*HEADER    TOXIN                                   25-JUN-02   1M2S              
*TITLE     SOLUTION STRUCTURE OF A NEW POTASSIUM CHANNELS BLOCKER FROM           
*TITLE    2 THE VENOM OF CHINESE SCORPION BUTHUS MARTENSI KARSCH                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TOXIN BMTX3;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NEUROTOXIN TX3                                              
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUTHUS MARTENSII KARSCH;                        
*SOURCE   3 ORGANISM_COMMON: CHINESE SCORPION;                                   
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    ALPHA/BETA SCAFFOLD                                                   
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    Y.WANG, M.LI, Z.ZHANG, G.WU, G.HU, H.WU                               
*REVDAT   1   06-APR-04 1M2S    0                                                


  1 PHE  
         HA      1 PHE  HB2     3.90  #     2   667000.0  e   8        152
         HA      1 PHE  HB3     4.50  #     2   279100.0  e   8        153
         HA      2 GLY  HN      3.40  #     2  1474000.0  e   8        149
         HB2     1 PHE  QD      5.40  # r   1   381500.0*2e   8        454
         HB2     2 GLY  HN      4.30  #     2   360400.0  e   8        150
         HB2    37 TYR  HA      4.60  #     5   279100.0  e   8        506
         HB3     1 PHE  QD      5.20  # r   1   548500.0*2e   8        455
         HB3     2 GLY  HN      4.20  #     2   459900.0  e   8        151
         HB3    37 TYR  HN      4.50  #     5   308800.0  e   8        538
         HB3    37 TYR  QD      6.70  # r   5   244750.0*2e   8        507
         QD      1 PHE  QE      7.10  # rr  1   612250.0*4e   8        475
         QD      2 GLY  HA1     6.70  # r   5   226250.0*2e   8        456
  2 GLY  
         HN      2 GLY  HA1     4.20  #     2   435700.0  e   8        132
         HN      2 GLY  HA2     4.10  #     2   547000.0  e   8        148
         HN      3 LEU  HN      5.70  #     2    69280.0  e   8        508
         HA1     3 LEU  HN      3.50  #     2  1447000.0  e   8        156
         HA1    36 CYSS HN      3.60  #     4   419500.0  e   8        503
         HA2     3 LEU  HN      3.50  #     2  1244000.0  e   8        157
  3 LEU  
         HN      3 LEU  QB      4.10  # i   2  1306500.0*2e   8         44
         HN      3 LEU  HG      3.20  #     1   521600.0  e   8         46
         HN      3 LEU  QQD     8.40  # q   1M   74800.0*2e   8        158
         QB      3 LEU  QQD     6.80  # m   1M  522250.0*4e   8        159
         QB      4 ILE  HN      6.30  # m   2   106650.0*2e   8        172
         HG      3 LEU  QQD     5.90  #     1M  432600.0*2e   8        160
         HG      4 ILE  HN      4.30  #     5   382800.0  e ! 8        173
         QQD    35 ARG  HB3     7.90  #     5M  264400.0*2e   8        504
         QQD    35 ARG  HG2     6.80  #     5M  861500.0*2e   8        489
  4 ILE  
         HN      4 ILE  HA      5.40  #     2    91980.0  e   8         52
         HN      4 ILE  HB      4.40  #     2   330400.0  e   8         53
         HN      4 ILE  QG2     5.10  #     1M  196800.0  e   8         57
         HN      4 ILE  HG12    2.90  #     1  1001000.0  e   8         54
         HN      4 ILE  HG13    2.70  #     1  1553000.0  e   8         55
         HN      4 ILE  QD1     4.70  #     1M  401100.0  e   8         56
         HN      5 ASP  HN      5.10  #     2   128900.0  e   8        314
         HN     34 CYSS HB3     4.80  #     5   217400.0  e   8        498
         HA      4 ILE  HB      4.00  #     2   576500.0  e   8        171
         HA      5 ASP  HN      4.70  #     2   235600.0  e   8        174
         HB      4 ILE  QG2     3.90  #     1M 1071000.0  e   8        161
         HB      4 ILE  HG12    2.70  #     1  1459000.0  e   8        164
         HB      4 ILE  HG13    2.90  #     1   855400.0  e   8        163
         HB      4 ILE  QD1     3.60  #     1M 1758000.0  e   8        162
         HB      5 ASP  HN      3.30  #     2  1761000.0  e   8        175
         QG2     4 ILE  HG12    3.80  #     1M 1309000.0  e   8        165
         QG2     4 ILE  HG13    3.90  #     1M 1123000.0  e   8        168
         QG2     4 ILE  QD1     5.00  # m   1M  852500.0  e   8        170
         QG2     5 ASP  HN      6.50  #     5M  257900.0  e   8        178
         QG2     6 VAL  HN      6.80  #     5M  207500.0  e   8        184
         QG2    18 CYSS HN      7.00  #     5M  173900.0  e   8        260
         QG2    18 CYSS HA      6.00  #     5M  436700.0  e   8        261
         QG2    34 CYSS HB2     5.40  #     5M  790400.0  e   8        481
         QG2    34 CYSS HB3     5.20  #     5M 1030000.0  e   8        480
         QG2    35 ARG  HG2     4.70  #     5M 1894000.0  e   8        188
         HG12    4 ILE  QD1     4.20  #     1M  643900.0  e   8        166
         HG12    5 ASP  HN      4.70  #     5   237800.0  e   8        176
         HG12    6 VAL  HN      4.00 <#     5   613500.0  e   8        182
         HG12   34 CYSS HN      5.00  #     5   172500.0  e   8        395
         HG12   34 CYSS HB2     4.00  #     5   668200.0  e   8        477
         HG12   34 CYSS HB3     3.60  #     5  1110000.0  e   8        476
         HG13    4 ILE  QD1     3.80  #     1M 1146000.0  e   8        169
         HG13    6 VAL  HN      5.30 >#     5   121000.0  e   8        183
         HG13   34 CYSS HB2     4.10  #     5   512900.0  e   8        478
         HG13   34 CYSS HB3     3.50  #     5  1322000.0  e   8        479
         QD1     5 ASP  HN      6.30  #     5M  331200.0  e   8        177
  5 ASP  
         HN      5 ASP  HB2     3.90  #     2   720500.0  e   8        134
         HN      5 ASP  HB3     3.60  #     2  1157000.0  e   8        133
         HN      6 VAL  HN      5.00  #     2   162200.0  e   8        313
         HB2     6 VAL  HN      4.30  #     2   381400.0  e   8        181
         HB3     6 VAL  HN      4.80  #     2   195900.0  e   8        180
  6 VAL  
         HN      6 VAL  HA      3.70  #     2   893200.0  e   8         78
         HN      6 VAL  QQG     5.90  # s   1M  680000.0*2e   8         77
         HN      7 LYS  HN      5.00  #     2   160800.0  e   8        513
         HN     33 GLN  QG      5.40  # m   5   346350.0*2e   8        550
         HA      6 VAL  QQG     4.30  # i   1M 1393000.0*2e   8        187
         HA      7 LYS  HN      2.80  #     2  4875000.0  e   8        185
         QQG     7 LYS  HN      7.10  #     5M  619000.0*2e   8        186
         QQG     7 LYS  QD      7.40  # m   5M 1291000.0*4e   8        189
         QQG    34 CYSS HB2     7.80  #     5M  298950.0*2e   8        483
         QQG    34 CYSS HB3     7.80  #     5M  282500.0*2e   8        482
  7 LYS  
         HN      7 LYS  QB      4.10  # i   2  1276500.0*2e   8         48
         HN      7 LYS  QG      5.40  # m   1    70850.0*2e   8         50
         HN      7 LYS  QD      4.60  # m   1   250150.0*2e   8         49
         HN     33 GLN  HA      4.90  #     4    77090.0  e   8        190
         QB      8 CYSS HN      6.00  # m   2   149150.0*2e   8        195
         QG      8 CYSS HN      6.10  # m   5   139600.0*2e   8        197
         QD      8 CYSS HN      6.40  # m   5   107300.0*2e   8        196
  8 CYSS 
         HN      8 CYSS HB2     5.10  #     2   141500.0  e   8        146
         HN      8 CYSS HB3     4.40  #     2   319100.0  e   8        145
         HN     32 ASN  HN      5.40  #     4    34240.0  e   8        516
         HN     32 ASN  HA      4.00  #     4   216600.0  e   8        192
         HN     32 ASN  HB2     4.20  #     5   459800.0  e   8        193
         HN     32 ASN  HB3     4.60  #     5   289700.0  e   8        194
         HN     33 GLN  HA      3.60  #     4   361800.0  e   8        191
         HA      8 CYSS HB3     4.00  #     2   599040.0  e   622-D2O   17
         HA     13 GLU  HB3     3.50  #     5  1320000.0  e   622-D2O   18
         HA     29 CYSS HB3     3.80  #     5  1110600.0  e   622-D2O   19
         HB2     9 PHE  HN      4.10  #     2   513900.0  e   8        202
         HB2    10 ALA  HN      3.30 <#     3   803800.0  e   8        210
         HB3     9 PHE  HN      4.40  #     2   325400.0  e   8        203
         HB3    10 ALA  HN      4.10 >#     3   249600.0  e   8        212
  9 PHE  
         HN      9 PHE  HA      5.10  #     2   137400.0  e   8         19
         HN      9 PHE  HB2     4.60 >#     2   261500.0  e   8         20
         HN      9 PHE  HB3     3.80 <#     2   845000.0  e   8         21
         HN      9 PHE  QD      5.70  # r   1   198350.0*2e   8        566
         HN     10 ALA  HN      3.70  #     2   965700.0  e   8        301
         HN     13 GLU  HB3     5.00  #     3    64520.0  e   8        204
         HA      9 PHE  HB2     3.90  #     2   694200.0  e   8        205
         HA      9 PHE  HB3     3.90  #     2   720900.0  e   8        206
         HA      9 PHE  QD      5.50  # m   1    66900.0*2e   8        451
         HA     10 ALA  HN      5.70  #     2    69410.0  e   8        208
         HA     32 ASN  HD21    5.00  #     5   164400.0  e   8        443
         HA     32 ASN  HD22    5.30  #     5   118900.0  e   8        444
         HB2     9 PHE  QD      5.10  # r   1   618500.0*2e   8        450
         HB2    10 ALA  HN      5.40  #     2    93280.0  e   8        211
         HB3     9 PHE  QD      5.10  # r   1   671500.0*2e   8        449
         HB3    10 ALA  HN      5.80  #     2    64170.0  e   8        209
         QD     10 ALA  QB      8.80  # r   5M  211950.0*2e   8        448
 10 ALA  
         HN     10 ALA  QB      3.60  #   s 2M  701300.0  e   8         76
         HN     13 GLU  HB3     4.50  #     3   119300.0  e   8        213
         HN     29 CYSS HB3     5.00  #     5   156800.0  e   8        549
         HA     10 ALA  QB      4.70  #     2M  133080.0  e   622-D2O   23
         QB     11 SER  HN      3.70  #     2M  559200.0  e   8        539
         QB     11 SER  QB      7.30  # m   5M  310450.0*2e   8        217
         QB     12 SER  HN      3.50  #   s 3M  947800.0  e   8        220
         QB     13 GLU  HN      3.90  #     3M  546300.0  e   8        230
         QB     13 GLU  HB2     6.30  #     5M  328500.0  e   8        238
         QB     13 GLU  HB3     6.00  #     5M  423100.0  e   8        239
 11 SER  
         HN     11 SER  HA      4.00  #     2   586000.0  e   8          6
         HN     11 SER  QB      4.70  # i   2   522500.0*2e   8          5
         HN     12 SER  HN      4.10  #     2   516400.0  e   8        299
         HN     29 CYSS HB2     5.30  #     5   117200.0  e   8        125
         HN     29 CYSS HB3     5.20  #     5   132300.0  e   8        124
         HA     11 SER  QB      4.40  # m   2  1727000.0*2e   8        216
         HA     12 SER  HN      4.80  #     2   206900.0  e   8        219
         HA     12 SER  HA      4.70  #     2   370500.0  e ! 8        226
         HA     14 CYSS HN      4.00  #     3   237700.0  e   8        240
         HA     14 CYSS HB2     3.50  #     3   526800.0  e   8        245
         HA     15 TRP  HN      5.00  #     3    59750.0  e   8        518
         HA     15 TRP  HD1     5.20  #     5   128500.0  e   8        438
         HA     28 LYS  HA      2.80  #     4  2344800.0  e ! 622-D2O   14
         HA     29 CYSS HN      3.00  #     4  1098000.0  e   8        370
         HA     29 CYSS HA      4.80  #     4    65916.0  e   622-D2O    9
         HA     29 CYSS HB2     3.50  #     5  1438000.0  e   8        215
         HA     29 CYSS HB3     3.20  #     5  2531000.0  e   8        214
         QB     12 SER  HN      5.60  # m   2   247600.0*2e   8        218
         QB     15 TRP  HN      5.90  # m   3    73000.0*2e   8        519
         QB     28 LYS  HA      4.40  # m   5  1802400.1*2e   622-D2O   15
         QB     29 CYSS HN      6.30  # m   5   111300.0*2e   8        371
 12 SER  
         HN     12 SER  HA      3.70  #     2   998400.0  e   8         58
         HN     12 SER  HB2     4.00 >#     2   558800.0  e   8         60
         HN     12 SER  HB3     3.50 <#     2  1400000.0  e   8         59
         HN     13 GLU  HN      4.00  #     2   591000.0  e   8        310
         HN     14 CYSS HN      4.80  #     3    75060.0  e   8        514
         HA     12 SER  HB2     3.60  #     2  1138000.0  e   8        224
         HA     12 SER  HB3     3.20  #     2  2126000.0  e   8        221
         HA     13 GLU  HN      4.40  #     2   330500.0  e   8        227
         HA     15 TRP  HN      3.90  #     3   269900.0  e   8        521
         HA     15 TRP  HE3     4.40  #     5   340000.0  e   8        426
         HA     15 TRP  HZ3     5.30  #     5   115100.0  e   8        433
         HA     16 THR  HN      5.70  #     3    27340.0  e   8        499
         HB2    13 GLU  HN      5.30  #     2   107700.0  e   8        228
         HB2    15 TRP  HE3     4.70  #     5   254900.0  e   8        429
         HB2    15 TRP  HZ3     5.20  #     5   128400.0  e   8        431
         HB3    13 GLU  HN      4.80  #     2   197400.0  e   8        229
         HB3    15 TRP  HZ3     4.60  #     5   269100.0  e   8        432
 13 GLU  
         HN     13 GLU  HA      3.60  #     2  1197000.0  e   8        112
         HN     13 GLU  HB2     3.40  #     2  1473000.0  e   8        110
         HN     13 GLU  HB3     3.10  #     2  2777000.0  e   8        111
         HN     13 GLU  QG      4.50  # m   1   296850.0*2e   8        109
         HN     14 CYSS HN      3.60  #     2  1080000.0  e   8        312
         HA     13 GLU  HB2     4.00 >#     2   568900.0  e   8        232
         HA     13 GLU  HB3     3.20 <#     2  2314000.0  e   8        233
         HA     13 GLU  QG      3.80  # i   1   481050.0*2e   8        231
         HA     14 CYSS HN      4.50  #     2   307600.0  e   8        241
         HA     15 TRP  HN      4.20  #     3   180600.0  e   8        522
         HB2    13 GLU  QG      3.70  # m   1  1580000.0*2e   8        234
         HB2    14 CYSS HN      5.50 >#     2    90210.0  e   8        243
         HB3    13 GLU  QG      3.60  # m   1  1678000.0*2e   8        235
         HB3    14 CYSS HN      3.90 <#     2   675900.0  e   8        242
         HB3    15 TRP  HN      3.90  #     3   314000.0  e   8        248
 14 CYSS 
         HN     14 CYSS HB2     3.90 >#     2   661000.0  e   8        144
         HN     14 CYSS HB3     3.30 <#     2  1900000.0  e   8        143
         HN     15 TRP  HN      3.40  #     2  1648000.0  e   8        309
         HN     17 ALA  HN      4.30  #     3   185200.0  e ! 8        419
         HA     14 CYSS HB2     5.50 >#     2    86976.0  e   622-D2O   21
         HA     14 CYSS HB3     4.30 <#     2   401160.0  e   622-D2O   22
         HB2    15 TRP  HN      5.00 >#     2   152700.0  e   8        247
         HB2    34 CYSS HA      5.30 >#     5   117336.0  e   622-D2O   26
         HB3    15 TRP  HN      3.90 <#     2   732300.0  e   8        246
         HB3    15 TRP  HD1     4.70  #     5   250000.0  e   8        552
         HB3    15 TRP  HE1     5.70  #     5    74120.0  e   8        497
         HB3    28 LYS  HN      4.90  #     5   178900.0  e   8        369
         HB3    34 CYSS HA      4.10 <#     5   550900.0  e   8        558
 15 TRP  
         HN     15 TRP  HB2     3.50  #     2  1427000.0  e   8        416
         HN     15 TRP  HB3     3.60  #     2  1061000.0  e   8        415
         HN     16 THR  HN      3.80  #     2   752800.0  e   8        308
         HA     15 TRP  HB3     4.50  #     2   288200.0  e   8        491
         HA     15 TRP  HD1     4.20  #     1   106000.0  e   8        551
         HB2    15 TRP  HD1     3.50 <#     1   318200.0  e   8        434
         HB2    15 TRP  HE3     2.90  #     1   959000.0  e   8        424
         HB2    16 THR  HN      3.60  #     2  1059000.0  e   8        417
         HB3    15 TRP  HD1     4.10 >#     1   112800.0  e   8        435
         HB3    15 TRP  HE3     3.20  #     1   494100.0  e   8        425
         HB3    16 THR  HN      3.70  #     2   894800.0  e   8        418
         HD1    15 TRP  HE1     2.70  #     1  1606000.0  e   8        420
         HD1    26 GLN  HA      4.40  #     5   351800.0  e   8        437
         HD1    27 GLY  HN      4.10  #     5   540800.0  e   8        529
         HD1    27 GLY  HA2     5.50  #     5    89560.0  e   8        553
         HE3    15 TRP  HZ3     2.60  #     1  1673000.0  e   8        471
         HE3    16 THR  QG2     5.90  #     5M  491100.0  e   8        430
         HE3    26 GLN  HA      5.80  #     5    69560.0  e   8        428
         HE1    15 TRP  HZ2     3.00  #     1   721600.0  e   8        421
         HE1    27 GLY  HN      5.30  #     5   121800.0  e   8        422
         HZ3    15 TRP  HH2     2.50  #   s 1  2451000.0  e   8        532
         HZ2    15 TRP  HH2     2.60  #     1  1985000.0  e   8        472
 16 THR  
         HN     16 THR  HA      3.60  #     2  1077000.0  e   8         65
         HN     16 THR  HB      3.40  #     2  1541000.0  e ! 8         64
         HN     16 THR  QG2     4.70  #     1M  337600.0  e   8         66
         HN     17 ALA  HN      3.60  #     2  1158000.0  e   8        318
         HN     18 CYSS HN      5.30  #     3    44680.0  e   8        512
         HA     16 THR  HB      3.30  #     2  2067000.0  e   8        250
         HA     16 THR  QG2     3.60  #     1M 1699000.0  e   8        251
         HA     17 ALA  HN      4.40  #     2   323900.0  e   8        254
         HA     19 LYS  HN      3.80  #     3   314300.0  e   8        271
         HA     19 LYS  HB2     3.10  #     3  1051000.0  e   8        278
         HA     19 LYS  HB3     3.40  #     3   620700.0  e   8        279
         HA     19 LYS  QD      5.90  # m   5   194950.0*2e   8        257
         HA     20 LYS  HN      4.80  #     3    79390.0  e   8        293
         HB     16 THR  QG2     3.70  #     1M 1545000.0  e   8        252
         HB     17 ALA  HN      3.70  #     2   990600.0  e   8        255
         QG2    17 ALA  HN      6.20  #     5M  355700.0  e   8        253
 17 ALA  
         HN     17 ALA  HA      3.50  #     2  1313000.0  e   8         80
         HN     17 ALA  QB      3.50  #   s 2M 1794000.0  e   8         79
         HN     18 CYSS HN      3.60  #     2  1042000.0  e   8        316
         HA     17 ALA  QB      3.50  #   s 2M 3390000.0  e   8        256
         HA     18 CYSS HN      4.50  #     2   271400.0  e   8        258
         HA     19 LYS  HN      4.20  #     3   177500.0  e   8        269
         QB     18 CYSS HN      3.50  #   s 2M  695900.0  e   8        259
         QB     34 CYSS HB2     5.30  #     5M  910000.0  e   8        485
         QB     34 CYSS HB3     4.90  #     5M 1536000.0  e   8        484
 18 CYSS 
         HN     18 CYSS HA      4.70  #     2   211900.0  e   8         26
         HN     18 CYSS HB2     3.90  #     2   732200.0  e   8         27
         HN     18 CYSS HB3     3.40  #     2  1611000.0  e   8         28
         HN     19 LYS  HN      3.60  #     2  1075000.0  e   8        315
         HN     20 LYS  HN      4.70  #     3    84750.0  e   8        517
         HA     18 CYSS HB2     3.70  #     2   937300.0  e   8        263
         HA     18 CYSS HB3     4.20  #     2   414700.0  e   8        262
         HA     19 LYS  HN      4.90  #     2   163800.0  e   8        267
         HA     21 VAL  HN      5.00  #     3    62690.0  e   8        501
         HB2    19 LYS  HN      4.50  #     2   302500.0  e   8        266
         HB2    19 LYS  HG3     4.90  #     5   194600.0  e   8        562
         HB2    25 GLY  HA1     3.90  #     5   798200.0  e   8        280
         HB2    26 GLN  HN      5.00  #     5   166900.0  e   8        355
         HB2    36 CYSS HA      4.40  #     5   365040.0  e   622-D2O    4
         HB2    36 CYSS HB2     4.20  #     5   463100.0  e   8        563
         HB2    36 CYSS HB3     4.10  #     5   560500.0  e   8        561
         HB3    19 LYS  HN      4.10  #     2   509000.0  e   8        265
         HB3    19 LYS  HG2     4.40  #     5   339700.0  e   8        283
         HB3    19 LYS  HG3     4.60  #     5   271100.0  e   8        284
         HB3    19 LYS  QD      6.10  # m   5   150100.0*2e   8        282
         HB3    25 GLY  HA1     4.40  #     5   376800.0  e   8        281
 19 LYS  
         HN     19 LYS  HA      3.30  #     2  1918000.0  e   8         69
         HN     19 LYS  HB2     3.30  #     2  1837000.0  e   8         70
         HN     19 LYS  HB3     3.40  #     2  1902000.0  e   8         71
         HN     19 LYS  HG2     3.80  #     1   175000.0  e   8         73
         HN     19 LYS  HG3     3.30  #     1   426400.0  e   8         74
         HN     19 LYS  QD      5.20  # m   1    98000.0*2e   8         72
         HN     20 LYS  HN      3.50  #     2  1389000.0  e   8        307
         HN     25 GLY  HA1     3.50 <#     4   496000.0  e   8        268
         HN     25 GLY  HA2     4.20 >#     4   152500.0  e   8        270
         HA     19 LYS  HB2     3.40  #     2  1466000.0  e   8        273
         HA     19 LYS  HB3     3.40  #     2  1541000.0  e   8        274
         HA     19 LYS  HG2     3.50  #     1   286900.0  e   8        276
         HA     19 LYS  HG3     3.00  #     1   699000.0  e   8        277
         HA     19 LYS  QD      4.80  # m   1   181150.0*2e   8        275
         HA     20 LYS  HN      4.10  #     2   513400.0  e   8        292
         HA     22 THR  HN      4.50  #     3   122100.0  e   8        328
         HA     23 GLY  HN      3.20  #     3   980100.0  e   8        557
         HA     24 SER  HN      3.20  #     4   734900.0  e   8        345
         HA     25 GLY  HN      4.00  #     4   216700.0  e   8        349
         HA     25 GLY  HA1     4.70  #     4    78790.0  e   8        556
         HB2    19 LYS  HG2     3.10  #     1   585300.0  e   8        287
         HB2    19 LYS  HG3     3.70  #     1   217500.0  e   8        288
         HB2    20 LYS  HN      3.30  #     2  1795000.0  e   8        289
         HB2    25 GLY  HA1     4.70  #     5   246300.0  e   8        554
         HB3    25 GLY  HA1     4.30  #     5   432400.0  e   8        559
         HB3    25 GLY  HA2     4.60  #     5   278600.0  e   8        560
         HG2    20 LYS  HN      4.50  #     5   326600.0  e   8        290
         HG3    20 LYS  HN      5.10  #     5   141600.0  e   8        291
         QD     25 GLY  HN      7.00  # m w 5    48845.0*2e   8        569
 20 LYS  
         HN     20 LYS  HA      3.40  #     2  1657000.0  e   8         98
         HN     20 LYS  HB2     3.20  #     2  2407000.0  e   8         94
         HN     20 LYS  QG      5.20  # m   1    97250.0*2e   8         97
         HN     20 LYS  QD      4.30  # m   1   399100.0*2e   8         96
         HA     20 LYS  HB2     3.00  #     2  3373000.0  e   8        294
         HA     20 LYS  QD      5.00  # m   1   139000.0*2e   8        295
 21 VAL  
         HN     21 VAL  HA      3.50  #     2  1289000.0  e   8         93
         HN     21 VAL  HB      3.30  #     2  2046000.0  e   8         90
         HN     21 VAL  QG1     3.70 <#     1M 1354000.0  e   8         91
         HN     21 VAL  QG2     4.50 >#     1M  440900.0  e   8         92
         HN     22 THR  HN      3.30  #     2  1853000.0  e   8        303
         HA     21 VAL  HB      3.40  #     2  1473000.0  e   8        319
         HA     21 VAL  QG1     3.60  #     1M 1580000.0  e   8        320
         HA     21 VAL  QG2     3.80  #     1M 1266000.0  e   8        321
         HA     22 THR  HN      4.10  #     2   483200.0  e   8        324
