291
  215    H    LYS  30           H        LYS  30  16.126   3.024  12.248
  216    HA   LYS  30           HA       LYS  30  13.490   1.920  12.547
  217    HB2  LYS  30           HB2      LYS  30  16.204   1.322  13.601
  218    HB3  LYS  30           HB3      LYS  30  14.835   0.767  14.556
  219    HG2  LYS  30           HG2      LYS  30  14.377   0.102  11.823
  220    HG3  LYS  30           HG3      LYS  30  15.992  -0.440  12.286
  221    HD2  LYS  30           HD2      LYS  30  15.198  -1.999  13.715
  222    HD3  LYS  30           HD3      LYS  30  13.861  -0.978  14.249
  223    HE2  LYS  30           HE2      LYS  30  12.846  -1.426  11.942
  224    HE3  LYS  30           HE3      LYS  30  14.037  -2.718  11.807
  225    HZ1  LYS  30           HZ1      LYS  30  13.137  -3.623  13.915
  226    HZ2  LYS  30           HZ2      LYS  30  12.021  -3.634  12.644
  227    HZ3  LYS  30           HZ3      LYS  30  11.908  -2.461  13.858
  228    H    GLY  31           H        GLY  31  11.987   3.041  13.616
  229    HA2  GLY  31           HA2      GLY  31  12.673   4.879  15.728
  230    HA3  GLY  31           HA3      GLY  31  11.055   4.508  15.149
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   1.795  -2.255   0.836
    2    HA2  GLY   1           HA2      GLY   1   3.789  -0.741   1.988
    3    HA3  GLY   1           HA3      GLY   1   4.052  -2.321   1.265
    4    H    TYR   2           H        TYR   2   4.278   1.121   0.815
    5    HA   TYR   2           HA       TYR   2   6.293   0.750  -1.213
    6    HB2  TYR   2           HB2      TYR   2   3.907   0.807  -2.310
    7    HB3  TYR   2           HB3      TYR   2   4.033   2.539  -2.025
    8    HD1  TYR   2           HD1      TYR   2   5.778  -0.313  -3.655
    9    HD2  TYR   2           HD2      TYR   2   5.208   3.901  -3.521
   10    HE1  TYR   2           HE1      TYR   2   7.089  -0.077  -5.722
   11    HE2  TYR   2           HE2      TYR   2   6.517   4.149  -5.589
   12    HH   TYR   2           HH       TYR   2   8.381   1.609  -6.899
   13    H    CYS   3           H        CYS   3   6.360   1.802   1.389
   14    HA   CYS   3           HA       CYS   3   6.566   4.702   1.006
   15    HB2  CYS   3           HB2      CYS   3   7.105   3.476   3.658
   16    HB3  CYS   3           HB3      CYS   3   6.244   4.958   3.257
   17    H    ALA   4           H        ALA   4   8.460   5.429   2.775
   18    HA   ALA   4           HA       ALA   4  10.891   4.529   1.458
   19    HB1  ALA   4           HB1      ALA   4  10.833   6.847   1.594
   20    HB2  ALA   4           HB2      ALA   4  10.213   6.834   3.245
   21    HB3  ALA   4           HB3      ALA   4  11.892   6.395   2.930
   22    H    THR   5           H        THR   5  11.816   2.753   2.250
   23    HA   THR   5           HA       THR   5  11.576   2.041   5.043
   24    HB   THR   5           HB       THR   5  13.174   0.135   4.254
   25    HG1  THR   5           HG1      THR   5  13.812   0.821   2.269
   26   HG21  THR   5          HG21      THR   5  11.242  -0.958   4.441
   27   HG22  THR   5          HG22      THR   5  10.850  -0.504   2.782
   28   HG23  THR   5          HG23      THR   5  10.342   0.524   4.122
   29    H    LYS   6           H        LYS   6  13.691   1.143   6.075
   30    HA   LYS   6           HA       LYS   6  15.321   3.215   6.806
   31    HB2  LYS   6           HB2      LYS   6  16.701   1.648   7.866
   32    HB3  LYS   6           HB3      LYS   6  15.138   0.844   7.789
   33    HG2  LYS   6           HG2      LYS   6  15.897  -0.387   5.796
   34    HG3  LYS   6           HG3      LYS   6  17.479   0.381   5.951
   35    HD2  LYS   6           HD2      LYS   6  18.107  -1.168   7.416
   36    HD3  LYS   6           HD3      LYS   6  16.757  -0.741   8.471
   37    HE2  LYS   6           HE2      LYS   6  15.455  -2.450   7.722
   38    HE3  LYS   6           HE3      LYS   6  16.148  -2.413   6.101
   39    HZ1  LYS   6           HZ1      LYS   6  18.231  -3.326   7.233
   40    HZ2  LYS   6           HZ2      LYS   6  16.932  -4.384   7.005
   41    HZ3  LYS   6           HZ3      LYS   6  17.214  -3.708   8.530
   42    H    GLY   7           H        GLY   7  17.156   4.174   6.077
   43    HA2  GLY   7           HA2      GLY   7  19.088   4.427   4.775
   44    HA3  GLY   7           HA3      GLY   7  18.626   3.005   3.852
   45    H    ILE   8           H        ILE   8  15.847   4.464   3.778
   46    HA   ILE   8           HA       ILE   8  16.417   5.803   1.251
   47    HB   ILE   8           HB       ILE   8  13.729   5.224   2.498
   48   HG12  ILE   8          HG12      ILE   8  15.031   3.158   2.084
   49   HG13  ILE   8          HG13      ILE   8  13.621   3.279   1.037
   50   HG21  ILE   8          HG21      ILE   8  13.131   5.359  -0.034
   51   HG22  ILE   8          HG22      ILE   8  13.319   6.838   0.906
   52   HG23  ILE   8          HG23      ILE   8  14.626   6.289  -0.142
   53   HD11  ILE   8          HD11      ILE   8  16.292   2.849   0.302
   54   HD12  ILE   8          HD12      ILE   8  14.897   3.079  -0.753
   55   HD13  ILE   8          HD13      ILE   8  15.869   4.466  -0.261
   56    H    LYS   9           H        LYS   9  16.359   7.942   0.965
   57    HA   LYS   9           HA       LYS   9  16.421   9.766   3.033
   58    HB2  LYS   9           HB2      LYS   9  15.536  10.271   0.186
   59    HB3  LYS   9           HB3      LYS   9  16.061  11.502   1.326
   60    HG2  LYS   9           HG2      LYS   9  18.014   9.379   1.036
   61    HG3  LYS   9           HG3      LYS   9  17.642  10.168  -0.499
   62    HD2  LYS   9           HD2      LYS   9  18.162  12.332   0.441
   63    HD3  LYS   9           HD3      LYS   9  18.405  11.616   2.037
   64    HE2  LYS   9           HE2      LYS   9  20.211  10.191   0.922
   65    HE3  LYS   9           HE3      LYS   9  20.092  11.316  -0.431
   66    HZ1  LYS   9           HZ1      LYS   9  21.386  11.649   2.090
   67    HZ2  LYS   9           HZ2      LYS   9  20.309  12.914   1.776
   68    HZ3  LYS   9           HZ3      LYS   9  21.542  12.561   0.674
   69    H    CYS  10           H        CYS  10  14.959  11.046   4.078
   70    HA   CYS  10           HA       CYS  10  12.115  10.572   3.468
   71    HB2  CYS  10           HB2      CYS  10  11.583  10.425   5.735
   72    HB3  CYS  10           HB3      CYS  10  13.110   9.553   5.636
   73    H    ASN  11           H        ASN  11  14.248  12.762   2.904
   74    HA   ASN  11           HA       ASN  11  13.507  15.108   4.237
   75    HB2  ASN  11           HB2      ASN  11  15.514  15.194   3.002
   76    HB3  ASN  11           HB3      ASN  11  14.740  14.592   1.539
   77   HD21  ASN  11          HD21      ASN  11  14.966  17.342   3.712
   78   HD22  ASN  11          HD22      ASN  11  14.512  18.535   2.547
   79    H    ASP  12           H        ASP  12  11.877  13.289   1.833
   80    HA   ASP  12           HA       ASP  12   9.792  15.349   1.707
   81    HB2  ASP  12           HB2      ASP  12   9.489  14.500  -0.755
   82    HB3  ASP  12           HB3      ASP  12  10.698  15.727  -0.390
   83    H    ILE  13           H        ILE  13  10.524  12.017   0.661
   84    HA   ILE  13           HA       ILE  13   7.796  11.187   0.905
   85    HB   ILE  13           HB       ILE  13   9.387  10.140  -0.689
   86   HG12  ILE  13          HG12      ILE  13   8.410   8.055   1.251
   87   HG13  ILE  13          HG13      ILE  13   7.286   9.020   0.300
   88   HG21  ILE  13          HG21      ILE  13  11.055   8.584   0.067
   89   HG22  ILE  13          HG22      ILE  13  11.331  10.138   0.850
   90   HG23  ILE  13          HG23      ILE  13  10.574   8.822   1.747
   91   HD11  ILE  13          HD11      ILE  13   7.518   7.133  -0.986
   92   HD12  ILE  13          HD12      ILE  13   8.714   8.208  -1.710
   93   HD13  ILE  13          HD13      ILE  13   9.227   6.944  -0.593
   94    H    HIS  14           H        HIS  14   6.863   9.861   2.451
   95    HA   HIS  14           HA       HIS  14   8.169   9.933   5.064
   96    HB2  HIS  14           HB2      HIS  14   5.340   9.636   4.136
   97    HB3  HIS  14           HB3      HIS  14   5.786   9.040   5.731
   98    HD1  HIS  14           HD1      HIS  14   5.968  12.271   3.739
   99    HD2  HIS  14           HD2      HIS  14   5.730  10.939   7.667
  100    HE1  HIS  14           HE1      HIS  14   5.707  14.345   5.138
  101    H    CYS  15           H        CYS  15   8.162   8.063   6.451
  102    HA   CYS  15           HA       CYS  15   8.696   5.624   4.953
  103    HB2  CYS  15           HB2      CYS  15   8.989   5.809   7.924