         HB     21 VAL  QG1     3.90  #     1M 1059000.0  e   8        322
         HB     21 VAL  QG2     3.60  #     1M 1657000.0  e   8        323
         HB     22 THR  HN      3.50  #     2  1248000.0  e   8        325
         HB     22 THR  HA      4.40  #     2   335200.0  e   8        334
         HB     22 THR  QG2     5.70  #     5M  581400.0  e   8        339
         HB     23 GLY  HN      4.60  #     3   108100.0  e   8        330
         QG1    22 THR  HN      6.70  #     5M  230800.0  e   8        326
         QG1    22 THR  HA      6.70  #     5M  232500.0  e   8        336
         QG2    22 THR  HN      6.70  #     5M  219500.0  e   8        327
         QG2    22 THR  HA      6.40  #     5M  283800.0  e   8        335
 22 THR  
         HN     22 THR  HA      4.40  #     2   319800.0  e   8         37
         HN     22 THR  HB      5.50  #     2    88270.0  e   8         38
         HN     22 THR  QG2     3.90  #     1M 1020000.0  e   8         39
         HN     23 GLY  HN      3.20  #     2  2328000.0  e   8        302
         HN     23 GLY  HA2     5.60  #     2    80100.0  e   8        329
         HN     24 SER  HN      4.50  #     3   117500.0  e   8        509
         HA     22 THR  HB      3.40  #     2  1521000.0  e   8        333
         HA     22 THR  QG2     4.20  #     1M  672400.0  e   8        338
         HA     23 GLY  HN      5.30  #     2   109500.0  e   8        340
         HB     22 THR  QG2     3.60  #     1M 1789000.0  e   8        337
         HB     23 GLY  HN      5.50  #     2    85350.0  e   8        331
         HB     24 SER  HN      4.70  #     3    90460.0  e   8        342
 23 GLY  
         HN     23 GLY  HA1     4.00 >#     2   573700.0  e   8         67
         HN     23 GLY  HA2     3.30 <#     2  2034000.0  e   8         68
         HN     24 SER  HN      3.60  #     2  1048000.0  e   8        305
         HA1    24 SER  HN      4.90  #     2   169800.0  e   8        343
         HA2    24 SER  HN      4.30  #     2   370600.0  e   8        344
 24 SER  
         HN     24 SER  QB      4.40  # i   2   843500.0*2e   8         51
         HN     25 GLY  HN      5.10  #     2   134300.0  e   8        510
         HA     24 SER  QB      6.40  # m   2    98000.0*2e   8        351
         HA     25 GLY  HN      4.80  #     2   193100.0  e   8        346
         QB     25 GLY  HN      6.10  # m   2   133100.0*2e   8        348
         QB     26 GLN  HN      5.70  # m   3    94150.0*2e   8        353
 25 GLY  
         HN     25 GLY  HA1     3.60  #     2  1063000.0  e   8         40
         HN     25 GLY  HA2     3.30  #     2  1966000.0  e   8         41
         HN     26 GLN  HN      4.20  #     2   444400.0  e   8        304
         HA1    26 GLN  HN      4.10  #     2   479400.0  e   8        354
         HA2    26 GLN  HN      4.20  #     2   452500.0  e   8        352
 26 GLN  
         HN     26 GLN  HA      3.70  #     2   963700.0  e   8        101
         HN     26 GLN  HB2     4.10  #     2   538600.0  e   8        105
         HN     26 GLN  HB3     3.60  #     2  1167000.0  e   8        106
         HN     26 GLN  HG2     3.40  #     1   329300.0  e   8        102
         HN     26 GLN  HG3     3.70  #     1   215500.0  e   8        103
         HA     26 GLN  HB2     3.50  #     2  1379000.0  e   8        358
         HA     26 GLN  HB3     3.60  #     2  1049000.0  e   8        359
         HA     26 GLN  HG2     3.40  #     1   360600.0  e   8        356
         HA     26 GLN  HG3     3.20  #     1   490600.0  e   8        357
         HA     27 GLY  HN      3.00  #     2  3408000.0  e   8        365
         HB2    26 GLN  HG2     3.40  #     1   345400.0  e   8        364
         HB2    27 GLY  HN      4.60 <#     2   262400.0  e   8        366
         HB2    37 TYR  HN      4.90  #     5   188400.0  e   8        500
         HB2    37 TYR  QD      6.90  # r   5   177200.0*2e   8        461
         HB2    37 TYR  QE      6.20 <# r   5   450150.0*2e   8        567
         HB3    26 GLN  HG2     4.20  #     1    99110.0  e   8        363
         HB3    27 GLY  HN      6.00 >#     2    49490.0  e   8        367
         HB3    37 TYR  HB3     4.00  #     5   655400.0  e   8        547
         HB3    37 TYR  QD      7.30  # r   5   109500.0*2e   8        462
         HB3    37 TYR  QE      7.10 ># r   5   154050.0*2e   8        568
 27 GLY  
         HN     27 GLY  HA2     4.30  #     2   400400.0  e   8         75
         HA1    36 CYSS HA      6.00  #   w 4        0.0  e   622-D2O   39
         HA2    28 LYS  HN      4.30  #     2   402600.0  e   8        130
         HA2    36 CYSS HA      3.80  #     4   294360.0  e   622-D2O    6
         HA2    37 TYR  HN      5.00  #     4    49880.0  e   8        495
 28 LYS  
         HN     28 LYS  QB      5.10  # i   2   299950.0*2e   8         15
         HN     28 LYS  QG      4.80  # m   1   187150.0*2e   8        374
         HN     35 ARG  HN      3.20  #     4   770200.0  e   8        298
         HN     35 ARG  HB2     4.40  #     5   344700.0  e   8        368
         HN     35 ARG  QD      7.00  # m w 5    44005.0*2e   8        502
         HN     36 CYSS HA      4.40  #     4   109300.0  e   8        377
         HA     28 LYS  QB      4.40  # m   2  1646400.1*2e   622-D2O   20
         QB     29 CYSS HN      5.50  # m   2   294050.0*2e   8        372
         QG     29 CYSS HN      5.80  # m   5   210350.0*2e   8        373
 29 CYSS 
         HN     29 CYSS HA      5.10  #     2   133800.0  e   8        120
         HN     29 CYSS HB2     3.60  #     2  1132000.0  e   8         25
         HN     29 CYSS HB3     3.60  #     2  1086000.0  e   8         24
         HA     29 CYSS HB2     4.30 >#     2   367800.0  e   622-D2O    7
         HA     29 CYSS HB3     3.40 <#     2  1609200.1  e   622-D2O    8
         HA     30 GLN  HN      4.20  #     2   447700.0  e   8        121
         HA     34 CYSS HA      4.10  #     4   176880.0  e   622-D2O   12
         HA     34 CYSS HB2     3.70  #     5  1083960.0  e   622-D2O   38
         HA     34 CYSS HB3     6.00  #   w 5        0.0  e   622-D2O   37
         HB2    30 GLN  HA      5.70  #     2    69984.0  e   622-D2O   27
         HB3    30 GLN  HN      5.50  #     2    87900.0  e   8        122
 30 GLN  
         HN     30 GLN  HB2     4.00  #     2   631600.0  e   8         13
         HN     30 GLN  HB3     3.90  #     2   655000.0  e   8         14
         HN     30 GLN  QG      6.60  # m   1    16885.0*2e   8         12
         HN     31 ASN  HN      4.80  #     2   199000.0  e   8        565
         HN     32 ASN  HN      5.00  #     3    62640.0  e   8        564
         HN     33 GLN  HN      3.20  #     3   951600.0  e   8        300
         HN     34 CYSS HA      4.30  #     3   156400.0  e   8        381
         HA     30 GLN  HB2     4.00  #     2   594240.0  e   622-D2O   29
         HA     30 GLN  HB3     3.90  #     2   647040.0  e   622-D2O   30
         HA     30 GLN  QG      4.60  # i   1   138600.0*2e   622-D2O   28
         HA     31 ASN  HN      5.40  #     2    96560.0  e   8        126
         HB2    30 GLN  QG      4.00  # m   1   794000.0*2e   8        117
         HB3    30 GLN  QG      4.00  # m   1   760000.0*2e   8        118
         HB3    31 ASN  HN      6.00  #   w 2    24180.0  e   8        494
         HB3    31 ASN  HB2     3.80  #     5   811200.0  e   8        486
         HB3    34 CYSS HA      4.20  #     3   207400.0  e   8        382
         QG     31 ASN  HN      6.40  # m   5    99150.0*2e   8        119
         QG     31 ASN  HB2     4.80  # m   5   900500.0*2e   8        115
         QG     31 ASN  HB3     5.20  # m   5   494950.0*2e   8        116
 31 ASN  
         HN     31 ASN  HA      3.10  #     2  2938000.0  e   8          2
         HN     31 ASN  HB2     5.10  #     2   129500.0  e   8          3
         HN     31 ASN  HB3     4.70  #     2   212800.0  e   8          4
         HN     32 ASN  HN      4.00  #     2   871400.0  e   8        297
         HA     31 ASN  HB2     3.20  #     2  2211000.0  e   8        113
         HA     31 ASN  HB3     3.60  #     2  1092000.0  e   8        114
         HA     32 ASN  HN      3.60  #     2  1390000.0  e   8        378
         HB2    32 ASN  HN      4.50 <#     2   285500.0  e   8        380
         HB3    32 ASN  HN      5.30 >#     2   107700.0  e   8        379
         HB3    33 GLN  HN      4.90  #     3    69540.0  e   8        385
 32 ASN  
         HN     32 ASN  HA      3.10  #     2  2665000.0  e   8         29
         HN     32 ASN  HB2     4.30  #     2   388200.0  e   8         30
         HN     32 ASN  HB3     4.30  #     2   379600.0  e   8         31
         HN     32 ASN  HD22    4.80  #     1    43680.0  e   8        530
         HN     33 GLN  HN      3.60  #     2  1036000.0  e   8        317
         HA     32 ASN  HB2     3.10  #     2  2611200.0  e   622-D2O   35
         HA     32 ASN  HB3     3.50  #     2  1422000.0  e   622-D2O   36
         HA     32 ASN  HD21    3.40  #     1   359800.0  e   8        442
         HA     32 ASN  HD22    3.60  #     1   260100.0  e   8        445
         HA     33 GLN  HN      4.30  #     2   409400.0  e   8        383
         HB2    32 ASN  HD21    3.30  #     1   454400.0  e   8        440
         HB2    32 ASN  HD22    3.40  #     1   391300.0  e   8        446
         HB2    33 GLN  HN      5.30  #     2   107800.0  e   8        384
         HB3    32 ASN  HD21    4.10  #     1   116500.0  e   8        441
         HB3    32 ASN  HD22    4.50  #     1    62430.0  e   8        447
 33 GLN  
         HN     33 GLN  HA      4.10  #     2   492200.0  e   8         85
         HN     33 GLN  HB2     4.00  #     2   633100.0  e   8         82
         HN     33 GLN  HB3     3.70  #     2   928900.0  e   8         84
         HN     33 GLN  QG      4.80  # m   1   176900.0*2e   8         81
         HN     34 CYSS HN      5.10  #     2   131300.0  e   8        515
         HA     33 GLN  HB2     3.70  #     2   916200.1  e   622-D2O   32
         HA     33 GLN  HB3     3.60  #     2  1037160.1  e   622-D2O   33
         HA     33 GLN  QG      3.80  # i   1   500340.0*2e   622-D2O   31
         HA     34 CYSS HN      3.50  #     2  1393000.0  e   8        391
         HB2    33 GLN  QG      4.20  # m   1   554500.0*2e   8        389
         HB2    34 CYSS HN      4.30  #     2   369100.0  e   8        393
         HB3    33 GLN  QG      4.20  # m   1   561000.0*2e   8        390
         HB3    34 CYSS HN      4.80  #     2   191700.0  e   8        394
         QG     33 GLN  HE21    4.70  # m   1   215550.0*2e   8        453
         QG     33 GLN  HE22    4.80  # m   1   171700.0*2e   8        452
         QG     34 CYSS HN      5.70  # m   5   236900.0*2e   8        392
 34 CYSS 
         HN     34 CYSS HA      4.10  #     2   548400.0  e   8        139
         HN     34 CYSS HB2     3.60  #     2  1131000.0  e   8        399
         HN     34 CYSS HB3     3.30  #     2  1932000.0  e   8        400
         HA     34 CYSS HB2     3.50  #     2  1388000.0  e   8        404
         HA     34 CYSS HB3     3.80  #     2   863700.0  e   8        403
         HA     35 ARG  HN      3.20  #     2  2152000.0  e   8        397
         HB2    35 ARG  HN      4.30  #     2   392200.0  e   8        401
         HB3    35 ARG  HN      4.60  #     2   267500.0  e   8        402
 35 ARG  
         HN     35 ARG  HB2     3.80  #     2   773600.0  e   8          8
         HN     35 ARG  HB3     4.30  #     2   395100.0  e   8          9
         HN     35 ARG  HG2     5.20 >#     1    27630.0  e   8        540
         HN     35 ARG  HG3     3.90 <#     1   154600.0  e   8         10
         HN     35 ARG  QD      6.60  # m   1    16415.0*2e   8          7
         HB2    35 ARG  HE      3.70 <#     1   207200.0  e   8        524
         HB2    36 CYSS HN      4.90  #     2   177600.0  e   8        405
         HB3    35 ARG  HE      4.50 >#     1    63550.0  e   8        525
         HG2    35 ARG  HE      3.40  #     1   336700.0  e   8        526
         HG3    35 ARG  HE      3.10  #     1   588400.0  e   8        527
         HG3    36 CYSS HN      4.70  #     5   224100.0  e   8        406
         QD     35 ARG  HE      3.90  # m   1   879000.0*2e   8        523
 36 CYSS 
         HN     36 CYSS HA      4.10  #     2   487600.0  e   8        137
         HN     36 CYSS HB2     4.00 >#     2   594500.0  e   8        136
         HN     36 CYSS HB3     3.40 <#     2  1697000.0  e   8        135
         HN     37 TYR  HN      4.90  #     2   165800.0  e   8        511
         HA     36 CYSS HB2     3.10  #     2  2685600.0  e   622-D2O    2
         HA     36 CYSS HB3     3.50  #     2  1390800.0  e   622-D2O    3
         HA     37 TYR  HN      3.20  #     2  2280000.0  e   8        412
         HA     37 TYR  HB2     5.30  #     2   106300.0  e   8        548
         HB2    37 TYR  HN      4.00  #     2   618500.0  e   8        413
         HB3    37 TYR  HN      4.50  #     2   298600.0  e   8        414
 37 TYR  
         HN     37 TYR  HA      4.80  #     2   193500.0  e   8        142
         HN     37 TYR  HB2     4.20  #     2   440900.0  e   8        141
         HN     37 TYR  HB3     3.90  #     2   707400.0  e   8        140
         HN     37 TYR  QD      5.70  # r   1   223450.0*2e   8        470
         HA     37 TYR  HB2     3.70  #     2   971600.0  e   8        488
         HA     37 TYR  HB3     3.90  #     2   659200.0  e   8        487
         HA     37 TYR  QD      5.20  # m   1    93000.0*2e   8        469
         HB2    37 TYR  QD      5.00  # r   1   779000.0*2e   8        457
         HB2    37 TYR  QE      6.30  # r   1    88000.0*2e   8        460
         HB3    37 TYR  QD      4.90  # r   1   959000.0*2e   8        458
         HB3    37 TYR  QE      6.70  # r   1    47835.0*2e   8        459
         QD     37 TYR  QE      6.70  # rr  1  1410750.0*4e   8        474


# H-bond constraints

  35 ARG  O       28 LYS  HN      2.20
  35 ARG  O       28 LYS   N      3.20
  28 LYS  O       35 ARG  HN      2.20
  28 LYS  O       35 ARG   N      3.20
  30 GLN  O       33 GLN  HN      2.20
  30 GLN  O       33 GLN   N      3.20
  33 GLN  O       30 GLN  HN      2.20
  33 GLN  O       30 GLN   N      3.20
  36 CYSS O        2 GLY  HN      2.20
  36 CYSS O        2 GLY   N      3.20


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1H        PHE   1   0.917  -0.966  10.853
    2    HA   PHE   1           HA       PHE   1   0.543  -3.533  10.961
    3   2HB   PHE   1          2HB       PHE   1  -1.212  -3.993   8.929
    4    HD1  PHE   1           HD1      PHE   1  -3.335  -2.323  11.271
    5    HD2  PHE   1           HD2      PHE   1  -0.719  -5.732  10.891
    6    HE1  PHE   1           HE1      PHE   1  -4.368  -3.349  13.276
    7    HE2  PHE   1           HE2      PHE   1  -1.698  -6.703  12.945
    8    HZ   PHE   1           HZ       PHE   1  -3.524  -5.519  14.142
    9    H    GLY   2           H        GLY   2  -0.176  -2.746   7.685
   10   1HA   GLY   2          1HA       GLY   2   2.600  -3.285   6.830
   11   2HA   GLY   2          2HA       GLY   2   1.183  -2.986   5.843
   12    H    LEU   3           H        LEU   3   4.075  -1.516   6.731
   13    HA   LEU   3           HA       LEU   3   3.030   0.806   5.416
   14   2HB   LEU   3          2HB       LEU   3   2.876   1.524   7.823
   15    HG   LEU   3           HG       LEU   3   5.901   0.946   7.777
   16   1HD1  LEU   3          1HD1      LEU   3   4.321   2.832   9.639
   17   2HD1  LEU   3          2HD1      LEU   3   6.023   2.357   9.830
   18   3HD1  LEU   3          3HD1      LEU   3   5.528   3.312   8.425
   19   1HD2  LEU   3          1HD2      LEU   3   5.375   0.054  10.090
   20   2HD2  LEU   3          2HD2      LEU   3   3.645   0.322   9.804
   21   3HD2  LEU   3          3HD2      LEU   3   4.552  -0.852   8.825
   22    H    ILE   4           H        ILE   4   4.223   1.447   3.798
   23    HA   ILE   4           HA       ILE   4   6.893   0.218   3.537
   24    HB   ILE   4           HB       ILE   4   6.040  -0.721   1.581
   25   2HG1  ILE   4          2HG1      ILE   4   4.589   1.738   1.125
   26   1HG2  ILE   4          1HG2      ILE   4   4.830  -1.736   3.498
   27   2HG2  ILE   4          2HG2      ILE   4   3.463  -0.618   3.254
   28   3HG2  ILE   4          3HG2      ILE   4   3.901  -1.794   1.999
   29   1HD1  ILE   4          1HD1      ILE   4   4.775  -0.797  -0.508
   30   2HD1  ILE   4          2HD1      ILE   4   4.435   0.862  -1.079
   31   3HD1  ILE   4          3HD1      ILE   4   6.048   0.446  -0.425
   32    H    ASP   5           H        ASP   5   8.076   1.344   1.657
   33    HA   ASP   5           HA       ASP   5   6.927   3.969   0.951
   34   2HB   ASP   5          2HB       ASP   5   9.880   3.727   1.564
   35    H    VAL   6           H        VAL   6   6.123   2.944  -0.716
   36    HA   VAL   6           HA       VAL   6   8.004   3.146  -2.952
   37    HB   VAL   6           HB       VAL   6   5.915   0.922  -2.872
   38   1HG1  VAL   6          1HG1      VAL   6   6.805   0.346  -5.121
   39   2HG1  VAL   6          2HG1      VAL   6   5.995   1.915  -5.107
   40   3HG1  VAL   6          3HG1      VAL   6   7.773   1.836  -5.105
   41   1HG2  VAL   6          1HG2      VAL   6   7.875  -0.577  -3.193
   42   2HG2  VAL   6          2HG2      VAL   6   8.965   0.819  -3.057
   43   3HG2  VAL   6          3HG2      VAL   6   8.003   0.296  -1.663
   44    H    LYS   7           H        LYS   7   7.229   4.429  -4.444
   45    HA   LYS   7           HA       LYS   7   5.408   6.394  -4.166
   46   2HB   LYS   7          2HB       LYS   7   5.405   6.481  -6.687
   47   2HG   LYS   7          2HG       LYS   7   7.525   6.895  -4.823
   48   2HD   LYS   7          2HD       LYS   7   8.498   5.843  -7.518
   49   2HE   LYS   7          2HE       LYS   7   9.973   6.945  -5.064
   50   1HZ   LYS   7          1HZ       LYS   7  11.234   5.240  -6.176
   51   2HZ   LYS   7          2HZ       LYS   7  11.068   5.999  -7.630
   52   3HZ   LYS   7          3HZ       LYS   7  11.918   6.712  -6.418
   53    H    CYS   8           H        CYS   8   3.328   6.240  -3.542
   54    HA   CYS   8           HA       CYS   8   1.398   4.278  -4.625
   55   2HB   CYS   8          2HB       CYS   8   1.276   6.054  -2.566
   56    H    PHE   9           H        PHE   9   0.475   4.410  -6.601
   57    HA   PHE   9           HA       PHE   9   0.299   7.094  -7.908
   58   2HB   PHE   9          2HB       PHE   9  -1.002   4.786  -9.259
   59    HD1  PHE   9           HD1      PHE   9  -1.759   6.962 -10.459
   60    HD2  PHE   9           HD2      PHE   9   2.343   5.621 -10.375
   61    HE1  PHE   9           HE1      PHE   9  -1.250   8.381 -12.427
   62    HE2  PHE   9           HE2      PHE   9   2.841   7.034 -12.348
   63    HZ   PHE   9           HZ       PHE   9   1.047   8.414 -13.379
   64    H    ALA  10           H        ALA  10  -1.304   5.022  -5.719
   65    HA   ALA  10           HA       ALA  10  -3.578   6.505  -5.311
   66   1HB   ALA  10          1HB       ALA  10  -5.341   5.003  -6.324
   67   2HB   ALA  10          2HB       ALA  10  -4.442   5.893  -7.550
   68   3HB   ALA  10          3HB       ALA  10  -4.066   4.184  -7.249
   69    H    SER  11           H        SER  11  -4.927   5.419  -3.733
   70    HA   SER  11           HA       SER  11  -3.709   3.564  -1.941
   71   2HB   SER  11          2HB       SER  11  -6.144   3.168  -1.243
   72    HG   SER  11           HG       SER  11  -5.069   5.799  -1.550
   73    H    SER  12           H        SER  12  -5.784   2.981  -4.837
   74    HA   SER  12           HA       SER  12  -6.225   0.262  -4.273
   75   2HB   SER  12          2HB       SER  12  -7.711   1.213  -5.776
   76    HG   SER  12           HG       SER  12  -5.700   2.310  -7.415
   77    H    GLU  13           H        GLU  13  -3.325   1.885  -5.372
   78    HA   GLU  13           HA       GLU  13  -2.215  -0.406  -6.778
   79   2HB   GLU  13          2HB       GLU  13  -0.649   1.571  -5.270
   80   2HG   GLU  13          2HG       GLU  13   0.819   1.557  -7.325
   81    H    CYS  14           H        CYS  14  -1.899   1.080  -3.490
   82    HA   CYS  14           HA       CYS  14  -0.056  -0.454  -2.222
   83   2HB   CYS  14          2HB       CYS  14  -1.140   0.124  -0.242
   84    H    TRP  15           H        TRP  15  -3.236  -1.173  -3.284
   85    HA   TRP  15           HA       TRP  15  -3.705  -3.466  -1.516
   86   2HB   TRP  15          2HB       TRP  15  -5.504  -4.052  -3.065
   87    HD1  TRP  15           HD1      TRP  15  -4.766  -1.181  -0.987
   88    HE1  TRP  15           HE1      TRP  15  -6.846   0.152  -0.386
   89    HE3  TRP  15           HE3      TRP  15  -7.918  -3.237  -4.359
   90    HZ2  TRP  15           HZ2      TRP  15  -9.599   0.370  -1.365
   91    HZ3  TRP  15           HZ3      TRP  15 -10.277  -2.411  -4.583
   92    HH2  TRP  15           HH2      TRP  15 -11.115  -0.623  -3.077
   93    H    THR  16           H        THR  16  -2.926  -3.229  -5.083
   94    HA   THR  16           HA       THR  16  -2.139  -5.936  -5.349
   95    HB   THR  16           HB       THR  16  -0.788  -4.677  -7.324
   96    HG1  THR  16           HG1      THR  16  -1.162  -2.549  -6.856
   97   1HG2  THR  16          1HG2      THR  16  -2.717  -6.212  -7.618
   98   2HG2  THR  16          2HG2      THR  16  -3.829  -4.909  -7.125
   99   3HG2  THR  16          3HG2      THR  16  -2.899  -4.767  -8.629
  100    H    ALA  17           H        ALA  17  -0.279  -3.027  -4.192
  101    HA   ALA  17           HA       ALA  17   2.208  -4.409  -4.276
  102   1HB   ALA  17          1HB       ALA  17   1.975  -1.933  -3.951
  103   2HB   ALA  17          2HB       ALA  17   1.363  -2.227  -2.311
  104   3HB   ALA  17          3HB       ALA  17   3.021  -2.685  -2.732
  105    H    CYS  18           H        CYS  18  -0.011  -3.985  -1.509
  106    HA   CYS  18           HA       CYS  18   1.435  -5.563   0.324
  107   2HB   CYS  18          2HB       CYS  18  -0.981  -5.728   1.299
  108    H    LYS  19           H        LYS  19  -0.977  -6.339  -2.125
  109    HA   LYS  19           HA       LYS  19  -1.291  -9.044  -1.401
  110   2HB   LYS  19          2HB       LYS  19  -2.277  -9.073  -3.773
  111   2HG   LYS  19          2HG       LYS  19  -3.546  -6.985  -2.453
  112   2HD   LYS  19          2HD       LYS  19  -5.162  -8.832  -1.743
  113   2HE   LYS  19          2HE       LYS  19  -4.365  -8.840  -4.712
  114   1HZ   LYS  19          1HZ       LYS  19  -6.606  -9.538  -5.081
  115   2HZ   LYS  19          2HZ       LYS  19  -5.825 -10.663  -4.175
  116   3HZ   LYS  19          3HZ       LYS  19  -6.911  -9.646  -3.471
  117    H    LYS  20           H        LYS  20   0.849  -7.452  -3.707
  118    HA   LYS  20           HA       LYS  20   2.095  -9.772  -4.818
  119   2HB   LYS  20          2HB       LYS  20   4.153  -8.202  -5.016
  120   2HG   LYS  20          2HG       LYS  20   1.456  -7.666  -6.296
  121   2HD   LYS  20          2HD       LYS  20   4.145  -6.282  -6.704
  122   2HE   LYS  20          2HE       LYS  20   3.010  -5.200  -8.701
  123   1HZ   LYS  20          1HZ       LYS  20   4.661  -6.894  -9.048
  124   2HZ   LYS  20          2HZ       LYS  20   3.523  -8.083  -8.997
  125   3HZ   LYS  20          3HZ       LYS  20   3.503  -6.973 -10.208
  126    H    VAL  21           H        VAL  21   3.222  -7.819  -1.941
  127    HA   VAL  21           HA       VAL  21   5.197  -9.710  -1.265
  128    HB   VAL  21           HB       VAL  21   4.287  -8.529   1.144
  129   1HG1  VAL  21          1HG1      VAL  21   6.419  -7.218   0.874
  130   2HG1  VAL  21          2HG1      VAL  21   6.657  -8.916   0.398