  104    HB3  CYS  15           HB3      CYS  15   9.962   4.917   6.759
  105    H    CYS  16           H        CYS  16   7.811   3.578   5.562
  106    HA   CYS  16           HA       CYS  16   5.023   3.609   5.938
  107    HB2  CYS  16           HB2      CYS  16   7.128   1.534   5.712
  108    HB3  CYS  16           HB3      CYS  16   5.630   1.039   6.494
  109    H    SER  17           H        SER  17   3.780   2.665   7.667
  110    HA   SER  17           HA       SER  17   4.278   3.718  10.164
  111    HB2  SER  17           HB2      SER  17   2.711   1.172   9.738
  112    HB3  SER  17           HB3      SER  17   2.457   2.407  10.971
  113    HG   SER  17           HG       SER  17   1.476   2.277   8.464
  114    H    GLY  18           H        GLY  18   5.989   3.352  11.414
  115    HA2  GLY  18           HA2      GLY  18   6.706   1.550  13.061
  116    HA3  GLY  18           HA3      GLY  18   7.004   0.588  11.621
  117    H    LEU  19           H        LEU  19   7.849   3.338  10.401
  118    HA   LEU  19           HA       LEU  19  10.590   3.254  11.480
  119    HB2  LEU  19           HB2      LEU  19   9.641   3.839   8.680
  120    HB3  LEU  19           HB3      LEU  19  11.306   4.027   9.227
  121    HG   LEU  19           HG       LEU  19   9.817   1.405   9.233
  122   HD11  LEU  19          HD11      LEU  19  11.101   0.846   7.241
  123   HD12  LEU  19          HD12      LEU  19  11.787   2.470   7.215
  124   HD13  LEU  19          HD13      LEU  19  10.059   2.240   6.950
  125   HD21  LEU  19          HD21      LEU  19  12.785   1.789   9.286
  126   HD22  LEU  19          HD22      LEU  19  11.827   0.402   9.805
  127   HD23  LEU  19          HD23      LEU  19  11.843   1.876  10.774
  128    H    LYS  20           H        LYS  20  11.732   5.207  11.677
  129    HA   LYS  20           HA       LYS  20   9.996   7.564  11.898
  130    HB2  LYS  20           HB2      LYS  20  11.486   8.413  13.526
  131    HB3  LYS  20           HB3      LYS  20  11.304   6.704  13.901
  132    HG2  LYS  20           HG2      LYS  20  13.522   6.627  13.962
  133    HG3  LYS  20           HG3      LYS  20  13.469   6.745  12.202
  134    HD2  LYS  20           HD2      LYS  20  14.606   8.651  12.363
  135    HD3  LYS  20           HD3      LYS  20  13.195   9.368  13.146
  136    HE2  LYS  20           HE2      LYS  20  15.184   7.767  14.716
  137    HE3  LYS  20           HE3      LYS  20  15.480   9.465  14.349
  138    HZ1  LYS  20           HZ1      LYS  20  14.339   9.813  16.225
  139    HZ2  LYS  20           HZ2      LYS  20  13.622   8.281  16.215
  140    HZ3  LYS  20           HZ3      LYS  20  12.964   9.528  15.280
  141    H    CYS  21           H        CYS  21  10.680   9.594  11.114
  142    HA   CYS  21           HA       CYS  21  12.430   9.392   8.782
  143    HB2  CYS  21           HB2      CYS  21  10.316  10.381   8.289
  144    HB3  CYS  21           HB3      CYS  21  10.426  11.466   9.672
  145    H    ASP  22           H        ASP  22  14.480   9.451   9.658
  146    HA   ASP  22           HA       ASP  22  15.381  11.161  11.673
  147    HB2  ASP  22           HB2      ASP  22  16.522   9.121  10.449
  148    HB3  ASP  22           HB3      ASP  22  17.217  10.388   9.442
  149    H    SER  23           H        SER  23  14.925  13.289  11.547
  150    HA   SER  23           HA       SER  23  15.086  14.781   9.114
  151    HB2  SER  23           HB2      SER  23  13.608  15.256  11.177
  152    HB3  SER  23           HB3      SER  23  15.050  16.002  11.867
  153    HG   SER  23           HG       SER  23  13.754  17.525  10.764
  154    H    LYS  24           H        LYS  24  17.380  13.728  11.348
  155    HA   LYS  24           HA       LYS  24  19.211  15.945  10.994
  156    HB2  LYS  24           HB2      LYS  24  19.579  13.263  12.341
  157    HB3  LYS  24           HB3      LYS  24  20.753  14.572  12.362
  158    HG2  LYS  24           HG2      LYS  24  19.302  15.959  13.641
  159    HG3  LYS  24           HG3      LYS  24  17.958  14.832  13.441
  160    HD2  LYS  24           HD2      LYS  24  18.620  13.617  15.190
  161    HD3  LYS  24           HD3      LYS  24  20.271  13.519  14.575
  162    HE2  LYS  24           HE2      LYS  24  19.189  15.956  15.970
  163    HE3  LYS  24           HE3      LYS  24  19.969  14.631  16.832
  164    HZ1  LYS  24           HZ1      LYS  24  21.136  16.715  15.227
  165    HZ2  LYS  24           HZ2      LYS  24  21.727  15.174  14.858
  166    HZ3  LYS  24           HZ3      LYS  24  21.835  15.765  16.439
  167    H    ARG  25           H        ARG  25  18.950  12.565   9.963
  168    HA   ARG  25           HA       ARG  25  21.231  12.958   8.162
  169    HB2  ARG  25           HB2      ARG  25  19.784  10.419   8.940
  170    HB3  ARG  25           HB3      ARG  25  21.202  10.511   7.904
  171    HG2  ARG  25           HG2      ARG  25  22.516  11.386   9.757
  172    HG3  ARG  25           HG3      ARG  25  21.093  11.331  10.799
  173    HD2  ARG  25           HD2      ARG  25  21.146   9.057  10.986
  174    HD3  ARG  25           HD3      ARG  25  21.880   8.836   9.398
  175    HE   ARG  25           HE       ARG  25  23.732  10.093  11.089
  176   HH11  ARG  25          HH11      ARG  25  22.144   7.023  10.672
  177   HH12  ARG  25          HH12      ARG  25  23.439   6.110  11.373
  178   HH21  ARG  25          HH21      ARG  25  25.444   8.902  12.014
  179   HH22  ARG  25          HH22      ARG  25  25.316   7.180  12.137
  180    H    LYS  26           H        LYS  26  18.038  13.447   8.055
  181    HA   LYS  26           HA       LYS  26  16.432  13.509   6.439
  182    HB2  LYS  26           HB2      LYS  26  18.944  13.748   4.784
  183    HB3  LYS  26           HB3      LYS  26  17.333  13.921   4.099
  184    HG2  LYS  26           HG2      LYS  26  16.932  15.909   5.202
  185    HG3  LYS  26           HG3      LYS  26  18.143  15.584   6.444
  186    HD2  LYS  26           HD2      LYS  26  19.390  15.655   3.861
  187    HD3  LYS  26           HD3      LYS  26  18.437  17.121   4.106
  188    HE2  LYS  26           HE2      LYS  26  20.004  16.327   6.442
  189    HE3  LYS  26           HE3      LYS  26  20.985  16.698   5.026
  190    HZ1  LYS  26           HZ1      LYS  26  20.477  18.619   6.527
  191    HZ2  LYS  26           HZ2      LYS  26  18.864  18.506   6.032
  192    HZ3  LYS  26           HZ3      LYS  26  20.073  18.856   4.901
  193    H    VAL  27           H        VAL  27  16.903  10.948   7.321
  194    HA   VAL  27           HA       VAL  27  16.122   9.419   4.976
  195    HB   VAL  27           HB       VAL  27  17.689   7.547   5.596
  196   HG11  VAL  27          HG11      VAL  27  18.879  10.137   4.612
  197   HG12  VAL  27          HG12      VAL  27  19.629   8.550   4.436
  198   HG13  VAL  27          HG13      VAL  27  18.096   8.896   3.635
  199   HG21  VAL  27          HG21      VAL  27  19.521   9.493   6.862
  200   HG22  VAL  27          HG22      VAL  27  18.181   8.908   7.847
  201   HG23  VAL  27          HG23      VAL  27  19.327   7.764   7.150
  202    H    CYS  28           H        CYS  28  15.450   7.157   5.624
  203    HA   CYS  28           HA       CYS  28  13.839   7.356   8.037
  204    HB2  CYS  28           HB2      CYS  28  13.896   5.317   5.805
  205    HB3  CYS  28           HB3      CYS  28  12.807   5.236   7.185
  206    H    VAL  29           H        VAL  29  14.015   6.061   9.813
  207    HA   VAL  29           HA       VAL  29  15.917   3.863   9.835
  208    HB   VAL  29           HB       VAL  29  17.109   4.705  11.820
  209   HG11  VAL  29          HG11      VAL  29  17.252   6.559   9.444
  210   HG12  VAL  29          HG12      VAL  29  18.507   6.342  10.666
  211   HG13  VAL  29          HG13      VAL  29  18.077   5.007   9.596
  212   HG21  VAL  29          HG21      VAL  29  15.345   7.082  11.369
  213   HG22  VAL  29          HG22      VAL  29  15.686   6.215  12.867
  214   HG23  VAL  29          HG23      VAL  29  16.914   7.261  12.154
  215    H    LYS  30           H        LYS  30  15.937   2.800  12.057
  216    HA   LYS  30           HA       LYS  30  13.265   2.188  12.786
  217    HB2  LYS  30           HB2      LYS  30  15.459   0.759  12.942
  218    HB3  LYS  30           HB3      LYS  30  15.598   1.496  14.533
  219    HG2  LYS  30           HG2      LYS  30  13.631   0.490  15.299
  220    HG3  LYS  30           HG3      LYS  30  13.094   0.095  13.665
  221    HD2  LYS  30           HD2      LYS  30  13.893  -1.898  14.811
  222    HD3  LYS  30           HD3      LYS  30  14.945  -1.501  13.450