  131   3HG1  VAL  21          3HG1      VAL  21   6.410  -7.664  -0.853
  132   1HG2  VAL  21          1HG2      VAL  21   4.361  -6.377  -0.973
  133   2HG2  VAL  21          2HG2      VAL  21   2.920  -6.984  -0.106
  134   3HG2  VAL  21          3HG2      VAL  21   4.212  -6.177   0.782
  135    H    THR  22           H        THR  22   1.892  -9.377   0.124
  136    HA   THR  22           HA       THR  22   2.326 -12.037   1.491
  137    HB   THR  22           HB       THR  22   0.743 -11.206   3.177
  138    HG1  THR  22           HG1      THR  22   0.967  -8.742   1.751
  139   1HG2  THR  22          1HG2      THR  22   3.110  -9.317   2.878
  140   2HG2  THR  22          2HG2      THR  22   2.231  -9.718   4.360
  141   3HG2  THR  22          3HG2      THR  22   3.191 -10.964   3.539
  142    H    GLY  23           H        GLY  23  -0.148  -9.862   0.299
  143   1HA   GLY  23          1HA       GLY  23  -2.058 -11.107  -1.100
  144   2HA   GLY  23          2HA       GLY  23  -2.106 -12.143   0.319
  145    H    SER  24           H        SER  24  -1.321  -9.424   1.852
  146    HA   SER  24           HA       SER  24  -4.083  -9.165   2.789
  147   2HB   SER  24          2HB       SER  24  -2.386  -9.328   4.458
  148    HG   SER  24           HG       SER  24  -0.582  -8.448   3.437
  149    H    GLY  25           H        GLY  25  -4.588  -8.371   0.514
  150   1HA   GLY  25          1HA       GLY  25  -3.578  -6.049  -0.573
  151   2HA   GLY  25          2HA       GLY  25  -5.112  -6.732  -0.992
  152    H    GLN  26           H        GLN  26  -5.455  -5.902   2.266
  153    HA   GLN  26           HA       GLN  26  -7.326  -3.773   1.442
  154   2HB   GLN  26          2HB       GLN  26  -8.184  -4.000   3.701
  155   2HG   GLN  26          2HG       GLN  26  -7.667  -6.779   2.540
  156   1HE2  GLN  26          1HE2      GLN  26  -7.890  -6.974   5.144
  157   2HE2  GLN  26          2HE2      GLN  26  -9.546  -7.275   5.640
  158    H    GLY  27           H        GLY  27  -6.242  -1.827   1.187
  159   1HA   GLY  27          1HA       GLY  27  -4.588  -0.784   3.381
  160   2HA   GLY  27          2HA       GLY  27  -3.753  -1.179   1.854
  161    H    LYS  28           H        LYS  28  -3.314   1.232   2.269
  162    HA   LYS  28           HA       LYS  28  -4.975   2.879   0.553
  163   2HB   LYS  28          2HB       LYS  28  -4.712   3.336   3.574
  164   2HG   LYS  28          2HG       LYS  28  -5.197   5.351   1.456
  165   2HD   LYS  28          2HD       LYS  28  -6.857   6.549   2.978
  166   2HE   LYS  28          2HE       LYS  28  -8.892   5.345   2.214
  167   1HZ   LYS  28          1HZ       LYS  28  -7.701   6.702   0.613
  168   2HZ   LYS  28          2HZ       LYS  28  -6.837   5.404   0.085
  169   3HZ   LYS  28          3HZ       LYS  28  -8.467   5.443  -0.111
  170    H    CYS  29           H        CYS  29  -3.838   4.668  -0.186
  171    HA   CYS  29           HA       CYS  29  -0.920   4.468   0.314
  172   2HB   CYS  29          2HB       CYS  29  -1.842   4.768  -2.229
  173    H    GLN  30           H        GLN  30   0.233   6.353   0.892
  174    HA   GLN  30           HA       GLN  30  -1.264   8.663   2.036
  175   2HB   GLN  30          2HB       GLN  30   1.253   7.316   3.111
  176   2HG   GLN  30          2HG       GLN  30   1.092   9.768   3.624
  177   1HE2  GLN  30          1HE2      GLN  30  -0.574  11.305   3.371
  178   2HE2  GLN  30          2HE2      GLN  30  -2.084  11.230   4.263
  179    H    ASN  31           H        ASN  31  -0.644  10.306   0.620
  180    HA   ASN  31           HA       ASN  31   0.696  11.758  -0.494
  181   2HB   ASN  31          2HB       ASN  31   3.124  11.830   0.283
  182   1HD2  ASN  31          1HD2      ASN  31   3.514  13.366   1.928
  183   2HD2  ASN  31          2HD2      ASN  31   2.236  13.918   2.996
  184    H    ASN  32           H        ASN  32   3.089   9.164  -0.311
  185    HA   ASN  32           HA       ASN  32   2.700   8.063  -2.769
  186   2HB   ASN  32          2HB       ASN  32   5.475   9.166  -3.034
  187   1HD2  ASN  32          1HD2      ASN  32   2.151   9.950  -4.090
  188   2HD2  ASN  32          2HD2      ASN  32   2.202   8.792  -5.324
  189    H    GLN  33           H        GLN  33   2.639   7.220  -0.278
  190    HA   GLN  33           HA       GLN  33   4.569   5.045  -0.329
  191   2HB   GLN  33          2HB       GLN  33   4.571   5.234   2.225
  192   2HG   GLN  33          2HG       GLN  33   6.408   6.151   0.590
  193   1HE2  GLN  33          1HE2      GLN  33   8.055   7.974   1.276
  194   2HE2  GLN  33          2HE2      GLN  33   7.450   9.623   1.002
  195    H    CYS  34           H        CYS  34   3.424   3.380   1.509
  196    HA   CYS  34           HA       CYS  34   0.542   3.531   1.247
  197   2HB   CYS  34          2HB       CYS  34   1.468   1.079  -0.036
  198    H    ARG  35           H        ARG  35  -0.607   1.839   2.220
  199    HA   ARG  35           HA       ARG  35   0.950   0.316   4.235
  200   2HB   ARG  35          2HB       ARG  35  -0.765   1.374   5.921
  201   2HG   ARG  35          2HG       ARG  35   1.365   2.951   4.519
  202   2HD   ARG  35          2HD       ARG  35   0.722   3.805   7.248
  203    HE   ARG  35           HE       ARG  35   1.785   4.892   4.711
  204   1HH1  ARG  35          1HH1      ARG  35   0.799   5.835   7.948
  205   2HH1  ARG  35          2HH1      ARG  35   1.923   7.152   8.091
  206   1HH2  ARG  35          1HH2      ARG  35   3.347   6.571   4.869
  207   2HH2  ARG  35          2HH2      ARG  35   3.387   7.598   6.260
  208    H    CYS  36           H        CYS  36   0.027  -1.644   4.741
  209    HA   CYS  36           HA       CYS  36  -2.763  -2.162   3.836
  210   2HB   CYS  36          2HB       CYS  36  -1.992  -3.858   2.894
  211    H    TYR  37           H        TYR  37  -3.973  -3.588   5.269
  212    HA   TYR  37           HA       TYR  37  -3.649  -2.962   8.169
  213   2HB   TYR  37          2HB       TYR  37  -6.029  -3.583   6.390
  214    HD1  TYR  37           HD1      TYR  37  -5.486  -2.044   9.790
  215    HD2  TYR  37           HD2      TYR  37  -7.550  -5.024   7.450
  216    HE1  TYR  37           HE1      TYR  37  -6.854  -2.646  11.762
  217    HE2  TYR  37           HE2      TYR  37  -8.931  -5.605   9.410
  218    HH   TYR  37           HH       TYR  37  -8.578  -3.955  12.569
  Start of MODEL    2
    1   1H    PHE   1          1H        PHE   1   1.614  -1.844  11.693
    2    HA   PHE   1           HA       PHE   1  -0.335  -3.466  10.612
    3   2HB   PHE   1          2HB       PHE   1  -1.674  -1.969   9.229
    4    HD1  PHE   1           HD1      PHE   1  -3.450  -2.856  10.618
    5    HD2  PHE   1           HD2      PHE   1  -0.948   0.314  12.026
    6    HE1  PHE   1           HE1      PHE   1  -5.145  -2.324  12.381
    7    HE2  PHE   1           HE2      PHE   1  -2.612   0.848  13.825
    8    HZ   PHE   1           HZ       PHE   1  -4.718  -0.468  13.980
    9    H    GLY   2           H        GLY   2  -0.235  -2.924   8.002
   10   1HA   GLY   2          1HA       GLY   2   2.476  -2.842   7.121
   11   2HA   GLY   2          2HA       GLY   2   1.046  -2.656   6.133
   12    H    LEU   3           H        LEU   3   3.806  -1.041   7.282
   13    HA   LEU   3           HA       LEU   3   2.761   1.234   5.834
   14   2HB   LEU   3          2HB       LEU   3   2.710   2.017   8.192
   15    HG   LEU   3           HG       LEU   3   5.741   1.437   8.077
   16   1HD1  LEU   3          1HD1      LEU   3   4.177   3.292   9.981
   17   2HD1  LEU   3          2HD1      LEU   3   5.894   2.857  10.111
   18   3HD1  LEU   3          3HD1      LEU   3   5.327   3.797   8.724
   19   1HD2  LEU   3          1HD2      LEU   3   3.533   0.750  10.136
   20   2HD2  LEU   3          2HD2      LEU   3   4.498  -0.387   9.168
   21   3HD2  LEU   3          3HD2      LEU   3   5.274   0.566  10.423
   22    H    ILE   4           H        ILE   4   4.080   1.670   4.070
   23    HA   ILE   4           HA       ILE   4   6.682   0.278   4.023
   24    HB   ILE   4           HB       ILE   4   5.900  -0.797   2.096
   25   2HG1  ILE   4          2HG1      ILE   4   4.526   1.571   1.362
   26   1HG2  ILE   4          1HG2      ILE   4   3.777  -1.860   2.542
   27   2HG2  ILE   4          2HG2      ILE   4   4.643  -1.669   4.074
   28   3HG2  ILE   4          3HG2      ILE   4   3.289  -0.576   3.659
   29   1HD1  ILE   4          1HD1      ILE   4   4.422  -1.204   0.154
   30   2HD1  ILE   4          2HD1      ILE   4   4.157   0.354  -0.666
   31   3HD1  ILE   4          3HD1      ILE   4   5.784  -0.073  -0.060
   32    H    ASP   5           H        ASP   5   7.750   1.045   1.825
   33    HA   ASP   5           HA       ASP   5   6.607   3.580   0.864
   34   2HB   ASP   5          2HB       ASP   5   9.594   3.239   1.261
   35    H    VAL   6           H        VAL   6   5.665   2.667  -0.769
   36    HA   VAL   6           HA       VAL   6   7.561   2.441  -2.892
   37    HB   VAL   6           HB       VAL   6   6.435   0.030  -2.438
   38   1HG1  VAL   6          1HG1      VAL   6   4.523   1.247  -4.487
   39   2HG1  VAL   6          2HG1      VAL   6   4.538  -0.409  -3.860
   40   3HG1  VAL   6          3HG1      VAL   6   4.067   0.934  -2.802
   41   1HG2  VAL   6          1HG2      VAL   6   8.146   0.537  -4.106
   42   2HG2  VAL   6          2HG2      VAL   6   6.875  -0.481  -4.803
   43   3HG2  VAL   6          3HG2      VAL   6   6.926   1.252  -5.179
   44    H    LYS   7           H        LYS   7   6.796   3.526  -4.704
   45    HA   LYS   7           HA       LYS   7   5.445   5.842  -3.941
   46   2HB   LYS   7          2HB       LYS   7   5.688   6.396  -6.445
   47   2HG   LYS   7          2HG       LYS   7   7.892   5.541  -4.540
   48   2HD   LYS   7          2HD       LYS   7   8.362   6.749  -7.304
   49   2HE   LYS   7          2HE       LYS   7  10.756   6.436  -6.683
   50   1HZ   LYS   7          1HZ       LYS   7   9.746   8.535  -6.035
   51   2HZ   LYS   7          2HZ       LYS   7   9.338   7.922  -4.562
   52   3HZ   LYS   7          3HZ       LYS   7  10.922   8.090  -4.969
   53    H    CYS   8           H        CYS   8   3.310   6.199  -3.659
   54    HA   CYS   8           HA       CYS   8   1.261   4.421  -4.797
   55   2HB   CYS   8          2HB       CYS   8   1.342   6.474  -2.823
   56    H    PHE   9           H        PHE   9   0.797   4.513  -6.790
   57    HA   PHE   9           HA       PHE   9   0.434   7.026  -8.299
   58   2HB   PHE   9          2HB       PHE   9  -0.749   4.379  -9.135
   59    HD1  PHE   9           HD1      PHE   9   2.115   5.860 -10.847
   60    HD2  PHE   9           HD2      PHE   9  -2.189   6.011 -10.517
   61    HE1  PHE   9           HE1      PHE   9   1.990   7.106 -12.984
   62    HE2  PHE   9           HE2      PHE   9  -2.301   7.261 -12.653
   63    HZ   PHE   9           HZ       PHE   9  -0.214   7.814 -13.889
   64    H    ALA  10           H        ALA  10  -1.152   5.018  -5.922
   65    HA   ALA  10           HA       ALA  10  -3.429   6.523  -5.552
   66   1HB   ALA  10          1HB       ALA  10  -5.199   5.033  -6.508
   67   2HB   ALA  10          2HB       ALA  10  -4.264   5.812  -7.784
   68   3HB   ALA  10          3HB       ALA  10  -3.946   4.114  -7.366
   69    H    SER  11           H        SER  11  -4.737   5.561  -3.883
   70    HA   SER  11           HA       SER  11  -3.566   3.701  -2.066
   71   2HB   SER  11          2HB       SER  11  -6.007   3.454  -1.314
   72    HG   SER  11           HG       SER  11  -4.999   6.112  -1.610
   73    H    SER  12           H        SER  12  -5.714   3.114  -4.891
   74    HA   SER  12           HA       SER  12  -6.287   0.446  -4.223
   75   2HB   SER  12          2HB       SER  12  -7.734   1.260  -5.809
   76    HG   SER  12           HG       SER  12  -6.986   2.735  -7.463
   77    H    GLU  13           H        GLU  13  -3.341   1.920  -5.437
   78    HA   GLU  13           HA       GLU  13  -2.309  -0.443  -6.739
   79   2HB   GLU  13          2HB       GLU  13  -0.675   1.524  -5.280
   80   2HG   GLU  13          2HG       GLU  13   0.798   1.401  -7.314
   81    H    CYS  14           H        CYS  14  -1.862   1.109  -3.505
   82    HA   CYS  14           HA       CYS  14  -0.042  -0.461  -2.255
   83   2HB   CYS  14          2HB       CYS  14  -1.019   0.297  -0.244
   84    H    TRP  15           H        TRP  15  -3.281  -1.094  -3.135
   85    HA   TRP  15           HA       TRP  15  -3.792  -3.380  -1.351
   86   2HB   TRP  15          2HB       TRP  15  -5.598  -3.940  -2.861
   87    HD1  TRP  15           HD1      TRP  15  -4.753  -1.028  -0.894
   88    HE1  TRP  15           HE1      TRP  15  -6.731   0.427  -0.367
   89    HE3  TRP  15           HE3      TRP  15  -8.001  -2.989  -4.274
   90    HZ2  TRP  15           HZ2      TRP  15  -9.485   0.768  -1.361
   91    HZ3  TRP  15           HZ3      TRP  15 -10.314  -2.085  -4.477
   92    HH2  TRP  15           HH2      TRP  15 -11.059  -0.213  -3.027
   93    H    THR  16           H        THR  16  -3.069  -3.209  -4.936
   94    HA   THR  16           HA       THR  16  -2.311  -5.926  -5.175
   95    HB   THR  16           HB       THR  16  -1.002  -4.701  -7.211
   96    HG1  THR  16           HG1      THR  16  -1.382  -2.587  -6.773
   97   1HG2  THR  16          1HG2      THR  16  -3.122  -4.864  -8.480
   98   2HG2  THR  16          2HG2      THR  16  -2.891  -6.283  -7.440
   99   3HG2  THR  16          3HG2      THR  16  -4.028  -4.997  -6.959
  100    H    ALA  17           H        ALA  17  -0.388  -3.031  -4.091
  101    HA   ALA  17           HA       ALA  17   2.088  -4.438  -4.184
  102   1HB   ALA  17          1HB       ALA  17   1.860  -1.972  -3.793
  103   2HB   ALA  17          2HB       ALA  17   1.269  -2.321  -2.152
  104   3HB   ALA  17          3HB       ALA  17   2.916  -2.776  -2.618
  105    H    CYS  18           H        CYS  18  -0.310  -4.156  -1.526
  106    HA   CYS  18           HA       CYS  18   1.139  -5.792   0.309
  107   2HB   CYS  18          2HB       CYS  18  -1.878  -5.712   0.340
  108    H    LYS  19           H        LYS  19  -1.152  -6.487  -2.336
  109    HA   LYS  19           HA       LYS  19  -1.520  -9.212  -1.700
  110   2HB   LYS  19          2HB       LYS  19  -2.140  -9.319  -4.132
  111   2HG   LYS  19          2HG       LYS  19  -3.333  -6.993  -2.833
  112   2HD   LYS  19          2HD       LYS  19  -4.205  -7.914  -5.114
  113   2HE   LYS  19          2HE       LYS  19  -5.209 -10.063  -3.155
  114   1HZ   LYS  19          1HZ       LYS  19  -6.873  -9.471  -4.782
  115   2HZ   LYS  19          2HZ       LYS  19  -5.819  -9.748  -6.019
  116   3HZ   LYS  19          3HZ       LYS  19  -6.298 -10.987  -5.049
  117    H    LYS  20           H        LYS  20   0.637  -7.532  -3.914
  118    HA   LYS  20           HA       LYS  20   2.129  -9.637  -4.940
  119   2HB   LYS  20          2HB       LYS  20   3.384  -6.961  -4.227
  120   2HG   LYS  20          2HG       LYS  20   4.727  -8.803  -5.462
  121   2HD   LYS  20          2HD       LYS  20   2.833  -7.826  -7.659
  122   2HE   LYS  20          2HE       LYS  20   5.237  -9.724  -7.807
  123   1HZ   LYS  20          1HZ       LYS  20   3.511 -10.229  -9.408
  124   2HZ   LYS  20          2HZ       LYS  20   3.515  -8.675  -9.959
  125   3HZ   LYS  20          3HZ       LYS  20   4.843  -9.621 -10.155
  126    H    VAL  21           H        VAL  21   2.807  -7.826  -1.786
  127    HA   VAL  21           HA       VAL  21   5.134  -9.282  -1.202
  128    HB   VAL  21           HB       VAL  21   3.089  -7.472   0.160
  129   1HG1  VAL  21          1HG1      VAL  21   5.660  -8.522   1.228
  130   2HG1  VAL  21          2HG1      VAL  21   4.766  -7.094   1.869
  131   3HG1  VAL  21          3HG1      VAL  21   3.990  -8.689   1.862
  132   1HG2  VAL  21          1HG2      VAL  21   4.848  -5.755  -0.086
  133   2HG2  VAL  21          2HG2      VAL  21   5.981  -6.975  -0.720
  134   3HG2  VAL  21          3HG2      VAL  21   4.583  -6.472  -1.685
  135    H    THR  22           H        THR  22   1.826  -9.194   0.222
  136    HA   THR  22           HA       THR  22   2.487 -11.702   1.590
  137    HB   THR  22           HB       THR  22   2.325 -10.287   3.308
  138    HG1  THR  22           HG1      THR  22   0.671 -11.964   3.433
  139   1HG2  THR  22          1HG2      THR  22   0.743  -8.490   3.668
  140   2HG2  THR  22          2HG2      THR  22   1.620  -8.210   2.162
  141   3HG2  THR  22          3HG2      THR  22  -0.056  -8.820   2.126
  142    H    GLY  23           H        GLY  23   0.023 -10.146  -0.385
  143   1HA   GLY  23          1HA       GLY  23  -1.600 -11.505  -1.648
  144   2HA   GLY  23          2HA       GLY  23  -1.697 -12.620  -0.292
  145    H    SER  24           H        SER  24  -1.492 -10.141   1.484
  146    HA   SER  24           HA       SER  24  -4.328 -10.181   2.099
  147   2HB   SER  24          2HB       SER  24  -3.649  -9.219   4.188
  148    HG   SER  24           HG       SER  24  -1.378 -10.777   3.673
  149    H    GLY  25           H        GLY  25  -4.668  -9.019  -0.026
  150   1HA   GLY  25          1HA       GLY  25  -3.606  -6.669  -0.802
  151   2HA   GLY  25          2HA       GLY  25  -5.159  -7.286  -1.337
  152    H    GLN  26           H        GLN  26  -4.568  -5.759   1.878
  153    HA   GLN  26           HA       GLN  26  -6.918  -4.042   1.338
  154   2HB   GLN  26          2HB       GLN  26  -7.630  -4.668   3.536
  155   2HG   GLN  26          2HG       GLN  26  -6.596  -7.177   2.152
  156   1HE2  GLN  26          1HE2      GLN  26  -9.816  -6.077   3.332
  157   2HE2  GLN  26          2HE2      GLN  26 -10.007  -7.430   4.428
  158    H    GLY  27           H        GLY  27  -5.907  -1.988   1.117
  159   1HA   GLY  27          1HA       GLY  27  -4.560  -0.856   3.490
  160   2HA   GLY  27          2HA       GLY  27  -3.587  -1.099   2.013
  161    H    LYS  28           H        LYS  28  -3.318   1.272   2.280
  162    HA   LYS  28           HA       LYS  28  -4.802   2.613   0.272
  163   2HB   LYS  28          2HB       LYS  28  -5.185   4.701   1.724
  164   2HG   LYS  28          2HG       LYS  28  -7.023   2.774   1.119
  165   2HD   LYS  28          2HD       LYS  28  -7.509   3.624   4.004
  166   2HE   LYS  28          2HE       LYS  28  -9.351   2.814   2.342
  167   1HZ   LYS  28          1HZ       LYS  28  -9.540   0.526   2.062
  168   2HZ   LYS  28          2HZ       LYS  28  -7.914   0.771   1.822
  169   3HZ   LYS  28          3HZ       LYS  28  -8.446   0.172   3.238
  170    H    CYS  29           H        CYS  29  -3.752   4.733  -0.199
  171    HA   CYS  29           HA       CYS  29  -0.843   4.385   0.273
  172   2HB   CYS  29          2HB       CYS  29  -1.742   4.808  -2.200
  173    H    GLN  30           H        GLN  30   0.372   6.434   0.778
  174    HA   GLN  30           HA       GLN  30  -1.210   8.621   1.986
  175   2HB   GLN  30          2HB       GLN  30   1.195   7.357   3.362
  176   2HG   GLN  30          2HG       GLN  30  -0.806   9.536   4.099
  177   1HE2  GLN  30          1HE2      GLN  30   0.291  10.766   6.118
  178   2HE2  GLN  30          2HE2      GLN  30   0.396   9.744   7.535
  179    H    ASN  31           H        ASN  31  -0.454  10.456   1.060
  180    HA   ASN  31           HA       ASN  31   0.870  11.986   0.070
  181   2HB   ASN  31          2HB       ASN  31   3.415  11.748   0.633
  182   1HD2  ASN  31          1HD2      ASN  31   3.343  13.820   1.475
  183   2HD2  ASN  31          2HD2      ASN  31   2.429  14.244   2.911
  184    H    ASN  32           H        ASN  32   3.180   9.295  -0.293
  185    HA   ASN  32           HA       ASN  32   2.465   8.504  -2.836
  186   2HB   ASN  32          2HB       ASN  32   4.767  10.498  -2.669
  187   1HD2  ASN  32          1HD2      ASN  32   3.048   8.355  -5.056
  188   2HD2  ASN  32          2HD2      ASN  32   4.434   7.368  -4.818
  189    H    GLN  33           H        GLN  33   2.686   7.384  -0.388
  190    HA   GLN  33           HA       GLN  33   4.766   5.352  -0.597
  191   2HB   GLN  33          2HB       GLN  33   4.938   5.424   1.880
  192   2HG   GLN  33          2HG       GLN  33   6.612   6.713   0.379
  193   1HE2  GLN  33          1HE2      GLN  33   6.404   8.548  -0.911
  194   2HE2  GLN  33          2HE2      GLN  33   6.080  10.161  -0.264
  195    H    CYS  34           H        CYS  34   3.676   3.589   1.304
  196    HA   CYS  34           HA       CYS  34   0.779   3.770   1.139
  197   2HB   CYS  34          2HB       CYS  34   1.483   1.181   0.186
  198    H    ARG  35           H        ARG  35  -0.388   2.061   2.109
  199    HA   ARG  35           HA       ARG  35   1.052   0.796   4.340
  200   2HB   ARG  35          2HB       ARG  35  -0.557   1.823   5.957
  201   2HG   ARG  35          2HG       ARG  35   0.751   3.854   4.189
  202   2HD   ARG  35          2HD       ARG  35  -0.596   4.871   5.982
  203    HE   ARG  35           HE       ARG  35   0.825   3.006   7.401
  204   1HH1  ARG  35          1HH1      ARG  35   0.483   6.523   7.555
  205   2HH1  ARG  35          2HH1      ARG  35   0.777   6.675   9.265
  206   1HH2  ARG  35          1HH2      ARG  35   1.218   3.166   9.758
  207   2HH2  ARG  35          2HH2      ARG  35   1.235   4.711  10.543
  208    H    CYS  36           H        CYS  36  -0.108  -0.797   5.324
  209    HA   CYS  36           HA       CYS  36  -2.586  -1.828   3.986
  210   2HB   CYS  36          2HB       CYS  36  -0.066  -3.496   4.338
  211    H    TYR  37           H        TYR  37  -3.696  -3.388   5.321
  212    HA   TYR  37           HA       TYR  37  -3.596  -2.436   8.027
  213   2HB   TYR  37          2HB       TYR  37  -5.602  -3.147   6.477
  214    HD1  TYR  37           HD1      TYR  37  -6.855  -5.037   9.029
  215    HD2  TYR  37           HD2      TYR  37  -4.387  -5.542   5.524
  216    HE1  TYR  37           HE1      TYR  37  -7.763  -7.318   8.705
  217    HE2  TYR  37           HE2      TYR  37  -5.355  -7.787   5.173
  218    HH   TYR  37           HH       TYR  37  -7.343  -8.998   5.663
  Start of MODEL    3
    1   1H    PHE   1          1H        PHE   1   1.631  -2.844  11.411
    2    HA   PHE   1           HA       PHE   1  -0.246  -4.072   9.631
    3   2HB   PHE   1          2HB       PHE   1  -1.801  -2.472  10.446
    4    HD1  PHE   1           HD1      PHE   1   0.393   0.117   8.888
    5    HD2  PHE   1           HD2      PHE   1  -1.317  -1.354  12.562
    6    HE1  PHE   1           HE1      PHE   1   1.230   2.115  10.090
    7    HE2  PHE   1           HE2      PHE   1  -0.559   0.690  13.734
    8    HZ   PHE   1           HZ       PHE   1   0.735   2.419  12.508
    9    H    GLY   2           H        GLY   2   0.186  -3.414   7.417
   10   1HA   GLY   2          1HA       GLY   2   2.935  -2.950   6.733
   11   2HA   GLY   2          2HA       GLY   2   1.554  -2.837   5.667
   12    H    LEU   3           H        LEU   3   4.052  -0.973   6.964
   13    HA   LEU   3           HA       LEU   3   2.763   1.293   5.689
   14   2HB   LEU   3          2HB       LEU   3   2.629   1.808   8.139
   15    HG   LEU   3           HG       LEU   3   5.693   1.677   7.933
   16   1HD1  LEU   3          1HD1      LEU   3   3.917   3.032  10.066
   17   2HD1  LEU   3          2HD1      LEU   3   5.683   2.855  10.132
   18   3HD1  LEU   3          3HD1      LEU   3   4.946   3.855   8.871
   19   1HD2  LEU   3          1HD2      LEU   3   5.407   0.477  10.181
   20   2HD2  LEU   3          2HD2      LEU   3   3.656   0.424   9.905
   21   3HD2  LEU   3          3HD2      LEU   3   4.772  -0.432   8.818
   22    H    ILE   4           H        ILE   4   4.003   1.796   3.891