  223    HE2  LYS  30           HE2      LYS  30  15.707  -0.304  16.028
  224    HE3  LYS  30           HE3      LYS  30  15.821  -2.062  15.952
  225    HZ1  LYS  30           HZ1      LYS  30  17.596  -0.172  14.913
  226    HZ2  LYS  30           HZ2      LYS  30  16.912  -0.994  13.602
  227    HZ3  LYS  30           HZ3      LYS  30  17.699  -1.858  14.826
  228    H    GLY  31           H        GLY  31  11.968   3.106  14.241
  229    HA2  GLY  31           HA2      GLY  31  13.177   4.693  16.406
  230    HA3  GLY  31           HA3      GLY  31  11.930   5.410  15.397
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   1.195   1.124  -0.090
    2    HA2  GLY   1           HA2      GLY   1   1.809  -0.747  -2.285
    3    HA3  GLY   1           HA3      GLY   1   2.099   0.986  -2.326
    4    H    TYR   2           H        TYR   2   3.878   1.850  -1.181
    5    HA   TYR   2           HA       TYR   2   5.695   0.175   0.251
    6    HB2  TYR   2           HB2      TYR   2   6.121  -0.491  -2.137
    7    HB3  TYR   2           HB3      TYR   2   6.641   1.162  -2.444
    8    HD1  TYR   2           HD1      TYR   2   7.481  -1.997  -0.788
    9    HD2  TYR   2           HD2      TYR   2   8.755   1.983  -1.587
   10    HE1  TYR   2           HE1      TYR   2   9.753  -2.582  -0.050
   11    HE2  TYR   2           HE2      TYR   2  11.031   1.409  -0.852
   12    HH   TYR   2           HH       TYR   2  11.974  -1.871  -0.184
   13    H    CYS   3           H        CYS   3   6.553   1.455   1.735
   14    HA   CYS   3           HA       CYS   3   6.712   4.334   1.209
   15    HB2  CYS   3           HB2      CYS   3   7.263   3.252   3.921
   16    HB3  CYS   3           HB3      CYS   3   6.377   4.697   3.443
   17    H    ALA   4           H        ALA   4   8.588   5.200   2.915
   18    HA   ALA   4           HA       ALA   4  11.037   4.269   1.660
   19    HB1  ALA   4           HB1      ALA   4  10.935   6.591   1.677
   20    HB2  ALA   4           HB2      ALA   4  10.317   6.650   3.328
   21    HB3  ALA   4           HB3      ALA   4  12.003   6.226   3.032
   22    H    THR   5           H        THR   5  11.995   2.556   2.544
   23    HA   THR   5           HA       THR   5  11.761   1.983   5.370
   24    HB   THR   5           HB       THR   5  13.392   0.067   4.682
   25    HG1  THR   5           HG1      THR   5  13.831  -0.075   2.614
   26   HG21  THR   5          HG21      THR   5  11.080  -0.681   3.239
   27   HG22  THR   5          HG22      THR   5  10.555   0.399   4.531
   28   HG23  THR   5          HG23      THR   5  11.481  -1.052   4.916
   29    H    LYS   6           H        LYS   6  13.903   1.159   6.429
   30    HA   LYS   6           HA       LYS   6  15.489   3.292   7.075
   31    HB2  LYS   6           HB2      LYS   6  15.446   1.159   8.314
   32    HB3  LYS   6           HB3      LYS   6  16.350   0.393   7.015
   33    HG2  LYS   6           HG2      LYS   6  17.797   2.687   7.806
   34    HG3  LYS   6           HG3      LYS   6  17.325   1.821   9.270
   35    HD2  LYS   6           HD2      LYS   6  18.265  -0.247   8.326
   36    HD3  LYS   6           HD3      LYS   6  18.768   0.649   6.891
   37    HE2  LYS   6           HE2      LYS   6  19.772   2.107   9.044
   38    HE3  LYS   6           HE3      LYS   6  20.052   0.420   9.470
   39    HZ1  LYS   6           HZ1      LYS   6  20.739   0.761   6.784
   40    HZ2  LYS   6           HZ2      LYS   6  21.758   0.397   8.084
   41    HZ3  LYS   6           HZ3      LYS   6  21.475   2.009   7.657
   42    H    GLY   7           H        GLY   7  17.193   4.340   6.222
   43    HA2  GLY   7           HA2      GLY   7  19.170   4.529   4.934
   44    HA3  GLY   7           HA3      GLY   7  18.689   3.100   4.031
   45    H    ILE   8           H        ILE   8  15.916   4.320   3.797
   46    HA   ILE   8           HA       ILE   8  16.458   5.736   1.329
   47    HB   ILE   8           HB       ILE   8  13.762   5.161   2.555
   48   HG12  ILE   8          HG12      ILE   8  15.085   3.083   2.300
   49   HG13  ILE   8          HG13      ILE   8  13.700   3.131   1.214
   50   HG21  ILE   8          HG21      ILE   8  13.677   6.808   0.806
   51   HG22  ILE   8          HG22      ILE   8  14.648   5.789  -0.255
   52   HG23  ILE   8          HG23      ILE   8  13.017   5.291   0.193
   53   HD11  ILE   8          HD11      ILE   8  16.041   2.344   0.371
   54   HD12  ILE   8          HD12      ILE   8  15.004   3.337  -0.654
   55   HD13  ILE   8          HD13      ILE   8  16.342   4.075   0.226
   56    H    LYS   9           H        LYS   9  16.293   7.869   0.997
   57    HA   LYS   9           HA       LYS   9  16.357   9.725   3.035
   58    HB2  LYS   9           HB2      LYS   9  15.341  10.180   0.223
   59    HB3  LYS   9           HB3      LYS   9  15.913  11.424   1.328
   60    HG2  LYS   9           HG2      LYS   9  17.767   9.197   0.719
   61    HG3  LYS   9           HG3      LYS   9  17.449  10.369  -0.562
   62    HD2  LYS   9           HD2      LYS   9  17.963  12.161   1.178
   63    HD3  LYS   9           HD3      LYS   9  18.612  10.852   2.169
   64    HE2  LYS   9           HE2      LYS   9  20.487  10.745   0.964
   65    HE3  LYS   9           HE3      LYS   9  19.601  10.766  -0.559
   66    HZ1  LYS   9           HZ1      LYS   9  20.080  12.898  -0.844
   67    HZ2  LYS   9           HZ2      LYS   9  21.140  12.790   0.469
   68    HZ3  LYS   9           HZ3      LYS   9  19.549  13.313   0.708
   69    H    CYS  10           H        CYS  10  14.884  10.994   4.091
   70    HA   CYS  10           HA       CYS  10  12.042  10.377   3.611
   71    HB2  CYS  10           HB2      CYS  10  11.610  10.289   5.894
   72    HB3  CYS  10           HB3      CYS  10  13.193   9.526   5.787
   73    H    ASN  11           H        ASN  11  14.091  12.642   2.915
   74    HA   ASN  11           HA       ASN  11  13.222  15.003   4.154
   75    HB2  ASN  11           HB2      ASN  11  14.473  16.148   2.553
   76    HB3  ASN  11           HB3      ASN  11  15.260  14.573   2.596
   77   HD21  ASN  11          HD21      ASN  11  14.591  13.010   0.953
   78   HD22  ASN  11          HD22      ASN  11  14.160  13.594  -0.615
   79    H    ASP  12           H        ASP  12  11.929  13.166   1.473
   80    HA   ASP  12           HA       ASP  12   9.691  15.077   1.316
   81    HB2  ASP  12           HB2      ASP  12  11.310  14.878  -0.714
   82    HB3  ASP  12           HB3      ASP  12  10.485  13.349  -1.008
   83    H    ILE  13           H        ILE  13  10.545  11.714   0.479
   84    HA   ILE  13           HA       ILE  13   7.836  10.819   0.708
   85    HB   ILE  13           HB       ILE  13   9.499   9.736  -0.788
   86   HG12  ILE  13          HG12      ILE  13   8.825   7.411  -0.261
   87   HG13  ILE  13          HG13      ILE  13   8.265   7.947   1.319
   88   HG21  ILE  13          HG21      ILE  13  11.190   8.278   0.086
   89   HG22  ILE  13          HG22      ILE  13  11.393   9.869   0.818
   90   HG23  ILE  13          HG23      ILE  13  10.646   8.564   1.739
   91   HD11  ILE  13          HD11      ILE  13   7.074   9.533  -0.756
   92   HD12  ILE  13          HD12      ILE  13   6.803   7.815  -1.047
   93   HD13  ILE  13          HD13      ILE  13   6.307   8.539   0.483
   94    H    HIS  14           H        HIS  14   6.900   9.560   2.305
   95    HA   HIS  14           HA       HIS  14   8.144   9.809   4.938
   96    HB2  HIS  14           HB2      HIS  14   5.338   9.322   3.988
   97    HB3  HIS  14           HB3      HIS  14   5.793   8.941   5.646
   98    HD1  HIS  14           HD1      HIS  14   3.908  11.344   4.347
   99    HD2  HIS  14           HD2      HIS  14   7.576  11.629   6.276
  100    HE1  HIS  14           HE1      HIS  14   4.028  13.700   5.217
  101    H    CYS  15           H        CYS  15   8.189   8.025   6.416
  102    HA   CYS  15           HA       CYS  15   8.786   5.515   5.065
  103    HB2  CYS  15           HB2      CYS  15   9.064   5.882   8.021
  104    HB3  CYS  15           HB3      CYS  15  10.062   4.945   6.912
  105    H    CYS  16           H        CYS  16   7.962   3.483   5.824
  106    HA   CYS  16           HA       CYS  16   5.166   3.474   6.188
  107    HB2  CYS  16           HB2      CYS  16   7.318   1.439   6.071
  108    HB3  CYS  16           HB3      CYS  16   5.833   0.954   6.883
  109    H    SER  17           H        SER  17   3.931   2.673   7.966
  110    HA   SER  17           HA       SER  17   4.449   3.845  10.405
  111    HB2  SER  17           HB2      SER  17   2.791   1.364   9.886