   23    HA   ILE   4           HA       ILE   4   6.614   0.513   3.727
   24    HB   ILE   4           HB       ILE   4   5.607  -0.865   2.089
   25   2HG1  ILE   4          2HG1      ILE   4   4.376   1.211   1.014
   26   1HG2  ILE   4          1HG2      ILE   4   4.572  -1.448   4.340
   27   2HG2  ILE   4          2HG2      ILE   4   3.167  -0.415   3.941
   28   3HG2  ILE   4          3HG2      ILE   4   3.529  -1.865   2.997
   29   1HD1  ILE   4          1HD1      ILE   4   3.325  -1.663   0.870
   30   2HD1  ILE   4          2HD1      ILE   4   2.957  -0.390  -0.280
   31   3HD1  ILE   4          3HD1      ILE   4   4.624  -1.011  -0.146
   32    H    ASP   5           H        ASP   5   7.786   1.414   1.888
   33    HA   ASP   5           HA       ASP   5   6.695   3.994   0.834
   34   2HB   ASP   5          2HB       ASP   5   9.632   3.358   1.095
   35    H    VAL   6           H        VAL   6   5.504   2.846  -0.551
   36    HA   VAL   6           HA       VAL   6   7.121   2.499  -3.026
   37    HB   VAL   6           HB       VAL   6   5.552   1.033  -4.077
   38   1HG1  VAL   6          1HG1      VAL   6   7.417   0.047  -2.795
   39   2HG1  VAL   6          2HG1      VAL   6   6.386  -0.074  -1.357
   40   3HG1  VAL   6          3HG1      VAL   6   5.997  -1.018  -2.811
   41   1HG2  VAL   6          1HG2      VAL   6   3.732  -0.079  -2.715
   42   2HG2  VAL   6          2HG2      VAL   6   4.002   1.178  -1.480
   43   3HG2  VAL   6          3HG2      VAL   6   3.437   1.624  -3.101
   44    H    LYS   7           H        LYS   7   6.582   3.820  -4.622
   45    HA   LYS   7           HA       LYS   7   5.278   6.195  -3.789
   46   2HB   LYS   7          2HB       LYS   7   5.986   7.009  -6.071
   47   2HG   LYS   7          2HG       LYS   7   7.909   5.693  -4.086
   48   2HD   LYS   7          2HD       LYS   7   8.521   7.709  -6.288
   49   2HE   LYS   7          2HE       LYS   7  10.168   6.523  -3.983
   50   1HZ   LYS   7          1HZ       LYS   7  11.507   6.694  -5.956
   51   2HZ   LYS   7          2HZ       LYS   7  11.077   8.273  -6.174
   52   3HZ   LYS   7          3HZ       LYS   7  11.958   7.830  -4.855
   53    H    CYS   8           H        CYS   8   3.169   6.026  -3.450
   54    HA   CYS   8           HA       CYS   8   1.265   4.666  -5.070
   55   2HB   CYS   8          2HB       CYS   8   1.011   5.301  -2.818
   56    H    PHE   9           H        PHE   9   0.545   5.171  -7.063
   57    HA   PHE   9           HA       PHE   9  -0.032   8.005  -7.806
   58   2HB   PHE   9          2HB       PHE   9  -1.216   6.833  -9.723
   59    HD1  PHE   9           HD1      PHE   9   2.013   5.048  -9.146
   60    HD2  PHE   9           HD2      PHE   9   0.104   8.508 -10.874
   61    HE1  PHE   9           HE1      PHE   9   4.113   5.625 -10.328
   62    HE2  PHE   9           HE2      PHE   9   2.198   9.075 -12.065
   63    HZ   PHE   9           HZ       PHE   9   4.208   7.635 -11.799
   64    H    ALA  10           H        ALA  10  -1.405   5.172  -6.167
   65    HA   ALA  10           HA       ALA  10  -3.718   6.662  -5.312
   66   1HB   ALA  10          1HB       ALA  10  -4.512   6.050  -7.590
   67   2HB   ALA  10          2HB       ALA  10  -4.105   4.351  -7.276
   68   3HB   ALA  10          3HB       ALA  10  -5.402   5.141  -6.356
   69    H    SER  11           H        SER  11  -5.150   5.126  -3.929
   70    HA   SER  11           HA       SER  11  -3.604   3.589  -2.078
   71   2HB   SER  11          2HB       SER  11  -5.648   4.557  -1.298
   72    HG   SER  11           HG       SER  11  -7.572   4.422  -2.568
   73    H    SER  12           H        SER  12  -5.465   2.665  -5.015
   74    HA   SER  12           HA       SER  12  -5.681  -0.034  -4.402
   75   2HB   SER  12          2HB       SER  12  -6.973   0.774  -6.184
   76    HG   SER  12           HG       SER  12  -4.726   1.672  -7.633
   77    H    GLU  13           H        GLU  13  -3.007   1.743  -5.768
   78    HA   GLU  13           HA       GLU  13  -1.075  -0.053  -6.553
   79   2HB   GLU  13          2HB       GLU  13  -0.768   2.051  -4.434
   80   2HG   GLU  13          2HG       GLU  13   1.248   0.726  -5.835
   81    H    CYS  14           H        CYS  14  -1.952   0.876  -3.201
   82    HA   CYS  14           HA       CYS  14   0.092  -0.512  -1.822
   83   2HB   CYS  14          2HB       CYS  14  -1.060   0.314   0.068
   84    H    TRP  15           H        TRP  15  -3.100  -1.118  -2.999
   85    HA   TRP  15           HA       TRP  15  -3.712  -3.418  -1.260
   86   2HB   TRP  15          2HB       TRP  15  -5.460  -3.952  -2.840
   87    HD1  TRP  15           HD1      TRP  15  -4.744  -1.143  -0.771
   88    HE1  TRP  15           HE1      TRP  15  -6.763   0.328  -0.322
   89    HE3  TRP  15           HE3      TRP  15  -7.777  -2.882  -4.487
   90    HZ2  TRP  15           HZ2      TRP  15  -9.398   0.771  -1.509
   91    HZ3  TRP  15           HZ3      TRP  15 -10.033  -1.905  -4.825
   92    HH2  TRP  15           HH2      TRP  15 -10.853  -0.087  -3.346
   93    H    THR  16           H        THR  16  -2.843  -3.093  -4.783
   94    HA   THR  16           HA       THR  16  -2.126  -5.799  -5.148
   95    HB   THR  16           HB       THR  16  -0.684  -4.618  -7.016
   96    HG1  THR  16           HG1      THR  16  -0.949  -2.506  -5.914
   97   1HG2  THR  16          1HG2      THR  16  -3.721  -4.377  -6.882
   98   2HG2  THR  16          2HG2      THR  16  -2.745  -4.296  -8.360
   99   3HG2  THR  16          3HG2      THR  16  -2.816  -5.806  -7.431
  100    H    ALA  17           H        ALA  17  -0.231  -3.087  -3.717
  101    HA   ALA  17           HA       ALA  17   2.234  -4.503  -3.732
  102   1HB   ALA  17          1HB       ALA  17   2.970  -2.936  -2.026
  103   2HB   ALA  17          2HB       ALA  17   2.018  -2.054  -3.235
  104   3HB   ALA  17          3HB       ALA  17   1.307  -2.466  -1.659
  105    H    CYS  18           H        CYS  18  -0.222  -4.265  -1.079
  106    HA   CYS  18           HA       CYS  18   1.172  -6.034   0.613
  107   2HB   CYS  18          2HB       CYS  18  -1.790  -6.207   0.804
  108    H    LYS  19           H        LYS  19  -1.100  -6.566  -2.043
  109    HA   LYS  19           HA       LYS  19  -1.597  -9.301  -1.615
  110   2HB   LYS  19          2HB       LYS  19  -2.071  -9.173  -4.140
  111   2HG   LYS  19          2HG       LYS  19  -3.361  -7.032  -2.651
  112   2HD   LYS  19          2HD       LYS  19  -4.048  -7.785  -5.086
  113   2HE   LYS  19          2HE       LYS  19  -5.949  -9.370  -5.016
  114   1HZ   LYS  19          1HZ       LYS  19  -3.645 -10.658  -3.710
  115   2HZ   LYS  19          2HZ       LYS  19  -4.838 -11.418  -4.541
  116   3HZ   LYS  19          3HZ       LYS  19  -3.795 -10.421  -5.334
  117    H    LYS  20           H        LYS  20   0.635  -7.633  -3.762
  118    HA   LYS  20           HA       LYS  20   1.993  -9.773  -4.940
  119   2HB   LYS  20          2HB       LYS  20   4.029  -8.140  -4.956
  120   2HG   LYS  20          2HG       LYS  20   1.352  -7.520  -6.251
  121   2HD   LYS  20          2HD       LYS  20   4.143  -6.403  -6.796
  122   2HE   LYS  20          2HE       LYS  20   1.494  -5.967  -8.274
  123   1HZ   LYS  20          1HZ       LYS  20   2.872  -3.992  -8.251
  124   2HZ   LYS  20          2HZ       LYS  20   4.164  -4.840  -8.825
  125   3HZ   LYS  20          3HZ       LYS  20   2.823  -4.646  -9.755
  126    H    VAL  21           H        VAL  21   2.977  -8.176  -1.791
  127    HA   VAL  21           HA       VAL  21   4.974 -10.205  -1.351
  128    HB   VAL  21           HB       VAL  21   4.317  -9.253   1.131
  129   1HG1  VAL  21          1HG1      VAL  21   6.330  -7.783   0.820
  130   2HG1  VAL  21          2HG1      VAL  21   6.590  -9.397   0.123
  131   3HG1  VAL  21          3HG1      VAL  21   6.180  -8.025  -0.940
  132   1HG2  VAL  21          1HG2      VAL  21   2.713  -7.615   0.241
  133   2HG2  VAL  21          2HG2      VAL  21   4.050  -6.906   1.144
  134   3HG2  VAL  21          3HG2      VAL  21   4.063  -6.820  -0.622
  135    H    THR  22           H        THR  22   1.910  -9.662   0.587
  136    HA   THR  22           HA       THR  22   2.273 -12.317   1.627
  137    HB   THR  22           HB       THR  22   0.771  -9.745   2.323
  138    HG1  THR  22           HG1      THR  22   2.489  -9.598   3.839
  139   1HG2  THR  22          1HG2      THR  22  -0.332 -11.586   3.309
  140   2HG2  THR  22          2HG2      THR  22   1.215 -12.296   3.866
  141   3HG2  THR  22          3HG2      THR  22   0.618 -10.755   4.566
  142    H    GLY  23           H        GLY  23  -0.042 -10.359  -0.176
  143   1HA   GLY  23          1HA       GLY  23  -1.790 -11.509  -1.536
  144   2HA   GLY  23          2HA       GLY  23  -1.992 -12.677  -0.251
  145    H    SER  24           H        SER  24  -1.609 -10.070   1.581
  146    HA   SER  24           HA       SER  24  -4.409 -10.133   2.334
  147   2HB   SER  24          2HB       SER  24  -2.874 -10.398   4.084
  148    HG   SER  24           HG       SER  24  -1.066  -8.839   4.231
  149    H    GLY  25           H        GLY  25  -4.800  -9.072   0.150
  150   1HA   GLY  25          1HA       GLY  25  -3.652  -6.764  -0.659
  151   2HA   GLY  25          2HA       GLY  25  -5.168  -7.414  -1.273
  152    H    GLN  26           H        GLN  26  -4.917  -5.850   1.971
  153    HA   GLN  26           HA       GLN  26  -6.909  -3.861   1.032
  154   2HB   GLN  26          2HB       GLN  26  -7.850  -4.001   3.201
  155   2HG   GLN  26          2HG       GLN  26  -7.276  -6.854   2.315
  156   1HE2  GLN  26          1HE2      GLN  26  -7.964  -7.653   4.503
  157   2HE2  GLN  26          2HE2      GLN  26  -9.645  -7.458   4.949
  158    H    GLY  27           H        GLY  27  -6.351  -1.657   1.466
  159   1HA   GLY  27          1HA       GLY  27  -4.682  -0.781   3.569
  160   2HA   GLY  27          2HA       GLY  27  -3.685  -1.068   2.120
  161    H    LYS  28           H        LYS  28  -3.363   1.366   2.398
  162    HA   LYS  28           HA       LYS  28  -4.836   2.686   0.330
  163   2HB   LYS  28          2HB       LYS  28  -5.222   4.781   1.814
  164   2HG   LYS  28          2HG       LYS  28  -7.052   2.914   1.014
  165   2HD   LYS  28          2HD       LYS  28  -7.570   3.531   3.961
  166   2HE   LYS  28          2HE       LYS  28  -8.982   1.723   1.925
  167   1HZ   LYS  28          1HZ       LYS  28  -9.774   2.426   4.675
  168   2HZ   LYS  28          2HZ       LYS  28 -10.655   1.537   3.609
  169   3HZ   LYS  28          3HZ       LYS  28  -9.231   0.949   4.179
  170    H    CYS  29           H        CYS  29  -3.800   4.735  -0.265
  171    HA   CYS  29           HA       CYS  29  -0.902   4.490   0.250
  172   2HB   CYS  29          2HB       CYS  29  -1.666   4.714  -2.269
  173    H    GLN  30           H        GLN  30   0.276   6.567   0.617
  174    HA   GLN  30           HA       GLN  30  -1.288   8.870   1.621
  175   2HB   GLN  30          2HB       GLN  30   1.197   7.830   3.008
  176   2HG   GLN  30          2HG       GLN  30  -0.982   9.637   4.129
  177   1HE2  GLN  30          1HE2      GLN  30   2.631   9.502   4.131
  178   2HE2  GLN  30          2HE2      GLN  30   2.778   9.383   5.872
  179    H    ASN  31           H        ASN  31  -0.383  10.635   0.488
  180    HA   ASN  31           HA       ASN  31   1.158  12.021  -0.353
  181   2HB   ASN  31          2HB       ASN  31   3.163  10.315   1.244
  182   1HD2  ASN  31          1HD2      ASN  31   5.147  10.893   0.398
  183   2HD2  ASN  31          2HD2      ASN  31   5.582  12.558   0.022
  184    H    ASN  32           H        ASN  32   3.418   9.405  -0.450
  185    HA   ASN  32           HA       ASN  32   2.728   8.212  -2.865
  186   2HB   ASN  32          2HB       ASN  32   4.784   8.504  -4.227
  187   1HD2  ASN  32          1HD2      ASN  32   2.548   9.256  -5.066
  188   2HD2  ASN  32          2HD2      ASN  32   2.289  10.981  -4.884
  189    H    GLN  33           H        GLN  33   2.675   7.287  -0.554
  190    HA   GLN  33           HA       GLN  33   4.708   5.236  -0.282
  191   2HB   GLN  33          2HB       GLN  33   4.516   5.670   2.258
  192   2HG   GLN  33          2HG       GLN  33   6.508   6.202   0.708
  193   1HE2  GLN  33          1HE2      GLN  33   8.247   7.821   0.728
  194   2HE2  GLN  33          2HE2      GLN  33   7.829   9.496   0.312
  195    H    CYS  34           H        CYS  34   3.486   3.670   1.615
  196    HA   CYS  34           HA       CYS  34   0.598   3.918   1.356
  197   2HB   CYS  34          2HB       CYS  34   1.277   1.298   0.450
  198    H    ARG  35           H        ARG  35  -0.559   2.126   2.336
  199    HA   ARG  35           HA       ARG  35   1.036   0.680   4.339
  200   2HB   ARG  35          2HB       ARG  35  -0.834   1.311   6.028
  201   2HG   ARG  35          2HG       ARG  35   1.266   3.235   5.032
  202   2HD   ARG  35          2HD       ARG  35  -1.231   4.175   6.165
  203    HE   ARG  35           HE       ARG  35   0.505   3.783   8.050
  204   1HH1  ARG  35          1HH1      ARG  35  -0.669   6.607   6.380
  205   2HH1  ARG  35          2HH1      ARG  35   0.010   7.836   7.376
  206   1HH2  ARG  35          1HH2      ARG  35   1.150   5.375   9.791
  207   2HH2  ARG  35          2HH2      ARG  35   0.789   7.061   9.577
  208    H    CYS  36           H        CYS  36   0.084  -1.333   4.958
  209    HA   CYS  36           HA       CYS  36  -2.332  -2.138   3.445
  210   2HB   CYS  36          2HB       CYS  36  -1.894  -4.229   4.129
  211    H    TYR  37           H        TYR  37  -2.478  -3.823   6.174
  212    HA   TYR  37           HA       TYR  37  -3.850  -1.850   7.844
  213   2HB   TYR  37          2HB       TYR  37  -5.326  -2.703   5.821
  214    HD1  TYR  37           HD1      TYR  37  -4.229  -5.033   5.136
  215    HD2  TYR  37           HD2      TYR  37  -7.077  -4.522   8.340
  216    HE1  TYR  37           HE1      TYR  37  -5.035  -7.341   4.800
  217    HE2  TYR  37           HE2      TYR  37  -7.786  -6.873   8.079
  218    HH   TYR  37           HH       TYR  37  -7.572  -8.812   6.807
  Start of MODEL    4
    1   1H    PHE   1          1H        PHE   1   0.585  -6.563   9.265
    2    HA   PHE   1           HA       PHE   1   0.270  -4.564   7.473
    3   2HB   PHE   1          2HB       PHE   1  -1.477  -3.654   8.913
    4    HD1  PHE   1           HD1      PHE   1  -1.563  -5.910   6.977
    5    HD2  PHE   1           HD2      PHE   1  -2.281  -5.861  11.242
    6    HE1  PHE   1           HE1      PHE   1  -3.029  -7.888   6.766
    7    HE2  PHE   1           HE2      PHE   1  -3.756  -7.830  11.007
    8    HZ   PHE   1           HZ       PHE   1  -4.134  -8.852   8.774
    9    H    GLY   2           H        GLY   2   0.123  -2.204   7.658
   10   1HA   GLY   2          1HA       GLY   2   0.580  -0.267   8.986
   11   2HA   GLY   2          2HA       GLY   2   2.180  -0.918   9.437
   12    H    LEU   3           H        LEU   3   3.339   0.829   8.507
   13    HA   LEU   3           HA       LEU   3   2.620   1.680   5.785
   14   2HB   LEU   3          2HB       LEU   3   2.811   3.341   7.627
   15    HG   LEU   3           HG       LEU   3   5.258   2.031   8.230
   16   1HD1  LEU   3          1HD1      LEU   3   6.315   3.219   6.281
   17   2HD1  LEU   3          2HD1      LEU   3   5.846   4.788   6.972
   18   3HD1  LEU   3          3HD1      LEU   3   6.989   3.741   7.835
   19   1HD2  LEU   3          1HD2      LEU   3   5.538   3.893   9.856
   20   2HD2  LEU   3          2HD2      LEU   3   4.321   4.870   9.007
   21   3HD2  LEU   3          3HD2      LEU   3   3.855   3.346   9.801
   22    H    ILE   4           H        ILE   4   4.065   1.859   4.041
   23    HA   ILE   4           HA       ILE   4   6.515   0.213   4.216
   24    HB   ILE   4           HB       ILE   4   5.725  -0.864   2.291
   25   2HG1  ILE   4          2HG1      ILE   4   4.637   1.634   1.396
   26   1HG2  ILE   4          1HG2      ILE   4   3.482  -1.667   2.687
   27   2HG2  ILE   4          2HG2      ILE   4   4.283  -1.452   4.251
   28   3HG2  ILE   4          3HG2      ILE   4   3.077  -0.264   3.691
   29   1HD1  ILE   4          1HD1      ILE   4   4.496  -1.160   0.230
   30   2HD1  ILE   4          2HD1      ILE   4   4.361   0.386  -0.639
   31   3HD1  ILE   4          3HD1      ILE   4   5.912  -0.084   0.102
   32    H    ASP   5           H        ASP   5   7.489   0.762   1.712
   33    HA   ASP   5           HA       ASP   5   6.801   3.515   0.986
   34   2HB   ASP   5          2HB       ASP   5   9.690   2.657   1.239
   35    H    VAL   6           H        VAL   6   5.667   2.987  -0.713
   36    HA   VAL   6           HA       VAL   6   7.457   2.702  -2.907
   37    HB   VAL   6           HB       VAL   6   6.337   0.335  -2.557
   38   1HG1  VAL   6          1HG1      VAL   6   4.310  -0.060  -3.783
   39   2HG1  VAL   6          2HG1      VAL   6   3.947   1.243  -2.639
   40   3HG1  VAL   6          3HG1      VAL   6   4.225   1.615  -4.349
   41   1HG2  VAL   6          1HG2      VAL   6   6.536  -0.070  -4.969
   42   2HG2  VAL   6          2HG2      VAL   6   6.539   1.678  -5.277
   43   3HG2  VAL   6          3HG2      VAL   6   7.870   0.928  -4.367
   44    H    LYS   7           H        LYS   7   7.023   4.178  -4.401
   45    HA   LYS   7           HA       LYS   7   5.400   6.342  -4.095
   46   2HB   LYS   7          2HB       LYS   7   7.201   6.351  -5.604
   47   2HG   LYS   7          2HG       LYS   7   5.682   4.501  -7.496
   48   2HD   LYS   7          2HD       LYS   7   8.491   5.685  -7.518
   49   2HE   LYS   7          2HE       LYS   7   7.049   3.886  -9.534
   50   1HZ   LYS   7          1HZ       LYS   7   9.157   3.898 -10.654
   51   2HZ   LYS   7          2HZ       LYS   7   8.574   5.432 -10.565
   52   3HZ   LYS   7          3HZ       LYS   7   9.798   4.955  -9.571
   53    H    CYS   8           H        CYS   8   3.232   6.562  -3.891
   54    HA   CYS   8           HA       CYS   8   1.369   4.559  -5.117
   55   2HB   CYS   8          2HB       CYS   8   1.117   5.297  -2.929
   56    H    PHE   9           H        PHE   9   0.416   4.933  -7.153
   57    HA   PHE   9           HA       PHE   9  -0.156   7.789  -7.882
   58   2HB   PHE   9          2HB       PHE   9  -1.480   6.471  -9.743
   59    HD1  PHE   9           HD1      PHE   9   2.148   5.599  -9.288
   60    HD2  PHE   9           HD2      PHE   9  -0.742   8.149 -11.228
   61    HE1  PHE   9           HE1      PHE   9   3.966   6.683 -10.597
   62    HE2  PHE   9           HE2      PHE   9   1.066   9.194 -12.556
   63    HZ   PHE   9           HZ       PHE   9   3.426   8.477 -12.237
   64    H    ALA  10           H        ALA  10  -1.479   5.036  -6.146
   65    HA   ALA  10           HA       ALA  10  -3.790   6.551  -5.347
   66   1HB   ALA  10          1HB       ALA  10  -4.628   5.806  -7.570
   67   2HB   ALA  10          2HB       ALA  10  -4.185   4.130  -7.179
   68   3HB   ALA  10          3HB       ALA  10  -5.475   4.948  -6.274
   69    H    SER  11           H        SER  11  -5.156   5.098  -3.829
   70    HA   SER  11           HA       SER  11  -3.549   3.575  -2.003
   71   2HB   SER  11          2HB       SER  11  -5.551   4.620  -1.176
   72    HG   SER  11           HG       SER  11  -7.554   4.370  -2.373
   73    H    SER  12           H        SER  12  -5.633   2.673  -4.798
   74    HA   SER  12           HA       SER  12  -5.852  -0.016  -4.158
   75   2HB   SER  12          2HB       SER  12  -7.263   0.807  -5.838
   76    HG   SER  12           HG       SER  12  -5.131   1.653  -7.475
   77    H    GLU  13           H        GLU  13  -3.246   1.696  -5.741
   78    HA   GLU  13           HA       GLU  13  -1.412  -0.149  -6.639
   79   2HB   GLU  13          2HB       GLU  13  -0.902   1.946  -4.556
   80   2HG   GLU  13          2HG       GLU  13   0.986   0.534  -6.013
   81    H    CYS  14           H        CYS  14  -2.009   0.832  -3.231
   82    HA   CYS  14           HA       CYS  14   0.073  -0.577  -1.974
   83   2HB   CYS  14          2HB       CYS  14  -0.988   0.186  -0.010
   84    H    TRP  15           H        TRP  15  -3.195  -1.178  -2.967
   85    HA   TRP  15           HA       TRP  15  -3.726  -3.410  -1.129
   86   2HB   TRP  15          2HB       TRP  15  -5.551  -3.987  -2.614
   87    HD1  TRP  15           HD1      TRP  15  -4.695  -1.080  -0.688
   88    HE1  TRP  15           HE1      TRP  15  -6.706   0.367  -0.124
   89    HE3  TRP  15           HE3      TRP  15  -7.970  -3.003  -4.085
   90    HZ2  TRP  15           HZ2      TRP  15  -9.437   0.704  -1.101
   91    HZ3  TRP  15           HZ3      TRP  15 -10.271  -2.090  -4.270
   92    HH2  TRP  15           HH2      TRP  15 -11.014  -0.244  -2.785
   93    H    THR  16           H        THR  16  -3.119  -3.272  -4.708
   94    HA   THR  16           HA       THR  16  -2.416  -5.994  -4.997
   95    HB   THR  16           HB       THR  16  -1.109  -4.821  -7.026
   96    HG1  THR  16           HG1      THR  16  -1.369  -2.689  -5.978
   97   1HG2  THR  16          1HG2      THR  16  -3.217  -6.107  -7.254
   98   2HG2  THR  16          2HG2      THR  16  -4.140  -4.697  -6.683
   99   3HG2  THR  16          3HG2      THR  16  -3.270  -4.625  -8.228
  100    H    ALA  17           H        ALA  17  -0.398  -3.202  -3.892
  101    HA   ALA  17           HA       ALA  17   2.061  -4.624  -4.105
  102   1HB   ALA  17          1HB       ALA  17   2.952  -2.957  -2.538
  103   2HB   ALA  17          2HB       ALA  17   1.889  -2.141  -3.695
  104   3HB   ALA  17          3HB       ALA  17   1.326  -2.478  -2.047
  105    H    CYS  18           H        CYS  18  -0.173  -4.265  -1.328
  106    HA   CYS  18           HA       CYS  18   1.291  -5.965   0.413
  107   2HB   CYS  18          2HB       CYS  18  -1.713  -5.848   0.606
  108    H    LYS  19           H        LYS  19  -1.166  -6.587  -2.097
  109    HA   LYS  19           HA       LYS  19  -1.626  -9.278  -1.431
  110   2HB   LYS  19          2HB       LYS  19  -2.372  -9.368  -3.836
  111   2HG   LYS  19          2HG       LYS  19  -3.396  -6.997  -2.578
  112   2HD   LYS  19          2HD       LYS  19  -4.343  -8.503  -4.710
  113   2HE   LYS  19          2HE       LYS  19  -6.272  -9.758  -4.008
  114   1HZ   LYS  19          1HZ       LYS  19  -4.131 -10.964  -3.619
  115   2HZ   LYS  19          2HZ       LYS  19  -4.279 -10.617  -2.007
  116   3HZ   LYS  19          3HZ       LYS  19  -5.414 -11.518  -2.750
  117    H    LYS  20           H        LYS  20   0.491  -7.795  -3.841
  118    HA   LYS  20           HA       LYS  20   1.795 -10.132  -4.793
  119   2HB   LYS  20          2HB       LYS  20   3.798  -8.290  -5.003
  120   2HG   LYS  20          2HG       LYS  20   2.721  -9.484  -6.853
  121   2HD   LYS  20          2HD       LYS  20   0.743  -7.146  -6.883
  122   2HE   LYS  20          2HE       LYS  20  -0.414  -8.492  -8.618
  123   1HZ   LYS  20          1HZ       LYS  20   1.297  -6.978  -9.400
  124   2HZ   LYS  20          2HZ       LYS  20   2.430  -8.170  -9.319
  125   3HZ   LYS  20          3HZ       LYS  20   1.177  -8.299 -10.371
  126    H    VAL  21           H        VAL  21   2.832  -7.985  -1.956
  127    HA   VAL  21           HA       VAL  21   5.160  -9.438  -1.449
  128    HB   VAL  21           HB       VAL  21   3.249  -7.502  -0.066
  129   1HG1  VAL  21          1HG1      VAL  21   5.075  -6.993   1.451
  130   2HG1  VAL  21          2HG1      VAL  21   4.268  -8.559   1.645
  131   3HG1  VAL  21          3HG1      VAL  21   5.889  -8.495   0.879
  132   1HG2  VAL  21          1HG2      VAL  21   4.980  -5.834  -0.613