  112    HB3  SER  17           HB3      SER  17   2.694   2.375  11.327
  113    HG   SER  17           HG       SER  17   1.450   3.677  10.263
  114    H    GLY  18           H        GLY  18   6.111   3.515  11.723
  115    HA2  GLY  18           HA2      GLY  18   6.806   1.768  13.434
  116    HA3  GLY  18           HA3      GLY  18   7.129   0.761  12.030
  117    H    LEU  19           H        LEU  19   8.030   3.363  10.653
  118    HA   LEU  19           HA       LEU  19  10.747   3.331  11.786
  119    HB2  LEU  19           HB2      LEU  19   9.788   3.877   8.983
  120    HB3  LEU  19           HB3      LEU  19  11.451   4.111   9.518
  121    HG   LEU  19           HG       LEU  19  10.022   1.457   9.577
  122   HD11  LEU  19          HD11      LEU  19  10.234   2.272   7.278
  123   HD12  LEU  19          HD12      LEU  19  11.287   0.891   7.582
  124   HD13  LEU  19          HD13      LEU  19  11.962   2.520   7.528
  125   HD21  LEU  19          HD21      LEU  19  12.980   1.940   9.618
  126   HD22  LEU  19          HD22      LEU  19  12.078   0.509  10.119
  127   HD23  LEU  19          HD23      LEU  19  12.030   1.972  11.104
  128    H    LYS  20           H        LYS  20  11.938   5.300  11.852
  129    HA   LYS  20           HA       LYS  20  10.208   7.657  12.139
  130    HB2  LYS  20           HB2      LYS  20  12.767   6.797  13.431
  131    HB3  LYS  20           HB3      LYS  20  12.382   8.511  13.345
  132    HG2  LYS  20           HG2      LYS  20  10.549   8.304  14.740
  133    HG3  LYS  20           HG3      LYS  20  10.383   6.574  14.431
  134    HD2  LYS  20           HD2      LYS  20  11.465   6.249  16.355
  135    HD3  LYS  20           HD3      LYS  20  12.916   6.822  15.530
  136    HE2  LYS  20           HE2      LYS  20  10.969   8.682  16.871
  137    HE3  LYS  20           HE3      LYS  20  12.327   7.952  17.727
  138    HZ1  LYS  20           HZ1      LYS  20  13.356   9.814  17.034
  139    HZ2  LYS  20           HZ2      LYS  20  12.314  10.057  15.724
  140    HZ3  LYS  20           HZ3      LYS  20  13.575   8.935  15.605
  141    H    CYS  21           H        CYS  21  10.791   9.648  11.245
  142    HA   CYS  21           HA       CYS  21  12.508   9.430   8.891
  143    HB2  CYS  21           HB2      CYS  21  10.359  10.328   8.393
  144    HB3  CYS  21           HB3      CYS  21  10.438  11.450   9.747
  145    H    ASP  22           H        ASP  22  14.573   9.606   9.699
  146    HA   ASP  22           HA       ASP  22  15.439  11.417  11.648
  147    HB2  ASP  22           HB2      ASP  22  16.628   9.365  10.468
  148    HB3  ASP  22           HB3      ASP  22  17.286  10.632   9.436
  149    H    SER  23           H        SER  23  14.919  13.524  11.445
  150    HA   SER  23           HA       SER  23  14.993  14.918   8.950
  151    HB2  SER  23           HB2      SER  23  13.568  15.413  11.078
  152    HB3  SER  23           HB3      SER  23  14.992  16.304  11.615
  153    HG   SER  23           HG       SER  23  13.622  16.724   9.163
  154    H    LYS  24           H        LYS  24  17.356  14.029  11.183
  155    HA   LYS  24           HA       LYS  24  19.111  16.283  10.700
  156    HB2  LYS  24           HB2      LYS  24  19.424  15.476  12.848
  157    HB3  LYS  24           HB3      LYS  24  19.242  13.797  12.357
  158    HG2  LYS  24           HG2      LYS  24  21.436  13.809  11.354
  159    HG3  LYS  24           HG3      LYS  24  21.618  15.529  11.706
  160    HD2  LYS  24           HD2      LYS  24  21.442  15.018  14.118
  161    HD3  LYS  24           HD3      LYS  24  21.357  13.299  13.724
  162    HE2  LYS  24           HE2      LYS  24  23.566  13.352  12.779
  163    HE3  LYS  24           HE3      LYS  24  23.646  15.104  12.955
  164    HZ1  LYS  24           HZ1      LYS  24  24.864  13.881  14.696
  165    HZ2  LYS  24           HZ2      LYS  24  23.406  13.206  15.225
  166    HZ3  LYS  24           HZ3      LYS  24  23.649  14.877  15.323
  167    H    ARG  25           H        ARG  25  18.921  12.860   9.811
  168    HA   ARG  25           HA       ARG  25  21.172  13.230   7.968
  169    HB2  ARG  25           HB2      ARG  25  19.789  10.654   8.731
  170    HB3  ARG  25           HB3      ARG  25  21.308  10.824   7.861