  133   2HG2  VAL  21          2HG2      VAL  21   6.068  -7.112  -1.203
  134   3HG2  VAL  21          3HG2      VAL  21   4.606  -6.696  -2.115
  135    H    THR  22           H        THR  22   1.865  -9.363  -0.003
  136    HA   THR  22           HA       THR  22   2.654 -11.568   1.746
  137    HB   THR  22           HB       THR  22   1.958  -8.786   2.243
  138    HG1  THR  22           HG1      THR  22   3.789 -10.146   2.941
  139   1HG2  THR  22          1HG2      THR  22  -0.194  -9.478   2.883
  140   2HG2  THR  22          2HG2      THR  22   0.441 -10.828   3.884
  141   3HG2  THR  22          3HG2      THR  22   0.749  -9.137   4.340
  142    H    GLY  23           H        GLY  23   0.000 -10.148  -0.107
  143   1HA   GLY  23          1HA       GLY  23  -1.552 -11.759  -1.117
  144   2HA   GLY  23          2HA       GLY  23  -1.683 -12.594   0.426
  145    H    SER  24           H        SER  24  -1.696  -9.945   1.802
  146    HA   SER  24           HA       SER  24  -4.622  -9.967   2.114
  147   2HB   SER  24          2HB       SER  24  -4.148  -8.775   4.210
  148    HG   SER  24           HG       SER  24  -2.437 -11.000   3.697
  149    H    GLY  25           H        GLY  25  -5.121  -8.815   0.159
  150   1HA   GLY  25          1HA       GLY  25  -3.792  -6.486  -0.621
  151   2HA   GLY  25          2HA       GLY  25  -5.307  -7.078  -1.279
  152    H    GLN  26           H        GLN  26  -4.828  -5.694   2.035
  153    HA   GLN  26           HA       GLN  26  -6.983  -3.733   1.415
  154   2HB   GLN  26          2HB       GLN  26  -7.564  -3.931   3.724
  155   2HG   GLN  26          2HG       GLN  26  -7.153  -6.746   2.655
  156   1HE2  GLN  26          1HE2      GLN  26  -9.925  -7.376   2.624
  157   2HE2  GLN  26          2HE2      GLN  26 -10.489  -7.361   4.283
  158    H    GLY  27           H        GLY  27  -6.199  -1.559   1.483
  159   1HA   GLY  27          1HA       GLY  27  -4.263  -0.728   3.448
  160   2HA   GLY  27          2HA       GLY  27  -3.514  -1.035   1.853
  161    H    LYS  28           H        LYS  28  -3.037   1.363   2.235
  162    HA   LYS  28           HA       LYS  28  -4.749   2.880   0.507
  163   2HB   LYS  28          2HB       LYS  28  -4.461   3.881   3.389
  164   2HG   LYS  28          2HG       LYS  28  -6.260   4.840   1.118
  165   2HD   LYS  28          2HD       LYS  28  -5.670   6.017   3.867
  166   2HE   LYS  28          2HE       LYS  28  -7.561   6.919   1.626
  167   1HZ   LYS  28          1HZ       LYS  28  -8.379   7.451   3.829
  168   2HZ   LYS  28          2HZ       LYS  28  -6.965   8.204   4.212
  169   3HZ   LYS  28          3HZ       LYS  28  -7.924   8.808   3.026
  170    H    CYS  29           H        CYS  29  -3.639   4.725  -0.289
  171    HA   CYS  29           HA       CYS  29  -0.734   4.529   0.141
  172   2HB   CYS  29          2HB       CYS  29  -1.570   4.674  -2.329
  173    H    GLN  30           H        GLN  30   0.446   6.499   0.652
  174    HA   GLN  30           HA       GLN  30  -1.071   8.690   2.030
  175   2HB   GLN  30          2HB       GLN  30   1.568   7.464   2.893
  176   2HG   GLN  30          2HG       GLN  30   0.850   9.822   3.700
  177   1HE2  GLN  30          1HE2      GLN  30  -0.901  10.916   4.627
  178   2HE2  GLN  30          2HE2      GLN  30  -2.047  10.183   5.722
  179    H    ASN  31           H        ASN  31  -0.666  10.304   0.426
  180    HA   ASN  31           HA       ASN  31   0.557  11.922  -0.621
  181   2HB   ASN  31          2HB       ASN  31   3.085  12.051   0.122
  182   1HD2  ASN  31          1HD2      ASN  31   0.144  11.754   2.213
  183   2HD2  ASN  31          2HD2      ASN  31   0.243  13.423   2.771
  184    H    ASN  32           H        ASN  32   3.079   9.487  -0.397
  185    HA   ASN  32           HA       ASN  32   2.800   8.287  -2.796
  186   2HB   ASN  32          2HB       ASN  32   5.485   9.485  -3.231
  187   1HD2  ASN  32          1HD2      ASN  32   2.187  10.370  -4.184
  188   2HD2  ASN  32          2HD2      ASN  32   2.078   9.170  -5.381
  189    H    GLN  33           H        GLN  33   2.879   7.509  -0.245
  190    HA   GLN  33           HA       GLN  33   4.742   5.380  -0.743
  191   2HB   GLN  33          2HB       GLN  33   5.888   6.654   1.092
  192   2HG   GLN  33          2HG       GLN  33   3.398   5.987   2.748
  193   1HE2  GLN  33          1HE2      GLN  33   5.838   4.883   3.673
  194   2HE2  GLN  33          2HE2      GLN  33   6.392   5.901   4.981
  195    H    CYS  34           H        CYS  34   3.719   3.569   1.227
  196    HA   CYS  34           HA       CYS  34   0.813   3.760   1.019
  197   2HB   CYS  34          2HB       CYS  34   1.572   1.159   0.131
  198    H    ARG  35           H        ARG  35  -0.361   2.076   2.057
  199    HA   ARG  35           HA       ARG  35   1.101   0.906   4.330
  200   2HB   ARG  35          2HB       ARG  35  -0.462   1.855   5.936
  201   2HG   ARG  35          2HG       ARG  35   0.382   3.959   3.978
  202   2HD   ARG  35          2HD       ARG  35  -1.184   4.838   5.674
  203    HE   ARG  35           HE       ARG  35   0.689   3.584   7.268
  204   1HH1  ARG  35          1HH1      ARG  35  -0.654   6.871   7.033
  205   2HH1  ARG  35          2HH1      ARG  35  -0.458   7.264   8.708
  206   1HH2  ARG  35          1HH2      ARG  35   0.994   4.134   9.581
  207   2HH2  ARG  35          2HH2      ARG  35   0.542   5.695  10.177
  208    H    CYS  36           H        CYS  36  -0.102  -0.668   5.396
  209    HA   CYS  36           HA       CYS  36  -2.308  -1.931   3.816
  210   2HB   CYS  36          2HB       CYS  36   0.225  -3.405   4.588
  211    H    TYR  37           H        TYR  37  -3.623  -3.384   4.944
  212    HA   TYR  37           HA       TYR  37  -3.546  -3.329   7.917
  213   2HB   TYR  37          2HB       TYR  37  -5.736  -2.367   6.036
  214    HD1  TYR  37           HD1      TYR  37  -5.087  -1.805   9.684
  215    HD2  TYR  37           HD2      TYR  37  -7.749  -3.460   6.717
  216    HE1  TYR  37           HE1      TYR  37  -6.838  -2.086  11.408
  217    HE2  TYR  37           HE2      TYR  37  -9.500  -3.731   8.447
  218    HH   TYR  37           HH       TYR  37  -9.007  -2.752  11.848
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1  -1.323   0.305  10.589
    2    HA   PHE   1           HA       PHE   1  -0.430  -1.587  11.459
    3   2HB   PHE   1          2HB       PHE   1  -1.603  -3.292   9.224
    4    HD1  PHE   1           HD1      PHE   1   0.496  -4.382  10.949
    5    HD2  PHE   1           HD2      PHE   1  -3.664  -3.700  11.917
    6    HE1  PHE   1           HE1      PHE   1   0.686  -5.903  12.880
    7    HE2  PHE   1           HE2      PHE   1  -3.467  -5.263  13.821
    8    HZ   PHE   1           HZ       PHE   1  -1.287  -6.344  14.328
    9    H    GLY   2           H        GLY   2  -0.426  -1.839   8.017
   10   1HA   GLY   2          1HA       GLY   2   2.393  -2.719   7.701
   11   2HA   GLY   2          2HA       GLY   2   1.153  -2.659   6.462
   12    H    LEU   3           H        LEU   3   3.961  -1.213   6.964
   13    HA   LEU   3           HA       LEU   3   3.020   1.160   5.615
   14   2HB   LEU   3          2HB       LEU   3   3.152   1.909   7.986
   15    HG   LEU   3           HG       LEU   3   6.117   1.084   7.727
   16   1HD1  LEU   3          1HD1      LEU   3   4.769   2.927   9.805
   17   2HD1  LEU   3          2HD1      LEU   3   6.460   2.386   9.805
   18   3HD1  LEU   3          3HD1      LEU   3   5.878   3.442   8.510
   19   1HD2  LEU   3          1HD2      LEU   3   4.828  -0.707   8.794
   20   2HD2  LEU   3          2HD2      LEU   3   5.645   0.166  10.079
   21   3HD2  LEU   3          3HD2      LEU   3   3.914   0.436   9.805
   22    H    ILE   4           H        ILE   4   4.208   1.584   3.861
   23    HA   ILE   4           HA       ILE   4   6.573  -0.164   3.505
   24    HB   ILE   4           HB       ILE   4   5.492  -0.984   1.628
   25   2HG1  ILE   4          2HG1      ILE   4   4.414   1.659   1.214
   26   1HG2  ILE   4          1HG2      ILE   4   4.312  -1.736   3.684
   27   2HG2  ILE   4          2HG2      ILE   4   3.099  -0.448   3.459
   28   3HG2  ILE   4          3HG2      ILE   4   3.280  -1.732   2.250
   29   1HD1  ILE   4          1HD1      ILE   4   5.543   0.094  -0.372
   30   2HD1  ILE   4          2HD1      ILE   4   4.070  -0.904  -0.359
   31   3HD1  ILE   4          3HD1      ILE   4   4.006   0.768  -0.974
   32    H    ASP   5           H        ASP   5   7.837   0.462   1.506
   33    HA   ASP   5           HA       ASP   5   8.276   3.392   1.528
   34   2HB   ASP   5          2HB       ASP   5   9.952   1.987   2.663
   35    H    VAL   6           H        VAL   6   6.501   1.969  -0.348
   36    HA   VAL   6           HA       VAL   6   7.967   2.435  -2.914
   37    HB   VAL   6           HB       VAL   6   5.796   0.346  -2.606
   38   1HG1  VAL   6          1HG1      VAL   6   5.936   1.303  -4.858
   39   2HG1  VAL   6          2HG1      VAL   6   7.695   1.038  -4.879
   40   3HG1  VAL   6          3HG1      VAL   6   6.583  -0.340  -4.845
   41   1HG2  VAL   6          1HG2      VAL   6   7.809  -0.414  -1.386
   42   2HG2  VAL   6          2HG2      VAL   6   7.665  -1.286  -2.914
   43   3HG2  VAL   6          3HG2      VAL   6   8.833   0.044  -2.761
   44    H    LYS   7           H        LYS   7   7.126   3.813  -4.218
   45    HA   LYS   7           HA       LYS   7   5.432   5.785  -3.595
   46   2HB   LYS   7          2HB       LYS   7   6.969   5.883  -5.433
   47   2HG   LYS   7          2HG       LYS   7   5.049   4.081  -6.997
   48   2HD   LYS   7          2HD       LYS   7   6.875   4.064  -8.661
   49   2HE   LYS   7          2HE       LYS   7   6.028   6.940  -8.010
   50   1HZ   LYS   7          1HZ       LYS   7   6.145   7.209 -10.358
   51   2HZ   LYS   7          2HZ       LYS   7   7.617   6.752  -9.786
   52   3HZ   LYS   7          3HZ       LYS   7   6.663   5.666 -10.582
   53    H    CYS   8           H        CYS   8   3.340   6.482  -3.972
   54    HA   CYS   8           HA       CYS   8   1.249   4.423  -4.781
   55   2HB   CYS   8          2HB       CYS   8   1.274   6.327  -2.727
   56    H    PHE   9           H        PHE   9   0.589   4.659  -6.846
   57    HA   PHE   9           HA       PHE   9   0.298   7.432  -7.917
   58   2HB   PHE   9          2HB       PHE   9  -0.662   4.928  -9.332
   59    HD1  PHE   9           HD1      PHE   9  -2.044   6.624 -10.653
   60    HD2  PHE   9           HD2      PHE   9   2.256   6.823 -10.455
   61    HE1  PHE   9           HE1      PHE   9  -2.011   8.026 -12.699
   62    HE2  PHE   9           HE2      PHE   9   2.286   8.221 -12.509
   63    HZ   PHE   9           HZ       PHE   9   0.153   8.815 -13.636
   64    H    ALA  10           H        ALA  10  -1.268   5.190  -5.880
   65    HA   ALA  10           HA       ALA  10  -3.662   6.599  -5.613
   66   1HB   ALA  10          1HB       ALA  10  -3.898   4.022  -7.253
   67   2HB   ALA  10          2HB       ALA  10  -5.263   4.884  -6.512
   68   3HB   ALA  10          3HB       ALA  10  -4.344   5.649  -7.812
   69    H    SER  11           H        SER  11  -5.145   5.230  -4.089
   70    HA   SER  11           HA       SER  11  -3.738   3.704  -2.055
   71   2HB   SER  11          2HB       SER  11  -5.677   4.970  -1.438
   72    HG   SER  11           HG       SER  11  -7.636   4.751  -2.706
   73    H    SER  12           H        SER  12  -5.824   2.860  -4.874
   74    HA   SER  12           HA       SER  12  -6.154   0.188  -4.187
   75   2HB   SER  12          2HB       SER  12  -7.516   1.046  -5.895
   76    HG   SER  12           HG       SER  12  -5.410   1.736  -7.606
   77    H    GLU  13           H        GLU  13  -3.522   1.761  -5.894
   78    HA   GLU  13           HA       GLU  13  -1.703  -0.104  -6.694
   79   2HB   GLU  13          2HB       GLU  13  -1.174   1.982  -4.614
   80   2HG   GLU  13          2HG       GLU  13   0.714   0.455  -5.868
   81    H    CYS  14           H        CYS  14  -2.272   0.906  -3.284
   82    HA   CYS  14           HA       CYS  14  -0.158  -0.471  -2.068
   83   2HB   CYS  14          2HB       CYS  14  -1.205   0.317  -0.075
   84    H    TRP  15           H        TRP  15  -3.416  -1.161  -2.993
   85    HA   TRP  15           HA       TRP  15  -3.848  -3.438  -1.170
   86   2HB   TRP  15          2HB       TRP  15  -5.739  -3.988  -2.573
   87    HD1  TRP  15           HD1      TRP  15  -4.852  -1.099  -0.668
   88    HE1  TRP  15           HE1      TRP  15  -6.853   0.360  -0.080
   89    HE3  TRP  15           HE3      TRP  15  -8.183  -3.027  -3.996
   90    HZ2  TRP  15           HZ2      TRP  15  -9.575   0.747  -1.059
   91    HZ3  TRP  15           HZ3      TRP  15 -10.464  -2.059  -4.203
   92    HH2  TRP  15           HH2      TRP  15 -11.170  -0.185  -2.734
   93    H    THR  16           H        THR  16  -3.299  -3.151  -4.748
   94    HA   THR  16           HA       THR  16  -2.595  -5.876  -5.180
   95    HB   THR  16           HB       THR  16  -1.329  -4.560  -7.168
   96    HG1  THR  16           HG1      THR  16  -1.689  -2.498  -6.114
   97   1HG2  THR  16          1HG2      THR  16  -3.337  -5.987  -7.449
   98   2HG2  THR  16          2HG2      THR  16  -4.361  -4.664  -6.832
   99   3HG2  THR  16          3HG2      THR  16  -3.493  -4.477  -8.366
  100    H    ALA  17           H        ALA  17  -0.637  -3.111  -3.957
  101    HA   ALA  17           HA       ALA  17   1.852  -4.452  -4.332
  102   1HB   ALA  17          1HB       ALA  17   2.766  -2.784  -2.777
  103   2HB   ALA  17          2HB       ALA  17   1.639  -1.985  -3.886
  104   3HB   ALA  17          3HB       ALA  17   1.149  -2.343  -2.218
  105    H    CYS  18           H        CYS  18  -0.188  -4.128  -1.406
  106    HA   CYS  18           HA       CYS  18   1.362  -5.825   0.218
  107   2HB   CYS  18          2HB       CYS  18  -1.610  -5.917   0.578
  108    H    LYS  19           H        LYS  19  -1.203  -6.505  -2.143
  109    HA   LYS  19           HA       LYS  19  -1.476  -9.250  -1.547
  110   2HB   LYS  19          2HB       LYS  19  -2.333  -9.197  -4.012
  111   2HG   LYS  19          2HG       LYS  19  -3.629  -7.173  -2.451
  112   2HD   LYS  19          2HD       LYS  19  -5.562  -8.958  -2.595
  113   2HE   LYS  19          2HE       LYS  19  -5.992  -8.765  -5.058
  114   1HZ   LYS  19          1HZ       LYS  19  -5.164  -6.222  -3.828
  115   2HZ   LYS  19          2HZ       LYS  19  -6.212  -6.406  -5.083
  116   3HZ   LYS  19          3HZ       LYS  19  -6.615  -6.960  -3.589
  117    H    LYS  20           H        LYS  20   0.329  -7.633  -4.110
  118    HA   LYS  20           HA       LYS  20   1.621  -9.898  -5.213
  119   2HB   LYS  20          2HB       LYS  20   3.416  -8.212  -5.909
  120   2HG   LYS  20          2HG       LYS  20   0.476  -7.787  -6.545
  121   2HD   LYS  20          2HD       LYS  20   2.043  -5.808  -7.177
  122   2HE   LYS  20          2HE       LYS  20   3.036  -6.038  -9.433
  123   1HZ   LYS  20          1HZ       LYS  20   4.192  -8.125  -7.719
  124   2HZ   LYS  20          2HZ       LYS  20   4.948  -7.315  -8.930
  125   3HZ   LYS  20          3HZ       LYS  20   4.506  -6.516  -7.563
  126    H    VAL  21           H        VAL  21   2.731  -7.855  -2.335
  127    HA   VAL  21           HA       VAL  21   5.185  -9.215  -2.082
  128    HB   VAL  21           HB       VAL  21   3.322  -7.406  -0.482
  129   1HG1  VAL  21          1HG1      VAL  21   4.469  -8.537   1.083
  130   2HG1  VAL  21          2HG1      VAL  21   6.037  -8.391   0.229
  131   3HG1  VAL  21          3HG1      VAL  21   5.235  -6.946   0.946
  132   1HG2  VAL  21          1HG2      VAL  21   4.975  -5.662  -1.039
  133   2HG2  VAL  21          2HG2      VAL  21   6.046  -6.874  -1.779
  134   3HG2  VAL  21          3HG2      VAL  21   4.518  -6.445  -2.564
  135    H    THR  22           H        THR  22   2.088  -9.195  -0.129
  136    HA   THR  22           HA       THR  22   3.077 -11.578   1.195
  137    HB   THR  22           HB       THR  22   1.902  -8.956   1.999
  138    HG1  THR  22           HG1      THR  22   3.436  -9.318   3.651
  139   1HG2  THR  22          1HG2      THR  22   1.394 -11.491   3.563
  140   2HG2  THR  22          2HG2      THR  22   1.250  -9.827   4.203
  141   3HG2  THR  22          3HG2      THR  22   0.217 -10.345   2.863
  142    H    GLY  23           H        GLY  23   0.164 -10.011  -0.162
  143   1HA   GLY  23          1HA       GLY  23  -1.514 -11.547  -1.201
  144   2HA   GLY  23          2HA       GLY  23  -1.454 -12.516   0.268
  145    H    SER  24           H        SER  24  -1.175  -9.702   1.676
  146    HA   SER  24           HA       SER  24  -3.983  -9.946   2.546
  147   2HB   SER  24          2HB       SER  24  -1.749  -8.310   3.821
  148    HG   SER  24           HG       SER  24  -3.472  -7.840   4.982
  149    H    GLY  25           H        GLY  25  -4.656  -8.980   0.478
  150   1HA   GLY  25          1HA       GLY  25  -3.674  -6.623  -0.516
  151   2HA   GLY  25          2HA       GLY  25  -5.210  -7.349  -0.966
  152    H    GLN  26           H        GLN  26  -4.718  -5.830   2.219
  153    HA   GLN  26           HA       GLN  26  -6.944  -3.947   1.619
  154   2HB   GLN  26          2HB       GLN  26  -7.333  -4.161   4.079
  155   2HG   GLN  26          2HG       GLN  26  -6.996  -6.942   2.875
  156   1HE2  GLN  26          1HE2      GLN  26  -9.762  -7.588   3.011
  157   2HE2  GLN  26          2HE2      GLN  26 -10.210  -7.611   4.708
  158    H    GLY  27           H        GLY  27  -6.232  -1.738   1.624
  159   1HA   GLY  27          1HA       GLY  27  -4.380  -0.766   3.583
  160   2HA   GLY  27          2HA       GLY  27  -3.564  -1.068   2.024
  161    H    LYS  28           H        LYS  28  -3.231   1.350   2.301
  162    HA   LYS  28           HA       LYS  28  -4.888   2.692   0.396
  163   2HB   LYS  28          2HB       LYS  28  -4.903   3.933   3.202
  164   2HG   LYS  28          2HG       LYS  28  -6.647   4.372   0.740
  165   2HD   LYS  28          2HD       LYS  28  -6.649   5.838   3.405
  166   2HE   LYS  28          2HE       LYS  28  -8.475   6.009   0.946
  167   1HZ   LYS  28          1HZ       LYS  28  -9.524   7.782   2.124
  168   2HZ   LYS  28          2HZ       LYS  28  -9.657   6.400   2.998
  169   3HZ   LYS  28          3HZ       LYS  28  -8.577   7.559   3.447
  170    H    CYS  29           H        CYS  29  -3.855   4.696  -0.265
  171    HA   CYS  29           HA       CYS  29  -0.974   4.485   0.288
  172   2HB   CYS  29          2HB       CYS  29  -1.855   4.818  -2.215
  173    H    GLN  30           H        GLN  30   0.212   6.545   0.669
  174    HA   GLN  30           HA       GLN  30  -1.329   8.806   1.790
  175   2HB   GLN  30          2HB       GLN  30   1.120   7.676   3.163
  176   2HG   GLN  30          2HG       GLN  30  -1.147   9.490   4.091
  177   1HE2  GLN  30          1HE2      GLN  30  -0.534  10.605   6.221
  178   2HE2  GLN  30          2HE2      GLN  30   0.163   9.579   7.454
  179    H    ASN  31           H        ASN  31  -0.653  10.393   0.405
  180    HA   ASN  31           HA       ASN  31   0.717  11.985  -0.365
  181   2HB   ASN  31          2HB       ASN  31   3.117  10.724   1.042
  182   1HD2  ASN  31          1HD2      ASN  31   3.074  13.153   2.784
  183   2HD2  ASN  31          2HD2      ASN  31   3.638  14.431   1.723
  184    H    ASN  32           H        ASN  32   2.934   9.282  -0.321
  185    HA   ASN  32           HA       ASN  32   2.695   8.262  -2.730
  186   2HB   ASN  32          2HB       ASN  32   5.425   9.387  -3.173
  187   1HD2  ASN  32          1HD2      ASN  32   2.128  10.302  -4.106
  188   2HD2  ASN  32          2HD2      ASN  32   2.009   9.080  -5.295
  189    H    GLN  33           H        GLN  33   2.719   7.335  -0.235
  190    HA   GLN  33           HA       GLN  33   4.447   5.163  -0.752
  191   2HB   GLN  33          2HB       GLN  33   4.954   4.958   1.731
  192   2HG   GLN  33          2HG       GLN  33   6.674   6.633   2.089
  193   1HE2  GLN  33          1HE2      GLN  33   8.824   6.727   0.942
  194   2HE2  GLN  33          2HE2      GLN  33   9.114   5.434  -0.215
  195    H    CYS  34           H        CYS  34   3.447   3.509   1.350
  196    HA   CYS  34           HA       CYS  34   0.550   3.850   1.336
  197   2HB   CYS  34          2HB       CYS  34   1.055   1.224   0.416
  198    H    ARG  35           H        ARG  35  -0.590   2.261   2.496
  199    HA   ARG  35           HA       ARG  35   1.002   0.856   4.528
  200   2HB   ARG  35          2HB       ARG  35  -0.753   1.685   6.240
  201   2HG   ARG  35          2HG       ARG  35   0.887   3.821   4.901
  202   2HD   ARG  35          2HD       ARG  35   0.490   3.414   7.896
  203    HE   ARG  35           HE       ARG  35   0.723   5.921   6.278
  204   1HH1  ARG  35          1HH1      ARG  35   2.352   3.792   8.588
  205   2HH1  ARG  35          2HH1      ARG  35   3.590   4.936   9.008
  206   1HH2  ARG  35          1HH2      ARG  35   2.243   7.428   6.836
  207   2HH2  ARG  35          2HH2      ARG  35   3.566   7.096   7.940
  208    H    CYS  36           H        CYS  36  -0.124  -0.826   5.592
  209    HA   CYS  36           HA       CYS  36  -2.416  -1.907   3.974
  210   2HB   CYS  36          2HB       CYS  36   0.224  -3.305   4.492
  211    H    TYR  37           H        TYR  37  -3.444  -3.856   5.026
  212    HA   TYR  37           HA       TYR  37  -3.338  -3.854   8.010
  213   2HB   TYR  37          2HB       TYR  37  -5.709  -4.739   7.754
  214    HD1  TYR  37           HD1      TYR  37  -5.863  -2.103   5.261
  215    HD2  TYR  37           HD2      TYR  37  -5.518  -2.877   9.486
  216    HE1  TYR  37           HE1      TYR  37  -6.446   0.234   5.721
  217    HE2  TYR  37           HE2      TYR  37  -6.093  -0.511   9.961
  218    HH   TYR  37           HH       TYR  37  -6.768   1.849   7.363
  Start of MODEL    6
    1   1H    PHE   1          1H        PHE   1   0.915  -0.848  11.732
    2    HA   PHE   1           HA       PHE   1  -0.671  -2.793  10.630
    3   2HB   PHE   1          2HB       PHE   1  -2.049  -1.412   9.000
    4    HD1  PHE   1           HD1      PHE   1  -3.333   0.949  11.044
    5    HD2  PHE   1           HD2      PHE   1  -2.829  -3.332  10.998
    6    HE1  PHE   1           HE1      PHE   1  -5.303   0.697  12.530
    7    HE2  PHE   1           HE2      PHE   1  -4.814  -3.579  12.462
    8    HZ   PHE   1           HZ       PHE   1  -6.051  -1.566  13.232
    9    H    GLY   2           H        GLY   2  -0.469  -2.535   8.051
   10   1HA   GLY   2          1HA       GLY   2   2.182  -2.640   7.259
   11   2HA   GLY   2          2HA       GLY   2   0.836  -2.225   6.225
   12    H    LEU   3           H        LEU   3   3.820  -1.099   6.892
   13    HA   LEU   3           HA       LEU   3   2.985   1.198   5.491
   14   2HB   LEU   3          2HB       LEU   3   2.954   2.220   7.759
   15    HG   LEU   3           HG       LEU   3   5.871   1.238   7.831
   16   1HD1  LEU   3          1HD1      LEU   3   6.190   2.872   9.700
   17   2HD1  LEU   3          2HD1      LEU   3   5.828   3.704   8.178
   18   3HD1  LEU   3          3HD1      LEU   3   4.568   3.548   9.424
   19   1HD2  LEU   3          1HD2      LEU   3   5.230   0.738  10.237
   20   2HD2  LEU   3          2HD2      LEU   3   3.552   1.191   9.886
   21   3HD2  LEU   3          3HD2      LEU   3   4.297  -0.206   9.081
   22    H    ILE   4           H        ILE   4   4.246   1.620   3.824
   23    HA   ILE   4           HA       ILE   4   6.794   0.127   3.639
   24    HB   ILE   4           HB       ILE   4   5.914  -0.769   1.661
   25   2HG1  ILE   4          2HG1      ILE   4   4.656   1.770   1.160
   26   1HG2  ILE   4          1HG2      ILE   4   4.637  -1.655   3.613
   27   2HG2  ILE   4          2HG2      ILE   4   3.343  -0.469   3.305
   28   3HG2  ILE   4          3HG2      ILE   4   3.726  -1.710   2.097
   29   1HD1  ILE   4          1HD1      ILE   4   4.379   0.842  -1.020
   30   2HD1  ILE   4          2HD1      ILE   4   5.974   0.352  -0.383
   31   3HD1  ILE   4          3HD1      ILE   4   4.626  -0.814  -0.404
   32    H    ASP   5           H        ASP   5   7.733   1.046   1.297
   33    HA   ASP   5           HA       ASP   5   6.844   3.787   0.815
   34   2HB   ASP   5          2HB       ASP   5   9.811   3.343   1.248
   35    H    VAL   6           H        VAL   6   5.934   2.991  -0.911
   36    HA   VAL   6           HA       VAL   6   7.757   3.055  -3.201
   37    HB   VAL   6           HB       VAL   6   5.515   0.989  -3.056
   38   1HG1  VAL   6          1HG1      VAL   6   6.252   0.373  -5.356
   39   2HG1  VAL   6          2HG1      VAL   6   5.535   1.982  -5.291
   40   3HG1  VAL   6          3HG1      VAL   6   7.304   1.803  -5.382
   41   1HG2  VAL   6          1HG2      VAL   6   8.534   0.679  -3.408
   42   2HG2  VAL   6          2HG2      VAL   6   7.609   0.190  -1.977
   43   3HG2  VAL   6          3HG2      VAL   6   7.348  -0.637  -3.509
   44    H    LYS   7           H        LYS   7   6.990   4.350  -4.770
   45    HA   LYS   7           HA       LYS   7   5.279   6.424  -4.196
   46   2HB   LYS   7          2HB       LYS   7   6.817   6.884  -5.789
   47   2HG   LYS   7          2HG       LYS   7   6.294   5.540  -8.150
   48   2HD   LYS   7          2HD       LYS   7   8.425   4.959  -6.037
   49   2HE   LYS   7          2HE       LYS   7   8.382   4.375  -9.042
   50   1HZ   LYS   7          1HZ       LYS   7  10.492   3.872  -7.041
   51   2HZ   LYS   7          2HZ       LYS   7  10.528   3.414  -8.618
   52   3HZ   LYS   7          3HZ       LYS   7  10.554   5.009  -8.229
   53    H    CYS   8           H        CYS   8   3.223   6.186  -3.560
   54    HA   CYS   8           HA       CYS   8   1.189   4.597  -4.957
   55   2HB   CYS   8          2HB       CYS   8   1.142   5.434  -2.650
   56    H    PHE   9           H        PHE   9   0.422   5.136  -6.951
   57    HA   PHE   9           HA       PHE   9  -0.117   7.998  -7.632
   58   2HB   PHE   9          2HB       PHE   9  -1.415   6.779  -9.515
   59    HD1  PHE   9           HD1      PHE   9   2.106   5.557  -9.033
   60    HD2  PHE   9           HD2      PHE   9  -0.493   8.421 -10.947
   61    HE1  PHE   9           HE1      PHE   9   4.024   6.444 -10.338
   62    HE2  PHE   9           HE2      PHE   9   1.415   9.275 -12.271
   63    HZ   PHE   9           HZ       PHE   9   3.682   8.301 -11.960
   64    H    ALA  10           H        ALA  10  -1.422   5.204  -5.921
   65    HA   ALA  10           HA       ALA  10  -3.789   6.619  -5.126
   66   1HB   ALA  10          1HB       ALA  10  -4.102   4.302  -7.103
   67   2HB   ALA  10          2HB       ALA  10  -5.425   5.068  -6.202
   68   3HB   ALA  10          3HB       ALA  10  -4.544   5.994  -7.422
   69    H    SER  11           H        SER  11  -5.199   5.032  -3.785
   70    HA   SER  11           HA       SER  11  -3.643   3.482  -1.949
   71   2HB   SER  11          2HB       SER  11  -5.698   4.475  -1.185
   72    HG   SER  11           HG       SER  11  -7.627   4.278  -2.452
   73    H    SER  12           H        SER  12  -5.738   2.589  -4.739
   74    HA   SER  12           HA       SER  12  -5.803  -0.117  -4.131
   75   2HB   SER  12          2HB       SER  12  -5.950   1.038  -6.937
   76    HG   SER  12           HG       SER  12  -7.250  -0.839  -7.235
   77    H    GLU  13           H        GLU  13  -3.301   1.614  -5.831
   78    HA   GLU  13           HA       GLU  13  -1.369  -0.135  -6.625
   79   2HB   GLU  13          2HB       GLU  13  -1.019   1.950  -4.504
   80   2HG   GLU  13          2HG       GLU  13   0.953   0.637  -5.987
   81    H    CYS  14           H        CYS  14  -2.083   0.768  -3.208
   82    HA   CYS  14           HA       CYS  14   0.029  -0.611  -1.953
   83   2HB   CYS  14          2HB       CYS  14  -1.053   0.099   0.006
   84    H    TRP  15           H        TRP  15  -3.205  -1.280  -3.002
   85    HA   TRP  15           HA       TRP  15  -3.686  -3.584  -1.225
   86   2HB   TRP  15          2HB       TRP  15  -5.511  -4.147  -2.722
   87    HD1  TRP  15           HD1      TRP  15  -4.797  -1.423  -0.615
   88    HE1  TRP  15           HE1      TRP  15  -6.741   0.202  -0.242
   89    HE3  TRP  15           HE3      TRP  15  -7.695  -2.845  -4.511
   90    HZ2  TRP  15           HZ2      TRP  15  -9.171   0.962  -1.668
   91    HZ3  TRP  15           HZ3      TRP  15  -9.564  -1.378  -5.258
   92    HH2  TRP  15           HH2      TRP  15 -10.417   0.415  -3.757
   93    H    THR  16           H        THR  16  -2.996  -3.250  -4.789
   94    HA   THR  16           HA       THR  16  -2.249  -5.951  -5.189
   95    HB   THR  16           HB       THR  16  -0.887  -4.674  -7.112
   96    HG1  THR  16           HG1      THR  16  -1.234  -2.596  -6.027
   97   1HG2  THR  16          1HG2      THR  16  -3.929  -4.657  -6.887
   98   2HG2  THR  16          2HG2      THR  16  -3.003  -4.494  -8.389
   99   3HG2  THR  16          3HG2      THR  16  -2.936  -6.013  -7.478
  100    H    ALA  17           H        ALA  17  -0.320  -3.182  -3.901
  101    HA   ALA  17           HA       ALA  17   2.173  -4.545  -4.061
  102   1HB   ALA  17          1HB       ALA  17   1.311  -2.509  -1.950
  103   2HB   ALA  17          2HB       ALA  17   2.965  -2.938  -2.400
  104   3HB   ALA  17          3HB       ALA  17   1.928  -2.095  -3.561
  105    H    CYS  18           H        CYS  18  -0.164  -4.343  -1.320
  106    HA   CYS  18           HA       CYS  18   1.301  -6.160   0.304
  107   2HB   CYS  18          2HB       CYS  18  -1.590  -6.364   0.737
  108    H    LYS  19           H        LYS  19  -1.087  -6.644  -2.299
  109    HA   LYS  19           HA       LYS  19  -1.549  -9.354  -1.728
  110   2HB   LYS  19          2HB       LYS  19  -2.193  -9.366  -4.187
  111   2HG   LYS  19          2HG       LYS  19  -3.456  -7.126  -2.871
  112   2HD   LYS  19          2HD       LYS  19  -5.504  -8.444  -3.280
  113   2HE   LYS  19          2HE       LYS  19  -3.766  -8.336  -5.802
  114   1HZ   LYS  19          1HZ       LYS  19  -5.859  -8.202  -6.939
  115   2HZ   LYS  19          2HZ       LYS  19  -5.773  -9.618  -6.111
  116   3HZ   LYS  19          3HZ       LYS  19  -6.701  -8.385  -5.537
  117    H    LYS  20           H        LYS  20   0.673  -7.740  -3.936
  118    HA   LYS  20           HA       LYS  20   2.012 -10.051  -4.941
  119   2HB   LYS  20          2HB       LYS  20   3.910  -8.482  -5.424
  120   2HG   LYS  20          2HG       LYS  20   1.076  -7.881  -6.326
  121   2HD   LYS  20          2HD       LYS  20   2.390  -5.850  -6.811
  122   2HE   LYS  20          2HE       LYS  20   4.110  -6.168  -8.747
  123   1HZ   LYS  20          1HZ       LYS  20   4.839  -5.439  -6.612
  124   2HZ   LYS  20          2HZ       LYS  20   4.948  -6.978  -6.050
  125   3HZ   LYS  20          3HZ       LYS  20   5.941  -6.476  -7.256
  126    H    VAL  21           H        VAL  21   2.765  -8.121  -1.866
  127    HA   VAL  21           HA       VAL  21   5.129  -9.547  -1.320
  128    HB   VAL  21           HB       VAL  21   3.052  -7.811   0.080
  129   1HG1  VAL  21          1HG1      VAL  21   5.598  -8.879   1.172
  130   2HG1  VAL  21          2HG1      VAL  21   4.704  -7.458   1.824
  131   3HG1  VAL  21          3HG1      VAL  21   3.911  -9.042   1.762
  132   1HG2  VAL  21          1HG2      VAL  21   4.585  -6.762  -1.719
  133   2HG2  VAL  21          2HG2      VAL  21   4.784  -6.064  -0.101
  134   3HG2  VAL  21          3HG2      VAL  21   5.955  -7.256  -0.713
  135    H    THR  22           H        THR  22   1.803  -9.564   0.030
  136    HA   THR  22           HA       THR  22   2.450 -12.110   1.321
  137    HB   THR  22           HB       THR  22   2.505 -10.615   3.032
  138    HG1  THR  22           HG1      THR  22   1.053 -12.433   3.344
  139   1HG2  THR  22          1HG2      THR  22  -0.099  -9.333   2.117
  140   2HG2  THR  22          2HG2      THR  22   0.778  -8.977   3.613
  141   3HG2  THR  22          3HG2      THR  22   1.523  -8.594   2.062
  142    H    GLY  23           H        GLY  23  -0.138 -10.294  -0.291
  143   1HA   GLY  23          1HA       GLY  23  -1.670 -11.670  -1.718
  144   2HA   GLY  23          2HA       GLY  23  -1.846 -12.784  -0.369
  145    H    SER  24           H        SER  24  -1.773 -10.317   1.441
  146    HA   SER  24           HA       SER  24  -4.709 -10.368   1.664
  147   2HB   SER  24          2HB       SER  24  -2.849  -9.192   3.740
  148    HG   SER  24           HG       SER  24  -5.241 -10.767   3.813
  149    H    GLY  25           H        GLY  25  -4.921  -9.051  -0.184
  150   1HA   GLY  25          1HA       GLY  25  -3.618  -6.741  -0.784
  151   2HA   GLY  25          2HA       GLY  25  -5.170  -7.236  -1.424
  152    H    GLN  26           H        GLN  26  -4.641  -5.850   1.886
  153    HA   GLN  26           HA       GLN  26  -6.778  -3.898   1.176
  154   2HB   GLN  26          2HB       GLN  26  -7.599  -4.255   3.389
  155   2HG   GLN  26          2HG       GLN  26  -6.889  -6.984   2.257
  156   1HE2  GLN  26          1HE2      GLN  26 -10.203  -6.417   2.260
  157   2HE2  GLN  26          2HE2      GLN  26 -10.561  -7.122   3.826
  158    H    GLY  27           H        GLY  27  -6.177  -1.729   1.425
  159   1HA   GLY  27          1HA       GLY  27  -4.589  -0.771   3.612
  160   2HA   GLY  27          2HA       GLY  27  -3.620  -0.941   2.118
  161    H    LYS  28           H        LYS  28  -3.476   1.483   2.629
  162    HA   LYS  28           HA       LYS  28  -4.922   2.707   0.471
  163   2HB   LYS  28          2HB       LYS  28  -5.436   4.799   1.737
  164   2HG   LYS  28          2HG       LYS  28  -6.912   2.482   3.040
  165   2HD   LYS  28          2HD       LYS  28  -7.746   5.304   2.232
  166   2HE   LYS  28          2HE       LYS  28  -9.280   3.079   3.676
  167   1HZ   LYS  28          1HZ       LYS  28  -9.908   5.281   4.408
  168   2HZ   LYS  28          2HZ       LYS  28 -10.180   5.765   2.856
  169   3HZ   LYS  28          3HZ       LYS  28 -11.115   4.595   3.530
  170    H    CYS  29           H        CYS  29  -3.782   4.772  -0.146
  171    HA   CYS  29           HA       CYS  29  -0.891   4.333   0.298
  172   2HB   CYS  29          2HB       CYS  29  -1.772   4.746  -2.166
  173    H    GLN  30           H        GLN  30   0.448   6.150   0.896
  174    HA   GLN  30           HA       GLN  30  -0.891   8.367   2.385
  175   2HB   GLN  30          2HB       GLN  30   1.763   7.236   3.229
  176   2HG   GLN  30          2HG       GLN  30   0.565   9.386   4.195
  177   1HE2  GLN  30          1HE2      GLN  30  -1.853   9.226   4.308
  178   2HE2  GLN  30          2HE2      GLN  30  -2.588   8.486   5.710
  179    H    ASN  31           H        ASN  31  -0.480   9.971   0.809
  180    HA   ASN  31           HA       ASN  31   0.759  11.650   0.012
  181   2HB   ASN  31          2HB       ASN  31   3.314  10.536   1.255
  182   1HD2  ASN  31          1HD2      ASN  31   1.353  13.437   1.956
  183   2HD2  ASN  31          2HD2      ASN  31   2.550  14.542   1.300
  184    H    ASN  32           H        ASN  32   3.402   9.299  -0.239
  185    HA   ASN  32           HA       ASN  32   2.627   8.211  -2.738
  186   2HB   ASN  32          2HB       ASN  32   4.757   8.722  -4.022
  187   1HD2  ASN  32          1HD2      ASN  32   2.390   9.226  -4.820
  188   2HD2  ASN  32          2HD2      ASN  32   1.946  10.906  -4.562
  189    H    GLN  33           H        GLN  33   2.827   7.305  -0.207
  190    HA   GLN  33           HA       GLN  33   4.776   5.137  -0.467
  191   2HB   GLN  33          2HB       GLN  33   5.009   5.155   1.974
  192   2HG   GLN  33          2HG       GLN  33   6.489   6.728   0.328
  193   1HE2  GLN  33          1HE2      GLN  33   6.866   8.399   3.253
  194   2HE2  GLN  33          2HE2      GLN  33   6.197   9.946   2.752
  195    H    CYS  34           H        CYS  34   3.601   3.439   1.455
  196    HA   CYS  34           HA       CYS  34   0.729   3.659   1.161
  197   2HB   CYS  34          2HB       CYS  34   1.532   1.094   0.090
  198    H    ARG  35           H        ARG  35  -0.501   2.091   2.206
  199    HA   ARG  35           HA       ARG  35   0.944   0.778   4.447
  200   2HB   ARG  35          2HB       ARG  35  -0.709   1.891   5.979
  201   2HG   ARG  35          2HG       ARG  35   0.997   3.677   4.278
  202   2HD   ARG  35          2HD       ARG  35  -0.512   4.821   5.991
  203    HE   ARG  35           HE       ARG  35   0.815   2.885   7.483
  204   1HH1  ARG  35          1HH1      ARG  35  -0.025   6.319   7.738
  205   2HH1  ARG  35          2HH1      ARG  35   0.176   6.439   9.459
  206   1HH2  ARG  35          1HH2      ARG  35   1.056   2.993   9.842
  207   2HH2  ARG  35          2HH2      ARG  35   0.780   4.478  10.698
  208    H    CYS  36           H        CYS  36   0.312  -1.207   4.424
  209    HA   CYS  36           HA       CYS  36  -2.460  -1.933   3.696
  210   2HB   CYS  36          2HB       CYS  36  -1.865  -3.942   3.507
  211    H    TYR  37           H        TYR  37  -3.621  -3.271   5.116
  212    HA   TYR  37           HA       TYR  37  -4.117  -1.938   7.604
  213   2HB   TYR  37          2HB       TYR  37  -5.702  -3.145   5.917
  214    HD1  TYR  37           HD1      TYR  37  -3.989  -5.247   5.165
  215    HD2  TYR  37           HD2      TYR  37  -6.775  -5.237   8.473
  216    HE1  TYR  37           HE1      TYR  37  -4.199  -7.671   4.995
  217    HE2  TYR  37           HE2      TYR  37  -6.924  -7.707   8.325
  218    HH   TYR  37           HH       TYR  37  -5.273  -9.544   5.750
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1   0.701  -2.274  11.366
    2    HA   PHE   1           HA       PHE   1  -0.877  -3.314   9.204
    3   2HB   PHE   1          2HB       PHE   1  -2.263  -1.510   9.095
    4    HD1  PHE   1           HD1      PHE   1  -3.198  -0.212  10.887
    5    HD2  PHE   1           HD2      PHE   1   0.971   0.312   9.914
    6    HE1  PHE   1           HE1      PHE   1  -2.988   1.478  12.681
    7    HE2  PHE   1           HE2      PHE   1   1.212   1.838  11.855
    8    HZ   PHE   1           HZ       PHE   1  -0.782   2.500  13.176
    9    H    GLY   2           H        GLY   2   0.122  -3.028   7.209
   10   1HA   GLY   2          1HA       GLY   2   2.861  -2.781   6.686
   11   2HA   GLY   2          2HA       GLY   2   1.547  -2.375   5.622
   12    H    LEU   3           H        LEU   3   4.250  -0.962   6.740
   13    HA   LEU   3           HA       LEU   3   3.074   1.252   5.451
   14   2HB   LEU   3          2HB       LEU   3   3.021   2.169   7.764
   15    HG   LEU   3           HG       LEU   3   6.038   1.600   7.620
   16   1HD1  LEU   3          1HD1      LEU   3   6.276   3.224   9.508
   17   2HD1  LEU   3          2HD1      LEU   3   5.713   4.023   8.034
   18   3HD1  LEU   3          3HD1      LEU   3   4.571   3.693   9.355
   19   1HD2  LEU   3          1HD2      LEU   3   3.908   1.232   9.844
   20   2HD2  LEU   3          2HD2      LEU   3   4.717  -0.060   8.931
   21   3HD2  LEU   3          3HD2      LEU   3   5.648   0.948  10.035
   22    H    ILE   4           H        ILE   4   4.167   1.635   3.671
   23    HA   ILE   4           HA       ILE   4   6.812   0.363   3.430
   24    HB   ILE   4           HB       ILE   4   5.915  -0.864   1.666
   25   2HG1  ILE   4          2HG1      ILE   4   4.353   1.387   0.934
   26   1HG2  ILE   4          1HG2      ILE   4   3.479  -0.668   3.518
   27   2HG2  ILE   4          2HG2      ILE   4   3.908  -2.000   2.431
   28   3HG2  ILE   4          3HG2      ILE   4   4.937  -1.649   3.826
   29   1HD1  ILE   4          1HD1      ILE   4   4.272  -1.462  -0.085
   30   2HD1  ILE   4          2HD1      ILE   4   3.805   0.017  -0.966
   31   3HD1  ILE   4          3HD1      ILE   4   5.516  -0.265  -0.524
   32    H    ASP   5           H        ASP   5   7.913   1.119   1.430
   33    HA   ASP   5           HA       ASP   5   7.900   4.041   1.465
   34   2HB   ASP   5          2HB       ASP   5   9.959   2.693   1.785
   35    H    VAL   6           H        VAL   6   6.573   1.545  -0.578
   36    HA   VAL   6           HA       VAL   6   7.652   2.565  -2.983
   37    HB   VAL   6           HB       VAL   6   5.325   0.655  -2.638
   38   1HG1  VAL   6          1HG1      VAL   6   5.263   1.571  -4.899
   39   2HG1  VAL   6          2HG1      VAL   6   7.013   1.307  -5.087
   40   3HG1  VAL   6          3HG1      VAL   6   5.902  -0.071  -4.945
   41   1HG2  VAL   6          1HG2      VAL   6   7.071  -1.061  -3.064
   42   2HG2  VAL   6          2HG2      VAL   6   8.307   0.205  -3.190
   43   3HG2  VAL   6          3HG2      VAL   6   7.521  -0.116  -1.640
   44    H    LYS   7           H        LYS   7   7.037   3.967  -4.419
   45    HA   LYS   7           HA       LYS   7   5.379   6.067  -3.897
   46   2HB   LYS   7          2HB       LYS   7   7.165   6.219  -5.423
   47   2HG   LYS   7          2HG       LYS   7   5.548   4.700  -7.511
   48   2HD   LYS   7          2HD       LYS   7   8.425   5.682  -7.427
   49   2HE   LYS   7          2HE       LYS   7   6.735   4.452  -9.671
   50   1HZ   LYS   7          1HZ       LYS   7   8.776   4.494 -10.896
   51   2HZ   LYS   7          2HZ       LYS   7   8.371   6.029 -10.466
   52   3HZ   LYS   7          3HZ       LYS   7   9.575   5.239  -9.667
   53    H    CYS   8           H        CYS   8   3.297   5.827  -3.328
   54    HA   CYS   8           HA       CYS   8   1.287   4.253  -4.682
   55   2HB   CYS   8          2HB       CYS   8   1.272   5.885  -2.497
   56    H    PHE   9           H        PHE   9   0.467   4.554  -6.630
   57    HA   PHE   9           HA       PHE   9   0.332   7.264  -7.860
   58   2HB   PHE   9          2HB       PHE   9  -0.910   4.804  -9.079
   59    HD1  PHE   9           HD1      PHE   9  -2.221   6.083 -10.696
   60    HD2  PHE   9           HD2      PHE   9   1.932   7.045 -10.042
   61    HE1  PHE   9           HE1      PHE   9  -2.245   7.554 -12.688
   62    HE2  PHE   9           HE2      PHE   9   1.893   8.540 -12.021
   63    HZ   PHE   9           HZ       PHE   9  -0.191   8.784 -13.357
   64    H    ALA  10           H        ALA  10  -1.326   5.139  -5.714
   65    HA   ALA  10           HA       ALA  10  -3.521   6.659  -5.126
   66   1HB   ALA  10          1HB       ALA  10  -4.150   4.577  -7.283
   67   2HB   ALA  10          2HB       ALA  10  -5.372   5.325  -6.237
   68   3HB   ALA  10          3HB       ALA  10  -4.475   6.324  -7.382
   69    H    SER  11           H        SER  11  -4.850   5.474  -3.558
   70    HA   SER  11           HA       SER  11  -3.684   3.520  -1.991
   71   2HB   SER  11          2HB       SER  11  -6.156   3.057  -1.333
   72    HG   SER  11           HG       SER  11  -6.314   5.382  -0.685
   73    H    SER  12           H        SER  12  -5.645   2.895  -4.958
   74    HA   SER  12           HA       SER  12  -6.006   0.150  -4.420
   75   2HB   SER  12          2HB       SER  12  -7.424   1.103  -6.006
   76    HG   SER  12           HG       SER  12  -5.269   2.109  -7.531
   77    H    GLU  13           H        GLU  13  -3.208   1.933  -5.576
   78    HA   GLU  13           HA       GLU  13  -1.718  -0.132  -6.863
   79   2HB   GLU  13          2HB       GLU  13  -0.782   1.933  -4.931
   80   2HG   GLU  13          2HG       GLU  13   1.087   2.315  -6.678
   81    H    CYS  14           H        CYS  14  -1.885   1.016  -3.475
   82    HA   CYS  14           HA       CYS  14  -0.017  -0.524  -2.203
   83   2HB   CYS  14          2HB       CYS  14  -1.120   0.115  -0.238
   84    H    TRP  15           H        TRP  15  -3.198  -1.168  -3.345
   85    HA   TRP  15           HA       TRP  15  -3.747  -3.414  -1.539
   86   2HB   TRP  15          2HB       TRP  15  -5.544  -4.011  -3.090
   87    HD1  TRP  15           HD1      TRP  15  -4.783  -1.160  -1.040
   88    HE1  TRP  15           HE1      TRP  15  -6.832   0.232  -0.482
   89    HE3  TRP  15           HE3      TRP  15  -7.958  -3.144  -4.457
   90    HZ2  TRP  15           HZ2      TRP  15  -9.574   0.503  -1.478
   91    HZ3  TRP  15           HZ3      TRP  15 -10.280  -2.264  -4.705
   92    HH2  TRP  15           HH2      TRP  15 -11.099  -0.464  -3.198
   93    H    THR  16           H        THR  16  -3.082  -3.294  -5.102
   94    HA   THR  16           HA       THR  16  -2.278  -5.986  -5.360
   95    HB   THR  16           HB       THR  16  -0.915  -4.744  -7.322
   96    HG1  THR  16           HG1      THR  16  -1.408  -2.636  -6.350
   97   1HG2  THR  16          1HG2      THR  16  -3.017  -4.747  -8.640
   98   2HG2  THR  16          2HG2      THR  16  -2.888  -6.210  -7.646
   99   3HG2  THR  16          3HG2      THR  16  -3.960  -4.881  -7.142
  100    H    ALA  17           H        ALA  17  -0.417  -3.111  -4.148
  101    HA   ALA  17           HA       ALA  17   2.072  -4.480  -4.269
  102   1HB   ALA  17          1HB       ALA  17   1.294  -2.301  -2.297
  103   2HB   ALA  17          2HB       ALA  17   2.923  -2.745  -2.823
  104   3HB   ALA  17          3HB       ALA  17   1.799  -2.006  -3.976
  105    H    CYS  18           H        CYS  18  -0.098  -4.044  -1.394
  106    HA   CYS  18           HA       CYS  18   1.513  -5.748   0.222
  107   2HB   CYS  18          2HB       CYS  18  -1.132  -6.004   1.188
  108    H    LYS  19           H        LYS  19  -1.054  -6.405  -2.099
  109    HA   LYS  19           HA       LYS  19  -1.384  -9.126  -1.393
  110   2HB   LYS  19          2HB       LYS  19  -2.276  -9.133  -3.827
  111   2HG   LYS  19          2HG       LYS  19  -3.566  -7.052  -2.488
  112   2HD   LYS  19          2HD       LYS  19  -5.079  -8.381  -3.704
  113   2HE   LYS  19          2HE       LYS  19  -3.723 -10.763  -2.345
  114   1HZ   LYS  19          1HZ       LYS  19  -6.356 -10.785  -3.662
  115   2HZ   LYS  19          2HZ       LYS  19  -5.491 -12.114  -3.223
  116   3HZ   LYS  19          3HZ       LYS  19  -6.054 -11.091  -2.066
  117    H    LYS  20           H        LYS  20   0.665  -7.511  -3.759
  118    HA   LYS  20           HA       LYS  20   1.968  -9.822  -4.814
  119   2HB   LYS  20          2HB       LYS  20   2.571  -6.860  -4.783
  120   2HG   LYS  20          2HG       LYS  20   4.187  -7.638  -6.745
  121   2HD   LYS  20          2HD       LYS  20   4.874  -7.373  -3.794
  122   2HE   LYS  20          2HE       LYS  20   6.698  -7.102  -6.229
  123   1HZ   LYS  20          1HZ       LYS  20   7.221  -5.566  -4.449
  124   2HZ   LYS  20          2HZ       LYS  20   7.279  -6.792  -3.352
  125   3HZ   LYS  20          3HZ       LYS  20   8.380  -6.724  -4.571
  126    H    VAL  21           H        VAL  21   2.756  -7.773  -1.849
  127    HA   VAL  21           HA       VAL  21   5.226  -9.051  -1.355
  128    HB   VAL  21           HB       VAL  21   3.123  -7.378   0.070
  129   1HG1  VAL  21          1HG1      VAL  21   4.841  -6.909   1.752
  130   2HG1  VAL  21          2HG1      VAL  21   4.036  -8.481   1.740
  131   3HG1  VAL  21          3HG1      VAL  21   5.717  -8.353   1.123
  132   1HG2  VAL  21          1HG2      VAL  21   4.548  -6.268  -1.773
  133   2HG2  VAL  21          2HG2      VAL  21   4.787  -5.563  -0.166
  134   3HG2  VAL  21          3HG2      VAL  21   5.976  -6.714  -0.821