  171    HG2  ARG  25           HG2      ARG  25  22.204  11.971   9.936
  172    HG3  ARG  25           HG3      ARG  25  20.750  11.395  10.753
  173    HD2  ARG  25           HD2      ARG  25  22.031   9.285   9.244
  174    HD3  ARG  25           HD3      ARG  25  23.139  10.011  10.408
  175    HE   ARG  25           HE       ARG  25  20.553   9.356  11.492
  176   HH11  ARG  25          HH11      ARG  25  23.770   8.205  10.821
  177   HH12  ARG  25          HH12      ARG  25  23.721   6.969  12.034
  178   HH21  ARG  25          HH21      ARG  25  20.477   7.732  13.092
  179   HH22  ARG  25          HH22      ARG  25  21.848   6.700  13.324
  180    H    LYS  26           H        LYS  26  17.962  13.637   7.887
  181    HA   LYS  26           HA       LYS  26  16.338  13.604   6.288
  182    HB2  LYS  26           HB2      LYS  26  18.729  13.695   4.439
  183    HB3  LYS  26           HB3      LYS  26  17.078  14.117   4.004
  184    HG2  LYS  26           HG2      LYS  26  17.122  15.973   5.576
  185    HG3  LYS  26           HG3      LYS  26  18.764  15.539   6.055
  186    HD2  LYS  26           HD2      LYS  26  19.226  15.755   3.476
  187    HD3  LYS  26           HD3      LYS  26  17.781  16.768   3.522
  188    HE2  LYS  26           HE2      LYS  26  19.039  18.459   4.220
  189    HE3  LYS  26           HE3      LYS  26  19.377  17.559   5.698
  190    HZ1  LYS  26           HZ1      LYS  26  21.315  16.627   4.723
  191    HZ2  LYS  26           HZ2      LYS  26  21.379  18.295   4.450
  192    HZ3  LYS  26           HZ3      LYS  26  20.939  17.249   3.195
  193    H    VAL  27           H        VAL  27  16.895  11.087   7.264
  194    HA   VAL  27           HA       VAL  27  16.107   9.452   4.995
  195    HB   VAL  27           HB       VAL  27  17.733   7.643   5.656
  196   HG11  VAL  27          HG11      VAL  27  19.623   8.648   4.417
  197   HG12  VAL  27          HG12      VAL  27  18.065   8.917   3.633
  198   HG13  VAL  27          HG13      VAL  27  18.833  10.220   4.541
  199   HG21  VAL  27          HG21      VAL  27  18.236   9.103   7.839
  200   HG22  VAL  27          HG22      VAL  27  19.401   7.966   7.161
  201   HG23  VAL  27          HG23      VAL  27  19.539   9.687   6.803
  202    H    CYS  28           H        CYS  28  15.415   7.251   5.703
  203    HA   CYS  28           HA       CYS  28  13.869   7.487   8.142
  204    HB2  CYS  28           HB2      CYS  28  13.967   5.310   6.043
  205    HB3  CYS  28           HB3      CYS  28  12.850   5.344   7.403
  206    H    VAL  29           H        VAL  29  14.074   6.247   9.962
  207    HA   VAL  29           HA       VAL  29  16.240   4.268  10.049
  208    HB   VAL  29           HB       VAL  29  16.856   5.165  12.336
  209   HG11  VAL  29          HG11      VAL  29  17.913   5.660   9.926
  210   HG12  VAL  29          HG12      VAL  29  17.513   7.310  10.411
  211   HG13  VAL  29          HG13      VAL  29  18.572   6.324  11.421
  212   HG21  VAL  29          HG21      VAL  29  15.366   7.592  11.341
  213   HG22  VAL  29          HG22      VAL  29  14.859   6.549  12.670
  214   HG23  VAL  29          HG23      VAL  29  16.339   7.498  12.809
  215    H    LYS  30           H        LYS  30  16.187   3.106  12.256
  216    HA   LYS  30           HA       LYS  30  13.626   1.916  12.537
  217    HB2  LYS  30           HB2      LYS  30  15.990   0.923  12.978
  218    HB3  LYS  30           HB3      LYS  30  15.808   1.628  14.578
  219    HG2  LYS  30           HG2      LYS  30  13.952   0.266  15.080
  220    HG3  LYS  30           HG3      LYS  30  13.767  -0.229  13.396
  221    HD2  LYS  30           HD2      LYS  30  16.343  -0.818  14.764
  222    HD3  LYS  30           HD3      LYS  30  14.932  -1.793  15.183
  223    HE2  LYS  30           HE2      LYS  30  14.841  -1.701  12.432
  224    HE3  LYS  30           HE3      LYS  30  16.568  -1.798  12.770
  225    HZ1  LYS  30           HZ1      LYS  30  15.207  -3.957  12.546
  226    HZ2  LYS  30           HZ2      LYS  30  14.695  -3.624  14.124
  227    HZ3  LYS  30           HZ3      LYS  30  16.341  -3.835  13.796
  228    H    GLY  31           H        GLY  31  12.191   1.952  14.293
  229    HA2  GLY  31           HA2      GLY  31  12.592   4.149  16.220
  230    HA3  GLY  31           HA3      GLY  31  11.078   3.996  15.341