  135    H    THR  22           H        THR  22   1.943  -9.183   0.255
  136    HA   THR  22           HA       THR  22   2.791 -11.674   1.452
  137    HB   THR  22           HB       THR  22   1.594  -9.108   2.413
  138    HG1  THR  22           HG1      THR  22   3.417 -11.010   3.473
  139   1HG2  THR  22          1HG2      THR  22   0.838 -10.163   4.485
  140   2HG2  THR  22          2HG2      THR  22  -0.114 -10.572   3.050
  141   3HG2  THR  22          3HG2      THR  22   1.027 -11.771   3.722
  142    H    GLY  23           H        GLY  23  -0.033  -9.823   0.237
  143   1HA   GLY  23          1HA       GLY  23  -1.751 -11.352  -0.963
  144   2HA   GLY  23          2HA       GLY  23  -1.803 -12.226   0.566
  145    H    SER  24           H        SER  24  -1.310  -9.451   1.878
  146    HA   SER  24           HA       SER  24  -4.069  -9.330   2.754
  147   2HB   SER  24          2HB       SER  24  -3.128  -7.932   4.559
  148    HG   SER  24           HG       SER  24  -2.800 -10.197   4.670
  149    H    GLY  25           H        GLY  25  -4.552  -8.492   0.450
  150   1HA   GLY  25          1HA       GLY  25  -3.589  -6.177  -0.597
  151   2HA   GLY  25          2HA       GLY  25  -5.148  -6.830  -1.007
  152    H    GLN  26           H        GLN  26  -5.506  -5.954   2.239
  153    HA   GLN  26           HA       GLN  26  -7.362  -3.856   1.306
  154   2HB   GLN  26          2HB       GLN  26  -8.380  -4.118   3.478
  155   2HG   GLN  26          2HG       GLN  26  -7.626  -6.876   2.395
  156   1HE2  GLN  26          1HE2      GLN  26 -10.296  -7.790   2.256
  157   2HE2  GLN  26          2HE2      GLN  26 -10.866  -7.964   3.907
  158    H    GLY  27           H        GLY  27  -6.313  -1.864   1.136
  159   1HA   GLY  27          1HA       GLY  27  -4.835  -0.806   3.457
  160   2HA   GLY  27          2HA       GLY  27  -3.904  -1.187   1.974
  161    H    LYS  28           H        LYS  28  -3.530   1.251   2.438
  162    HA   LYS  28           HA       LYS  28  -4.980   2.678   0.415
  163   2HB   LYS  28          2HB       LYS  28  -5.425   4.691   1.840
  164   2HG   LYS  28          2HG       LYS  28  -6.933   2.309   2.985
  165   2HD   LYS  28          2HD       LYS  28  -7.714   5.212   2.488
  166   2HE   LYS  28          2HE       LYS  28  -9.258   2.854   3.698
  167   1HZ   LYS  28          1HZ       LYS  28 -10.123   5.642   3.281
  168   2HZ   LYS  28          2HZ       LYS  28 -11.065   4.407   3.811
  169   3HZ   LYS  28          3HZ       LYS  28  -9.823   4.941   4.742
  170    H    CYS  29           H        CYS  29  -3.843   4.639  -0.199
  171    HA   CYS  29           HA       CYS  29  -0.938   4.280   0.350
  172   2HB   CYS  29          2HB       CYS  29  -1.854   4.754  -2.174
  173    H    GLN  30           H        GLN  30   0.303   6.256   0.819
  174    HA   GLN  30           HA       GLN  30  -1.187   8.528   1.986
  175   2HB   GLN  30          2HB       GLN  30   1.285   7.348   3.283
  176   2HG   GLN  30          2HG       GLN  30  -0.946   9.191   4.261
  177   1HE2  GLN  30          1HE2      GLN  30   0.439  10.503   6.224
  178   2HE2  GLN  30          2HE2      GLN  30   0.761   9.407   7.548
  179    H    ASN  31           H        ASN  31  -0.318  10.305   0.891
  180    HA   ASN  31           HA       ASN  31   1.222  11.708   0.039
  181   2HB   ASN  31          2HB       ASN  31   3.300   9.907   1.418
  182   1HD2  ASN  31          1HD2      ASN  31   2.649  13.421   1.480
  183   2HD2  ASN  31          2HD2      ASN  31   4.199  13.840   0.766
  184    H    ASN  32           H        ASN  32   3.332   8.972  -0.266
  185    HA   ASN  32           HA       ASN  32   2.643   7.921  -2.728
  186   2HB   ASN  32          2HB       ASN  32   4.846   8.353  -3.995
  187   1HD2  ASN  32          1HD2      ASN  32   2.425   8.800  -4.820
  188   2HD2  ASN  32          2HD2      ASN  32   1.983  10.496  -4.651
  189    H    GLN  33           H        GLN  33   2.681   6.969  -0.369
  190    HA   GLN  33           HA       GLN  33   4.759   4.943  -0.163
  191   2HB   GLN  33          2HB       GLN  33   4.635   5.295   2.343
  192   2HG   GLN  33          2HG       GLN  33   6.481   6.442   0.738
  193   1HE2  GLN  33          1HE2      GLN  33   6.202   8.364  -0.492
  194   2HE2  GLN  33          2HE2      GLN  33   5.830   9.940   0.240
  195    H    CYS  34           H        CYS  34   3.519   3.271   1.577
  196    HA   CYS  34           HA       CYS  34   0.621   3.556   1.316
  197   2HB   CYS  34          2HB       CYS  34   1.388   1.010   0.148
  198    H    ARG  35           H        ARG  35  -0.621   1.832   2.207
  199    HA   ARG  35           HA       ARG  35   0.815   0.354   4.347
  200   2HB   ARG  35          2HB       ARG  35  -0.852   1.298   5.975
  201   2HG   ARG  35          2HG       ARG  35   0.718   3.316   4.394
  202   2HD   ARG  35          2HD       ARG  35  -0.914   4.244   6.196
  203    HE   ARG  35           HE       ARG  35   0.694   2.633   7.628
  204   1HH1  ARG  35          1HH1      ARG  35   0.701   6.194   7.452
  205   2HH1  ARG  35          2HH1      ARG  35   1.286   6.428   9.067
  206   1HH2  ARG  35          1HH2      ARG  35   1.308   2.965   9.872
  207   2HH2  ARG  35          2HH2      ARG  35   1.701   4.551  10.461
  208    H    CYS  36           H        CYS  36  -0.256  -1.403   5.067
  209    HA   CYS  36           HA       CYS  36  -3.022  -1.917   4.047
  210   2HB   CYS  36          2HB       CYS  36  -1.492  -3.062   2.527
  211    H    TYR  37           H        TYR  37  -4.288  -3.212   5.318
  212    HA   TYR  37           HA       TYR  37  -4.022  -2.659   8.018
  213   2HB   TYR  37          2HB       TYR  37  -6.066  -3.279   6.503
  214    HD1  TYR  37           HD1      TYR  37  -7.146  -5.552   8.824
  215    HD2  TYR  37           HD2      TYR  37  -4.801  -5.486   5.201
  216    HE1  TYR  37           HE1      TYR  37  -7.759  -7.900   8.379
  217    HE2  TYR  37           HE2      TYR  37  -5.517  -7.806   4.709
  218    HH   TYR  37           HH       TYR  37  -7.604  -9.671   6.913
  Start of MODEL    8
    1   1H    PHE   1          1H        PHE   1  -2.649  -0.327   7.976
    2    HA   PHE   1           HA       PHE   1  -1.776   0.174  10.778
    3   2HB   PHE   1          2HB       PHE   1  -1.795  -2.592   9.558
    4    HD1  PHE   1           HD1      PHE   1   0.077  -2.982  11.278
    5    HD2  PHE   1           HD2      PHE   1  -3.897  -1.719  12.407
    6    HE1  PHE   1           HE1      PHE   1   0.464  -3.793  13.589
    7    HE2  PHE   1           HE2      PHE   1  -3.498  -2.537  14.710
    8    HZ   PHE   1           HZ       PHE   1  -1.323  -3.581  15.305
    9    H    GLY   2           H        GLY   2  -0.932  -1.290   7.737
   10   1HA   GLY   2          1HA       GLY   2   1.823  -1.860   8.011
   11   2HA   GLY   2          2HA       GLY   2   0.982  -1.532   6.527
   12    H    LEU   3           H        LEU   3   3.711  -0.688   7.107
   13    HA   LEU   3           HA       LEU   3   3.183   1.707   5.703
   14   2HB   LEU   3          2HB       LEU   3   3.460   2.770   7.903
   15    HG   LEU   3           HG       LEU   3   6.169   1.318   7.831
   16   1HD1  LEU   3          1HD1      LEU   3   6.850   2.889   9.665
   17   2HD1  LEU   3          2HD1      LEU   3   6.523   3.763   8.158
   18   3HD1  LEU   3          3HD1      LEU   3   5.334   3.798   9.480
   19   1HD2  LEU   3          1HD2      LEU   3   5.591   0.962  10.307
   20   2HD2  LEU   3          2HD2      LEU   3   3.972   1.616   9.997
   21   3HD2  LEU   3          3HD2      LEU   3   4.514   0.117   9.207
   22    H    ILE   4           H        ILE   4   4.295   1.639   3.886
   23    HA   ILE   4           HA       ILE   4   6.726  -0.047   3.756
   24    HB   ILE   4           HB       ILE   4   5.784  -1.009   1.830
   25   2HG1  ILE   4          2HG1      ILE   4   4.585   1.535   1.243
   26   1HG2  ILE   4          1HG2      ILE   4   4.569  -1.749   3.885
   27   2HG2  ILE   4          2HG2      ILE   4   3.289  -0.554   3.555
   28   3HG2  ILE   4          3HG2      ILE   4   3.599  -1.875   2.410
   29   1HD1  ILE   4          1HD1      ILE   4   5.780   0.025  -0.285
   30   2HD1  ILE   4          2HD1      ILE   4   4.426  -1.133  -0.170
   31   3HD1  ILE   4          3HD1      ILE   4   4.154   0.489  -0.863
   32    H    ASP   5           H        ASP   5   7.880   0.638   1.543
   33    HA   ASP   5           HA       ASP   5   7.502   3.552   1.032
   34   2HB   ASP   5          2HB       ASP   5  10.181   2.218   1.551
   35    H    VAL   6           H        VAL   6   6.243   2.466  -0.548
   36    HA   VAL   6           HA       VAL   6   7.887   2.507  -3.027
   37    HB   VAL   6           HB       VAL   6   5.580   0.560  -2.655
   38   1HG1  VAL   6          1HG1      VAL   6   5.568   1.450  -4.929
   39   2HG1  VAL   6          2HG1      VAL   6   7.319   1.165  -5.081
   40   3HG1  VAL   6          3HG1      VAL   6   6.189  -0.201  -4.939
   41   1HG2  VAL   6          1HG2      VAL   6   8.568   0.091  -3.098
   42   2HG2  VAL   6          2HG2      VAL   6   7.690  -0.255  -1.598
   43   3HG2  VAL   6          3HG2      VAL   6   7.319  -1.171  -3.062
   44    H    LYS   7           H        LYS   7   7.179   3.857  -4.489
   45    HA   LYS   7           HA       LYS   7   5.548   5.976  -4.059
   46   2HB   LYS   7          2HB       LYS   7   7.138   5.963  -5.786
   47   2HG   LYS   7          2HG       LYS   7   5.398   4.032  -7.382
   48   2HD   LYS   7          2HD       LYS   7   8.107   5.290  -7.958
   49   2HE   LYS   7          2HE       LYS   7   6.257   3.502  -9.627
   50   1HZ   LYS   7          1HZ       LYS   7   8.026   3.570 -11.223
   51   2HZ   LYS   7          2HZ       LYS   7   7.465   5.092 -10.963
   52   3HZ   LYS   7          3HZ       LYS   7   8.900   4.618 -10.306
   53    H    CYS   8           H        CYS   8   3.424   6.137  -3.555
   54    HA   CYS   8           HA       CYS   8   1.399   4.185  -4.531
   55   2HB   CYS   8          2HB       CYS   8   1.394   5.996  -2.473
   56    H    PHE   9           H        PHE   9   0.301   4.366  -6.425
   57    HA   PHE   9           HA       PHE   9   0.252   7.037  -7.789
   58   2HB   PHE   9          2HB       PHE   9  -0.834   4.474  -8.989
   59    HD1  PHE   9           HD1      PHE   9  -2.329   5.896 -10.405
   60    HD2  PHE   9           HD2      PHE   9   1.923   6.601 -10.256
   61    HE1  PHE   9           HE1      PHE   9  -2.482   7.284 -12.453
   62    HE2  PHE   9           HE2      PHE   9   1.764   7.987 -12.304
   63    HZ   PHE   9           HZ       PHE   9  -0.437   8.327 -13.412
   64    H    ALA  10           H        ALA  10  -1.366   5.148  -5.518
   65    HA   ALA  10           HA       ALA  10  -3.669   6.596  -5.217
   66   1HB   ALA  10          1HB       ALA  10  -5.387   4.974  -6.123
   67   2HB   ALA  10          2HB       ALA  10  -4.521   5.804  -7.412
   68   3HB   ALA  10          3HB       ALA  10  -4.091   4.133  -6.993
   69    H    SER  11           H        SER  11  -5.107   5.344  -3.667
   70    HA   SER  11           HA       SER  11  -3.661   3.590  -1.837
   71   2HB   SER  11          2HB       SER  11  -6.105   3.196  -1.046
   72    HG   SER  11           HG       SER  11  -5.194   5.900  -1.315
   73    H    SER  12           H        SER  12  -5.768   2.958  -4.695
   74    HA   SER  12           HA       SER  12  -6.236   0.256  -4.072
   75   2HB   SER  12          2HB       SER  12  -7.633   1.122  -5.717
   76    HG   SER  12           HG       SER  12  -6.766   2.468  -7.415
   77    H    GLU  13           H        GLU  13  -3.580   1.912  -5.699
   78    HA   GLU  13           HA       GLU  13  -1.963  -0.078  -6.717
   79   2HB   GLU  13          2HB       GLU  13  -1.023   1.923  -4.738
   80   2HG   GLU  13          2HG       GLU  13   0.795   2.388  -6.510
   81    H    CYS  14           H        CYS  14  -2.115   0.994  -3.266
   82    HA   CYS  14           HA       CYS  14  -0.152  -0.549  -2.149
   83   2HB   CYS  14          2HB       CYS  14  -1.172   0.020  -0.097
   84    H    TRP  15           H        TRP  15  -3.388  -1.219  -3.103
   85    HA   TRP  15           HA       TRP  15  -3.837  -3.532  -1.324
   86   2HB   TRP  15          2HB       TRP  15  -5.722  -4.060  -2.765
   87    HD1  TRP  15           HD1      TRP  15  -4.838  -1.262  -0.726
   88    HE1  TRP  15           HE1      TRP  15  -6.829   0.207  -0.103
   89    HE3  TRP  15           HE3      TRP  15  -8.163  -2.994  -4.174
   90    HZ2  TRP  15           HZ2      TRP  15  -9.550   0.621  -1.043
   91    HZ3  TRP  15           HZ3      TRP  15 -10.442  -2.023  -4.325
   92    HH2  TRP  15           HH2      TRP  15 -11.148  -0.227  -2.760
   93    H    THR  16           H        THR  16  -3.320  -3.206  -4.891
   94    HA   THR  16           HA       THR  16  -2.555  -5.888  -5.365
   95    HB   THR  16           HB       THR  16  -1.237  -4.478  -7.287
   96    HG1  THR  16           HG1      THR  16  -1.813  -2.467  -6.256
   97   1HG2  THR  16          1HG2      THR  16  -4.262  -4.848  -7.071
   98   2HG2  THR  16          2HG2      THR  16  -3.358  -4.559  -8.573
   99   3HG2  THR  16          3HG2      THR  16  -3.103  -6.064  -7.668
  100    H    ALA  17           H        ALA  17  -0.617  -3.081  -4.124
  101    HA   ALA  17           HA       ALA  17   1.863  -4.368  -4.530
  102   1HB   ALA  17          1HB       ALA  17   2.786  -2.723  -2.984
  103   2HB   ALA  17          2HB       ALA  17   1.581  -1.930  -4.011
  104   3HB   ALA  17          3HB       ALA  17   1.183  -2.358  -2.334
  105    H    CYS  18           H        CYS  18  -0.080  -4.204  -1.483
  106    HA   CYS  18           HA       CYS  18   1.639  -5.988  -0.113
  107   2HB   CYS  18          2HB       CYS  18  -0.914  -6.467   0.918
  108    H    LYS  19           H        LYS  19  -1.093  -6.534  -2.316
  109    HA   LYS  19           HA       LYS  19  -1.369  -9.267  -1.790
  110   2HB   LYS  19          2HB       LYS  19  -2.393  -9.166  -4.162
  111   2HG   LYS  19          2HG       LYS  19  -3.729  -7.230  -2.657
  112   2HD   LYS  19          2HD       LYS  19  -5.326  -9.162  -2.169
  113   2HE   LYS  19          2HE       LYS  19  -4.512  -8.872  -5.111
  114   1HZ   LYS  19          1HZ       LYS  19  -6.032 -10.693  -4.740
  115   2HZ   LYS  19          2HZ       LYS  19  -7.081  -9.710  -3.943
  116   3HZ   LYS  19          3HZ       LYS  19  -6.777  -9.466  -5.538
  117    H    LYS  20           H        LYS  20   0.588  -7.586  -4.166
  118    HA   LYS  20           HA       LYS  20   1.723  -9.839  -5.464
  119   2HB   LYS  20          2HB       LYS  20   3.733  -8.238  -5.864
  120   2HG   LYS  20          2HG       LYS  20   2.346  -6.629  -7.264
  121   2HD   LYS  20          2HD       LYS  20   1.316  -8.268  -8.788
  122   2HE   LYS  20          2HE       LYS  20   4.043  -9.255  -7.794
  123   1HZ   LYS  20          1HZ       LYS  20   2.800  -9.431 -10.452
  124   2HZ   LYS  20          2HZ       LYS  20   4.332  -9.883 -10.061
  125   3HZ   LYS  20          3HZ       LYS  20   3.052 -10.690  -9.415
  126    H    VAL  21           H        VAL  21   3.119  -8.066  -2.599
  127    HA   VAL  21           HA       VAL  21   5.172 -10.017  -2.317
  128    HB   VAL  21           HB       VAL  21   4.753  -8.905   0.213
  129   1HG1  VAL  21          1HG1      VAL  21   6.927  -9.217  -0.989
  130   2HG1  VAL  21          2HG1      VAL  21   6.438  -7.932  -2.127
  131   3HG1  VAL  21          3HG1      VAL  21   6.773  -7.541  -0.420
  132   1HG2  VAL  21          1HG2      VAL  21   4.573  -6.542  -0.017
  133   2HG2  VAL  21          2HG2      VAL  21   4.384  -6.660  -1.773
  134   3HG2  VAL  21          3HG2      VAL  21   3.140  -7.331  -0.680
  135    H    THR  22           H        THR  22   2.243  -9.562  -0.200
  136    HA   THR  22           HA       THR  22   2.785 -12.317   0.854
  137    HB   THR  22           HB       THR  22   1.400 -11.579   2.744
  138    HG1  THR  22           HG1      THR  22   0.579  -9.599   2.847
  139   1HG2  THR  22          1HG2      THR  22   3.667  -9.615   2.185
  140   2HG2  THR  22          2HG2      THR  22   3.014 -10.065   3.768
  141   3HG2  THR  22          3HG2      THR  22   3.881 -11.269   2.795
  142    H    GLY  23           H        GLY  23   0.242 -10.141  -0.206
  143   1HA   GLY  23          1HA       GLY  23  -1.799 -11.364  -1.386
  144   2HA   GLY  23          2HA       GLY  23  -1.753 -12.388   0.033
  145    H    SER  24           H        SER  24  -0.800  -9.611   1.410
  146    HA   SER  24           HA       SER  24  -3.309  -9.512   2.804
  147   2HB   SER  24          2HB       SER  24  -2.146  -8.070   4.354
  148    HG   SER  24           HG       SER  24  -0.628  -9.518   4.884
  149    H    GLY  25           H        GLY  25  -4.297  -8.743   0.583
  150   1HA   GLY  25          1HA       GLY  25  -3.523  -6.456  -0.680
  151   2HA   GLY  25          2HA       GLY  25  -5.042  -7.280  -0.899
  152    H    GLN  26           H        GLN  26  -4.619  -5.625   2.197
  153    HA   GLN  26           HA       GLN  26  -6.886  -3.867   1.427
  154   2HB   GLN  26          2HB       GLN  26  -7.737  -4.246   3.592
  155   2HG   GLN  26          2HG       GLN  26  -6.695  -6.924   2.591
  156   1HE2  GLN  26          1HE2      GLN  26 -10.013  -5.738   3.289
  157   2HE2  GLN  26          2HE2      GLN  26 -10.286  -6.892   4.583
  158    H    GLY  27           H        GLY  27  -6.314  -1.631   1.646
  159   1HA   GLY  27          1HA       GLY  27  -4.688  -0.659   3.794
  160   2HA   GLY  27          2HA       GLY  27  -3.720  -0.908   2.310
  161    H    LYS  28           H        LYS  28  -3.502   1.513   2.805
  162    HA   LYS  28           HA       LYS  28  -4.878   2.771   0.619
  163   2HB   LYS  28          2HB       LYS  28  -5.152   4.932   2.011
  164   2HG   LYS  28          2HG       LYS  28  -7.112   2.755   2.815
  165   2HD   LYS  28          2HD       LYS  28  -7.283   5.767   2.334
  166   2HE   LYS  28          2HE       LYS  28  -9.496   3.774   3.037
  167   1HZ   LYS  28          1HZ       LYS  28  -9.824   5.932   4.049
  168   2HZ   LYS  28          2HZ       LYS  28  -9.620   6.691   2.601
  169   3HZ   LYS  28          3HZ       LYS  28 -10.910   5.699   2.835
  170    H    CYS  29           H        CYS  29  -3.758   4.770  -0.023
  171    HA   CYS  29           HA       CYS  29  -0.868   4.322   0.426
  172   2HB   CYS  29          2HB       CYS  29  -1.764   4.744  -2.054
  173    H    GLN  30           H        GLN  30   0.449   5.891   1.283
  174    HA   GLN  30           HA       GLN  30  -0.785   8.239   2.668
  175   2HB   GLN  30          2HB       GLN  30   1.961   7.052   3.155
  176   2HG   GLN  30          2HG       GLN  30   1.168   9.350   4.123
  177   1HE2  GLN  30          1HE2      GLN  30  -1.078   9.799   4.631
  178   2HE2  GLN  30          2HE2      GLN  30  -1.857   9.131   6.050
  179    H    ASN  31           H        ASN  31  -0.681   9.678   0.822
  180    HA   ASN  31           HA       ASN  31   0.352  11.306  -0.379
  181   2HB   ASN  31          2HB       ASN  31   2.703  11.900   0.330
  182   1HD2  ASN  31          1HD2      ASN  31   3.155  12.121   3.075
  183   2HD2  ASN  31          2HD2      ASN  31   1.762  12.899   3.800
  184    H    ASN  32           H        ASN  32   3.075   9.060  -0.223
  185    HA   ASN  32           HA       ASN  32   2.727   7.912  -2.678
  186   2HB   ASN  32          2HB       ASN  32   5.435   9.144  -2.981
  187   1HD2  ASN  32          1HD2      ASN  32   2.099   9.844  -3.978
  188   2HD2  ASN  32          2HD2      ASN  32   2.127   8.680  -5.217
  189    H    GLN  33           H        GLN  33   2.814   7.101  -0.109
  190    HA   GLN  33           HA       GLN  33   4.728   4.939  -0.367
  191   2HB   GLN  33          2HB       GLN  33   4.925   5.003   2.173
  192   2HG   GLN  33          2HG       GLN  33   6.026   7.513   0.836
  193   1HE2  GLN  33          1HE2      GLN  33   8.626   6.094   1.935
  194   2HE2  GLN  33          2HE2      GLN  33   8.670   6.697   3.594
  195    H    CYS  34           H        CYS  34   3.574   3.249   1.537
  196    HA   CYS  34           HA       CYS  34   0.677   3.483   1.269
  197   2HB   CYS  34          2HB       CYS  34   1.466   0.942   0.191
  198    H    ARG  35           H        ARG  35  -0.554   1.945   2.316
  199    HA   ARG  35           HA       ARG  35   0.842   0.775   4.673
  200   2HB   ARG  35          2HB       ARG  35  -0.783   1.980   6.096
  201   2HG   ARG  35          2HG       ARG  35   0.714   3.733   4.181
  202   2HD   ARG  35          2HD       ARG  35  -0.561   4.945   5.991
  203    HE   ARG  35           HE       ARG  35   0.762   2.898   7.378
  204   1HH1  ARG  35          1HH1      ARG  35   0.069   6.342   7.819
  205   2HH1  ARG  35          2HH1      ARG  35   0.028   6.295   9.557
  206   1HH2  ARG  35          1HH2      ARG  35   0.697   2.764   9.680
  207   2HH2  ARG  35          2HH2      ARG  35   0.418   4.168  10.672
  208    H    CYS  36           H        CYS  36   0.252  -1.182   4.707
  209    HA   CYS  36           HA       CYS  36  -2.381  -2.065   3.732
  210   2HB   CYS  36          2HB       CYS  36  -1.531  -4.128   3.598
  211    H    TYR  37           H        TYR  37  -2.384  -4.444   5.456
  212    HA   TYR  37           HA       TYR  37  -3.294  -3.247   8.014
  213   2HB   TYR  37          2HB       TYR  37  -5.030  -3.880   6.058
  214    HD1  TYR  37           HD1      TYR  37  -4.122  -6.031   4.844
  215    HD2  TYR  37           HD2      TYR  37  -5.976  -6.088   8.738
  216    HE1  TYR  37           HE1      TYR  37  -4.672  -8.434   4.557
  217    HE2  TYR  37           HE2      TYR  37  -6.434  -8.509   8.480
  218    HH   TYR  37           HH       TYR  37  -5.699 -10.287   5.484
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1  -1.022  -0.771   8.500
    2    HA   PHE   1           HA       PHE   1   0.211  -1.300  11.147
    3   2HB   PHE   1          2HB       PHE   1  -1.165  -3.388   9.410
    4    HD1  PHE   1           HD1      PHE   1  -1.923  -3.241  12.935
    5    HD2  PHE   1           HD2      PHE   1   1.050  -4.725  10.171
    6    HE1  PHE   1           HE1      PHE   1  -1.013  -4.718  14.698
    7    HE2  PHE   1           HE2      PHE   1   1.990  -6.147  11.964
    8    HZ   PHE   1           HZ       PHE   1   0.961  -6.153  14.228
    9    H    GLY   2           H        GLY   2  -0.017  -2.586   7.918
   10   1HA   GLY   2          1HA       GLY   2   2.818  -2.974   7.280
   11   2HA   GLY   2          2HA       GLY   2   1.451  -2.857   6.191
   12    H    LEU   3           H        LEU   3   4.230  -1.165   6.976
   13    HA   LEU   3           HA       LEU   3   3.075   1.106   5.619
   14   2HB   LEU   3          2HB       LEU   3   3.057   1.805   8.049
   15    HG   LEU   3           HG       LEU   3   6.087   1.386   7.761
   16   1HD1  LEU   3          1HD1      LEU   3   4.524   3.120   9.788
   17   2HD1  LEU   3          2HD1      LEU   3   6.263   2.757   9.847
   18   3HD1  LEU   3          3HD1      LEU   3   5.607   3.710   8.506
   19   1HD2  LEU   3          1HD2      LEU   3   5.773   0.422  10.103
   20   2HD2  LEU   3          2HD2      LEU   3   4.014   0.564   9.914
   21   3HD2  LEU   3          3HD2      LEU   3   4.953  -0.519   8.863
   22    H    ILE   4           H        ILE   4   4.134   1.612   3.859
   23    HA   ILE   4           HA       ILE   4   6.773   0.433   3.476
   24    HB   ILE   4           HB       ILE   4   5.765  -0.927   1.869
   25   2HG1  ILE   4          2HG1      ILE   4   4.137   1.264   1.086
   26   1HG2  ILE   4          1HG2      ILE   4   3.736  -1.995   2.716
   27   2HG2  ILE   4          2HG2      ILE   4   4.823  -1.659   4.063
   28   3HG2  ILE   4          3HG2      ILE   4   3.383  -0.631   3.792
   29   1HD1  ILE   4          1HD1      ILE   4   4.208  -1.655   0.264
   30   2HD1  ILE   4          2HD1      ILE   4   3.457  -0.334  -0.660
   31   3HD1  ILE   4          3HD1      ILE   4   5.232  -0.346  -0.396
   32    H    ASP   5           H        ASP   5   7.702   1.301   1.487
   33    HA   ASP   5           HA       ASP   5   6.920   4.164   1.051
   34   2HB   ASP   5          2HB       ASP   5   9.429   4.406   0.711
   35    H    VAL   6           H        VAL   6   5.865   1.969  -0.571
   36    HA   VAL   6           HA       VAL   6   7.332   2.353  -3.099
   37    HB   VAL   6           HB       VAL   6   6.055   0.220  -2.490
   38   1HG1  VAL   6          1HG1      VAL   6   3.847   1.423  -2.012
   39   2HG1  VAL   6          2HG1      VAL   6   3.721   1.729  -3.752
   40   3HG1  VAL   6          3HG1      VAL   6   3.751   0.066  -3.155
   41   1HG2  VAL   6          1HG2      VAL   6   5.590  -0.187  -4.873
   42   2HG2  VAL   6          2HG2      VAL   6   5.742   1.554  -5.205
   43   3HG2  VAL   6          3HG2      VAL   6   7.146   0.624  -4.630
   44    H    LYS   7           H        LYS   7   7.077   4.080  -4.286
   45    HA   LYS   7           HA       LYS   7   5.570   6.320  -3.983
   46   2HB   LYS   7          2HB       LYS   7   7.302   6.274  -5.555
   47   2HG   LYS   7          2HG       LYS   7   5.749   4.301  -7.295
   48   2HD   LYS   7          2HD       LYS   7   8.469   5.636  -7.584
   49   2HE   LYS   7          2HE       LYS   7   6.940   3.743  -9.447
   50   1HZ   LYS   7          1HZ       LYS   7   8.316   5.344 -10.609
   51   2HZ   LYS   7          2HZ       LYS   7   9.637   4.907  -9.724
   52   3HZ   LYS   7          3HZ       LYS   7   8.937   3.827 -10.748
   53    H    CYS   8           H        CYS   8   3.406   6.271  -3.402
   54    HA   CYS   8           HA       CYS   8   1.472   4.450  -4.624
   55   2HB   CYS   8          2HB       CYS   8   1.303   5.940  -2.485
   56    H    PHE   9           H        PHE   9   0.531   4.612  -6.649
   57    HA   PHE   9           HA       PHE   9   0.206   7.385  -7.764
   58   2HB   PHE   9          2HB       PHE   9  -0.641   6.202  -9.781
   59    HD1  PHE   9           HD1      PHE   9   1.978   3.758  -9.056
   60    HD2  PHE   9           HD2      PHE   9   1.257   7.837 -10.258
   61    HE1  PHE   9           HE1      PHE   9   4.253   3.881  -9.970
   62    HE2  PHE   9           HE2      PHE   9   3.559   7.969 -11.168
   63    HZ   PHE   9           HZ       PHE   9   5.058   5.989 -11.056
   64    H    ALA  10           H        ALA  10  -1.302   5.188  -5.671
   65    HA   ALA  10           HA       ALA  10  -3.675   6.564  -5.316
   66   1HB   ALA  10          1HB       ALA  10  -5.307   4.904  -6.322
   67   2HB   ALA  10          2HB       ALA  10  -4.453   5.833  -7.552
   68   3HB   ALA  10          3HB       ALA  10  -3.954   4.164  -7.201
   69    H    SER  11           H        SER  11  -5.134   5.161  -3.873
   70    HA   SER  11           HA       SER  11  -3.620   3.522  -2.016
   71   2HB   SER  11          2HB       SER  11  -6.006   2.904  -1.263
   72    HG   SER  11           HG       SER  11  -5.300   5.662  -1.534
   73    H    SER  12           H        SER  12  -5.529   2.689  -4.962
   74    HA   SER  12           HA       SER  12  -5.768  -0.037  -4.350
   75   2HB   SER  12          2HB       SER  12  -7.151   0.783  -6.035
   76    HG   SER  12           HG       SER  12  -5.045   1.828  -7.572
   77    H    GLU  13           H        GLU  13  -3.096   1.824  -5.660
   78    HA   GLU  13           HA       GLU  13  -1.260  -0.026  -6.607
   79   2HB   GLU  13          2HB       GLU  13  -0.775   2.009  -4.453
   80   2HG   GLU  13          2HG       GLU  13   1.221   0.666  -5.431
   81    H    CYS  14           H        CYS  14  -2.021   0.872  -3.226
   82    HA   CYS  14           HA       CYS  14   0.022  -0.550  -1.902
   83   2HB   CYS  14          2HB       CYS  14  -1.103   0.205   0.021
   84    H    TRP  15           H        TRP  15  -3.195  -1.115  -3.038
   85    HA   TRP  15           HA       TRP  15  -3.780  -3.439  -1.326
   86   2HB   TRP  15          2HB       TRP  15  -5.542  -3.950  -2.927
   87    HD1  TRP  15           HD1      TRP  15  -4.784  -1.133  -0.799
   88    HE1  TRP  15           HE1      TRP  15  -6.816   0.258  -0.247
   89    HE3  TRP  15           HE3      TRP  15  -7.917  -3.016  -4.313
   90    HZ2  TRP  15           HZ2      TRP  15  -9.530   0.627  -1.327
   91    HZ3  TRP  15           HZ3      TRP  15 -10.194  -2.051  -4.639
   92    HH2  TRP  15           HH2      TRP  15 -11.018  -0.261  -3.122
   93    H    THR  16           H        THR  16  -3.004  -3.101  -4.868
   94    HA   THR  16           HA       THR  16  -2.321  -5.819  -5.255
   95    HB   THR  16           HB       THR  16  -1.033  -4.693  -7.219
   96    HG1  THR  16           HG1      THR  16  -1.035  -2.566  -6.038
   97   1HG2  THR  16          1HG2      THR  16  -4.004  -4.088  -6.839
   98   2HG2  THR  16          2HG2      THR  16  -3.148  -4.186  -8.384
   99   3HG2  THR  16          3HG2      THR  16  -3.350  -5.643  -7.396
  100    H    ALA  17           H        ALA  17  -0.354  -3.119  -3.923
  101    HA   ALA  17           HA       ALA  17   2.129  -4.530  -4.096
  102   1HB   ALA  17          1HB       ALA  17   1.298  -2.413  -2.067
  103   2HB   ALA  17          2HB       ALA  17   2.950  -2.905  -2.468
  104   3HB   ALA  17          3HB       ALA  17   1.958  -2.077  -3.683
  105    H    CYS  18           H        CYS  18  -0.213  -4.198  -1.367
  106    HA   CYS  18           HA       CYS  18   1.244  -5.934   0.353
  107   2HB   CYS  18          2HB       CYS  18  -1.714  -5.935   0.642
  108    H    LYS  19           H        LYS  19  -1.126  -6.497  -2.226
  109    HA   LYS  19           HA       LYS  19  -1.589  -9.243  -1.659
  110   2HB   LYS  19          2HB       LYS  19  -2.196  -9.184  -4.153
  111   2HG   LYS  19          2HG       LYS  19  -3.427  -7.000  -2.678
  112   2HD   LYS  19          2HD       LYS  19  -4.371  -7.722  -4.899
  113   2HE   LYS  19          2HE       LYS  19  -4.060 -10.203  -4.729
  114   1HZ   LYS  19          1HZ       LYS  19  -6.198 -10.097  -2.696
  115   2HZ   LYS  19          2HZ       LYS  19  -5.554 -11.449  -3.360
  116   3HZ   LYS  19          3HZ       LYS  19  -4.644 -10.523  -2.367
  117    H    LYS  20           H        LYS  20   0.537  -7.599  -3.934
  118    HA   LYS  20           HA       LYS  20   1.909  -9.842  -4.978
  119   2HB   LYS  20          2HB       LYS  20   3.801  -8.150  -5.395
  120   2HG   LYS  20          2HG       LYS  20   0.948  -7.916  -6.373
  121   2HD   LYS  20          2HD       LYS  20   1.773  -5.664  -6.762
  122   2HE   LYS  20          2HE       LYS  20   3.676  -5.446  -8.496
  123   1HZ   LYS  20          1HZ       LYS  20   5.374  -5.397  -6.831
  124   2HZ   LYS  20          2HZ       LYS  20   3.990  -4.728  -6.252
  125   3HZ   LYS  20          3HZ       LYS  20   4.440  -6.235  -5.771
  126    H    VAL  21           H        VAL  21   2.716  -7.999  -1.853
  127    HA   VAL  21           HA       VAL  21   4.968  -9.614  -1.340
  128    HB   VAL  21           HB       VAL  21   3.119  -7.665   0.117
  129   1HG1  VAL  21          1HG1      VAL  21   4.155  -9.073   1.680
  130   2HG1  VAL  21          2HG1      VAL  21   5.755  -8.810   0.933
  131   3HG1  VAL  21          3HG1      VAL  21   4.882  -7.452   1.732
  132   1HG2  VAL  21          1HG2      VAL  21   4.521  -6.699  -1.797
  133   2HG2  VAL  21          2HG2      VAL  21   4.979  -6.073  -0.206
  134   3HG2  VAL  21          3HG2      VAL  21   5.958  -7.338  -0.982
  135    H    THR  22           H        THR  22   1.734  -9.275   0.254
  136    HA   THR  22           HA       THR  22   2.288 -11.781   1.634
  137    HB   THR  22           HB       THR  22   0.571 -11.218   3.193
  138    HG1  THR  22           HG1      THR  22   0.042  -8.916   1.628
  139   1HG2  THR  22          1HG2      THR  22   2.807 -10.117   3.460
  140   2HG2  THR  22          2HG2      THR  22   2.140  -8.664   2.663
  141   3HG2  THR  22          3HG2      THR  22   1.463  -9.226   4.198
  142    H    GLY  23           H        GLY  23  -0.279 -10.236  -0.233
  143   1HA   GLY  23          1HA       GLY  23  -1.709 -11.687  -1.768
  144   2HA   GLY  23          2HA       GLY  23  -1.872 -12.782  -0.393
  145    H    SER  24           H        SER  24  -1.822 -10.318   1.433
  146    HA   SER  24           HA       SER  24  -4.756 -10.366   1.623
  147   2HB   SER  24          2HB       SER  24  -2.950  -9.233   3.761
  148    HG   SER  24           HG       SER  24  -5.165 -11.039   3.800
  149    H    GLY  25           H        GLY  25  -5.126  -8.944  -0.067
  150   1HA   GLY  25          1HA       GLY  25  -3.603  -6.733  -0.648
  151   2HA   GLY  25          2HA       GLY  25  -5.190  -7.122  -1.324
  152    H    GLN  26           H        GLN  26  -4.812  -6.014   2.074
  153    HA   GLN  26           HA       GLN  26  -6.790  -3.907   1.353
  154   2HB   GLN  26          2HB       GLN  26  -7.636  -4.210   3.554
  155   2HG   GLN  26          2HG       GLN  26  -7.032  -6.970   2.404
  156   1HE2  GLN  26          1HE2      GLN  26  -9.741  -7.786   2.325
  157   2HE2  GLN  26          2HE2      GLN  26 -10.288  -7.916   3.985
  158    H    GLY  27           H        GLY  27  -5.969  -1.823   1.409
  159   1HA   GLY  27          1HA       GLY  27  -4.500  -0.821   3.661
  160   2HA   GLY  27          2HA       GLY  27  -3.450  -1.079   2.230
  161    H    LYS  28           H        LYS  28  -3.302   1.391   2.641
  162    HA   LYS  28           HA       LYS  28  -4.767   2.597   0.460
  163   2HB   LYS  28          2HB       LYS  28  -5.303   4.668   1.776
  164   2HG   LYS  28          2HG       LYS  28  -6.795   2.329   3.011
  165   2HD   LYS  28          2HD       LYS  28  -7.298   4.703   3.763
  166   2HE   LYS  28          2HE       LYS  28  -8.459   4.846   0.922
  167   1HZ   LYS  28          1HZ       LYS  28  -8.617   6.819   3.105
  168   2HZ   LYS  28          2HZ       LYS  28  -9.182   7.018   1.574
  169   3HZ   LYS  28          3HZ       LYS  28  -9.873   5.899   2.561
  170    H    CYS  29           H        CYS  29  -3.791   4.618  -0.206
  171    HA   CYS  29           HA       CYS  29  -0.872   4.450   0.315
  172   2HB   CYS  29          2HB       CYS  29  -1.774   4.756  -2.210
  173    H    GLN  30           H        GLN  30   0.250   6.578   0.677
  174    HA   GLN  30           HA       GLN  30  -1.420   8.853   1.544
  175   2HB   GLN  30          2HB       GLN  30   0.812   7.615   3.194
  176   2HG   GLN  30          2HG       GLN  30  -0.647  10.279   3.331
  177   1HE2  GLN  30          1HE2      GLN  30  -2.163   9.631   5.057
  178   2HE2  GLN  30          2HE2      GLN  30  -1.580   9.638   6.706
  179    H    ASN  31           H        ASN  31  -0.591  10.546   0.381
  180    HA   ASN  31           HA       ASN  31   0.866  11.994  -0.561
  181   2HB   ASN  31          2HB       ASN  31   3.295  11.860   0.424
  182   1HD2  ASN  31          1HD2      ASN  31   2.893  14.058   0.820
  183   2HD2  ASN  31          2HD2      ASN  31   1.846  14.596   2.118
  184    H    ASN  32           H        ASN  32   3.029   9.262  -0.258
  185    HA   ASN  32           HA       ASN  32   2.832   8.139  -2.664
  186   2HB   ASN  32          2HB       ASN  32   5.612   9.147  -2.993
  187   1HD2  ASN  32          1HD2      ASN  32   2.371  10.161  -4.080
  188   2HD2  ASN  32          2HD2      ASN  32   2.302   8.955  -5.277
  189    H    GLN  33           H        GLN  33   2.694   7.324  -0.187
  190    HA   GLN  33           HA       GLN  33   4.715   5.235  -0.103
  191   2HB   GLN  33          2HB       GLN  33   4.334   5.314   2.481
  192   2HG   GLN  33          2HG       GLN  33   5.591   7.919   1.601
  193   1HE2  GLN  33          1HE2      GLN  33   7.716   6.539   3.593
  194   2HE2  GLN  33          2HE2      GLN  33   7.099   7.068   5.148
  195    H    CYS  34           H        CYS  34   3.476   3.461   1.547
  196    HA   CYS  34           HA       CYS  34   0.594   3.712   1.383
  197   2HB   CYS  34          2HB       CYS  34   1.257   1.130   0.320
  198    H    ARG  35           H        ARG  35  -0.538   2.021   2.458
  199    HA   ARG  35           HA       ARG  35   1.103   0.642   4.486
  200   2HB   ARG  35          2HB       ARG  35  -0.726   1.775   6.116
  201   2HG   ARG  35          2HG       ARG  35   1.706   3.103   4.927
  202   2HD   ARG  35          2HD       ARG  35   0.943   4.086   7.569
  203    HE   ARG  35           HE       ARG  35   2.376   4.940   5.282
  204   1HH1  ARG  35          1HH1      ARG  35   0.104   6.392   7.569
  205   2HH1  ARG  35          2HH1      ARG  35   0.601   8.035   7.173
  206   1HH2  ARG  35          1HH2      ARG  35   3.304   7.199   5.120
  207   2HH2  ARG  35          2HH2      ARG  35   2.285   8.441   5.804
  208    H    CYS  36           H        CYS  36   0.252  -1.382   5.031
  209    HA   CYS  36           HA       CYS  36  -2.573  -1.878   4.230
  210   2HB   CYS  36          2HB       CYS  36  -1.826  -3.361   2.982
  211    H    TYR  37           H        TYR  37  -3.594  -3.537   5.469
  212    HA   TYR  37           HA       TYR  37  -3.798  -2.586   8.198
  213   2HB   TYR  37          2HB       TYR  37  -5.653  -3.245   6.444
  214    HD1  TYR  37           HD1      TYR  37  -6.972  -5.553   8.608
  215    HD2  TYR  37           HD2      TYR  37  -4.135  -5.444   5.349
  216    HE1  TYR  37           HE1      TYR  37  -7.336  -7.967   8.182
  217    HE2  TYR  37           HE2      TYR  37  -4.564  -7.795   4.890
  218    HH   TYR  37           HH       TYR  37  -5.653  -9.685   5.531
  Start of MODEL   10
    1   1H    PHE   1          1H        PHE   1   1.115  -1.349  11.254
    2    HA   PHE   1           HA       PHE   1   0.402  -3.834  10.696
    3   2HB   PHE   1          2HB       PHE   1  -1.425  -3.698   8.961
    4    HD1  PHE   1           HD1      PHE   1  -1.406  -5.356  11.097
    5    HD2  PHE   1           HD2      PHE   1  -3.539  -1.621  10.727
    6    HE1  PHE   1           HE1      PHE   1  -3.115  -6.168  12.691
    7    HE2  PHE   1           HE2      PHE   1  -5.267  -2.463  12.290
    8    HZ   PHE   1           HZ       PHE   1  -5.054  -4.734  13.282
    9    H    GLY   2           H        GLY   2  -0.128  -3.113   7.631
   10   1HA   GLY   2          1HA       GLY   2   2.554  -3.155   6.732
   11   2HA   GLY   2          2HA       GLY   2   1.106  -2.800   5.827
   12    H    LEU   3           H        LEU   3   4.015  -1.408   6.776
   13    HA   LEU   3           HA       LEU   3   2.982   0.924   5.487
   14   2HB   LEU   3          2HB       LEU   3   2.919   1.660   7.872
   15    HG   LEU   3           HG       LEU   3   5.934   1.015   7.751
   16   1HD1  LEU   3          1HD1      LEU   3   4.516   2.949   9.687
   17   2HD1  LEU   3          2HD1      LEU   3   6.222   2.469   9.710
   18   3HD1  LEU   3          3HD1      LEU   3   5.604   3.424   8.358
   19   1HD2  LEU   3          1HD2      LEU   3   5.450   0.202  10.103
   20   2HD2  LEU   3          2HD2      LEU   3   3.720   0.505   9.857
   21   3HD2  LEU   3          3HD2      LEU   3   4.572  -0.711   8.880
   22    H    ILE   4           H        ILE   4   4.167   1.529   3.825
   23    HA   ILE   4           HA       ILE   4   6.783   0.193   3.509
   24    HB   ILE   4           HB       ILE   4   5.869  -0.784   1.586
   25   2HG1  ILE   4          2HG1      ILE   4   4.400   1.615   1.110
   26   1HG2  ILE   4          1HG2      ILE   4   3.796  -1.907   2.153
   27   2HG2  ILE   4          2HG2      ILE   4   4.790  -1.779   3.606
   28   3HG2  ILE   4          3HG2      ILE   4   3.387  -0.697   3.386
   29   1HD1  ILE   4          1HD1      ILE   4   4.358  -1.051  -0.314
   30   2HD1  ILE   4          2HD1      ILE   4   3.950   0.548  -0.992
   31   3HD1  ILE   4          3HD1      ILE   4   5.628   0.189  -0.496
   32    H    ASP   5           H        ASP   5   7.904   1.175   1.556
   33    HA   ASP   5           HA       ASP   5   6.889   3.863   0.806
   34   2HB   ASP   5          2HB       ASP   5   9.797   3.296   1.433
   35    H    VAL   6           H        VAL   6   5.915   2.667  -0.728
   36    HA   VAL   6           HA       VAL   6   7.669   2.760  -3.105
   37    HB   VAL   6           HB       VAL   6   5.354   0.798  -2.857
   38   1HG1  VAL   6          1HG1      VAL   6   5.337   1.830  -5.081
   39   2HG1  VAL   6          2HG1      VAL   6   7.087   1.552  -5.248
   40   3HG1  VAL   6          3HG1      VAL   6   5.964   0.180  -5.189
   41   1HG2  VAL   6          1HG2      VAL   6   7.506  -0.021  -1.851
   42   2HG2  VAL   6          2HG2      VAL   6   7.112  -0.892  -3.339
   43   3HG2  VAL   6          3HG2      VAL   6   8.345   0.385  -3.358
   44    H    LYS   7           H        LYS   7   7.006   4.247  -4.454
   45    HA   LYS   7           HA       LYS   7   5.240   6.220  -3.593
   46   2HB   LYS   7          2HB       LYS   7   5.651   7.219  -5.855
   47   2HG   LYS   7          2HG       LYS   7   7.491   6.676  -3.710
   48   2HD   LYS   7          2HD       LYS   7   8.836   5.344  -5.276
   49   2HE   LYS   7          2HE       LYS   7   8.316   6.335  -7.471
   50   1HZ   LYS   7          1HZ       LYS   7   9.231   8.479  -8.021
   51   2HZ   LYS   7          2HZ       LYS   7   8.100   8.630  -6.840
   52   3HZ   LYS   7          3HZ       LYS   7   9.702   8.735  -6.465
   53    H    CYS   8           H        CYS   8   3.127   6.037  -3.346
   54    HA   CYS   8           HA       CYS   8   1.420   4.295  -4.869
   55   2HB   CYS   8          2HB       CYS   8   0.915   5.108  -2.789
   56    H    PHE   9           H        PHE   9   0.826   4.503  -6.931
   57    HA   PHE   9           HA       PHE   9   0.432   7.078  -8.297
   58   2HB   PHE   9          2HB       PHE   9  -0.646   4.287  -8.896
   59    HD1  PHE   9           HD1      PHE   9   0.788   7.118 -10.904
   60    HD2  PHE   9           HD2      PHE   9  -2.694   4.702 -10.084
   61    HE1  PHE   9           HE1      PHE   9  -0.385   8.143 -12.831
   62    HE2  PHE   9           HE2      PHE   9  -3.852   5.725 -12.019
   63    HZ   PHE   9           HZ       PHE   9  -2.703   7.444 -13.400
   64    H    ALA  10           H        ALA  10  -1.319   4.705  -6.259
   65    HA   ALA  10           HA       ALA  10  -3.228   6.594  -5.344
   66   1HB   ALA  10          1HB       ALA  10  -4.285   6.228  -7.570
   67   2HB   ALA  10          2HB       ALA  10  -4.208   4.470  -7.322
   68   3HB   ALA  10          3HB       ALA  10  -5.259   5.473  -6.299
   69    H    SER  11           H        SER  11  -4.633   5.550  -3.768
   70    HA   SER  11           HA       SER  11  -3.562   3.615  -2.054
   71   2HB   SER  11          2HB       SER  11  -6.033   3.259  -1.422
   72    HG   SER  11           HG       SER  11  -5.189   5.981  -1.600
   73    H    SER  12           H        SER  12  -5.611   3.066  -4.975
   74    HA   SER  12           HA       SER  12  -6.167   0.380  -4.381
   75   2HB   SER  12          2HB       SER  12  -7.597   1.277  -5.944
   76    HG   SER  12           HG       SER  12  -6.812   2.715  -7.602
   77    H    GLU  13           H        GLU  13  -3.191   1.876  -5.567
   78    HA   GLU  13           HA       GLU  13  -2.190  -0.550  -6.806
   79   2HB   GLU  13          2HB       GLU  13  -0.466   1.345  -5.389
   80   2HG   GLU  13          2HG       GLU  13   0.917   1.102  -7.552
   81    H    CYS  14           H        CYS  14  -1.875   1.031  -3.541
   82    HA   CYS  14           HA       CYS  14  -0.059  -0.519  -2.250
   83   2HB   CYS  14          2HB       CYS  14  -1.118   0.162  -0.267
   84    H    TRP  15           H        TRP  15  -3.229  -1.194  -3.297
   85    HA   TRP  15           HA       TRP  15  -3.841  -3.400  -1.440
   86   2HB   TRP  15          2HB       TRP  15  -5.617  -3.971  -3.053
   87    HD1  TRP  15           HD1      TRP  15  -4.809  -1.095  -0.996
   88    HE1  TRP  15           HE1      TRP  15  -6.835   0.323  -0.466
   89    HE3  TRP  15           HE3      TRP  15  -7.968  -3.033  -4.455
   90    HZ2  TRP  15           HZ2      TRP  15  -9.569   0.628  -1.483
   91    HZ3  TRP  15           HZ3      TRP  15 -10.287  -2.139  -4.709
   92    HH2  TRP  15           HH2      TRP  15 -11.094  -0.329  -3.211
   93    H    THR  16           H        THR  16  -3.082  -3.294  -4.988
   94    HA   THR  16           HA       THR  16  -2.281  -6.004  -5.208
   95    HB   THR  16           HB       THR  16  -0.939  -4.776  -7.189
   96    HG1  THR  16           HG1      THR  16  -1.394  -2.666  -6.495
   97   1HG2  THR  16          1HG2      THR  16  -2.819  -6.353  -7.488
   98   2HG2  THR  16          2HG2      THR  16  -3.969  -5.067  -7.039
   99   3HG2  THR  16          3HG2      THR  16  -3.014  -4.931  -8.528
  100    H    ALA  17           H        ALA  17  -0.478  -3.106  -3.984
  101    HA   ALA  17           HA       ALA  17   2.061  -4.369  -4.057
  102   1HB   ALA  17          1HB       ALA  17   1.185  -2.333  -1.997
  103   2HB   ALA  17          2HB       ALA  17   2.821  -2.695  -2.551
  104   3HB   ALA  17          3HB       ALA  17   1.674  -1.920  -3.655
  105    H    CYS  18           H        CYS  18  -0.105  -4.037  -1.187
  106    HA   CYS  18           HA       CYS  18   1.486  -5.742   0.370
  107   2HB   CYS  18          2HB       CYS  18  -1.069  -6.089   1.373
  108    H    LYS  19           H        LYS  19  -1.051  -6.437  -1.981
  109    HA   LYS  19           HA       LYS  19  -1.289  -9.172  -1.381
  110   2HB   LYS  19          2HB       LYS  19  -2.250  -9.170  -3.737
  111   2HG   LYS  19          2HG       LYS  19  -3.581  -7.139  -2.402
  112   2HD   LYS  19          2HD       LYS  19  -5.207  -9.062  -1.775
  113   2HE   LYS  19          2HE       LYS  19  -5.906  -9.706  -4.052
  114   1HZ   LYS  19          1HZ       LYS  19  -6.185  -7.544  -4.992
  115   2HZ   LYS  19          2HZ       LYS  19  -6.408  -7.444  -3.366
  116   3HZ   LYS  19          3HZ       LYS  19  -5.008  -6.900  -4.044
  117    H    LYS  20           H        LYS  20   0.737  -7.471  -3.720
  118    HA   LYS  20           HA       LYS  20   2.025  -9.677  -4.972
  119   2HB   LYS  20          2HB       LYS  20   3.980  -8.042  -5.280
  120   2HG   LYS  20          2HG       LYS  20   1.199  -7.510  -6.305
  121   2HD   LYS  20          2HD       LYS  20   3.701  -5.848  -6.918
  122   2HE   LYS  20          2HE       LYS  20   0.854  -5.762  -8.013
  123   1HZ   LYS  20          1HZ       LYS  20   1.526  -3.660  -9.051
  124   2HZ   LYS  20          2HZ       LYS  20   1.368  -3.434  -7.471
  125   3HZ   LYS  20          3HZ       LYS  20   2.865  -3.588  -8.118
  126    H    VAL  21           H        VAL  21   3.183  -7.772  -2.073
  127    HA   VAL  21           HA       VAL  21   5.341  -9.530  -1.597
  128    HB   VAL  21           HB       VAL  21   4.527  -8.531   0.914
  129   1HG1  VAL  21          1HG1      VAL  21   6.396  -7.364  -1.198
  130   2HG1  VAL  21          2HG1      VAL  21   6.493  -6.988   0.542
  131   3HG1  VAL  21          3HG1      VAL  21   6.862  -8.630  -0.028
  132   1HG2  VAL  21          1HG2      VAL  21   4.218  -6.281  -1.064
  133   2HG2  VAL  21          2HG2      VAL  21   2.920  -7.123  -0.159
  134   3HG2  VAL  21          3HG2      VAL  21   4.161  -6.206   0.709
  135    H    THR  22           H        THR  22   1.950  -9.692  -0.253
  136    HA   THR  22           HA       THR  22   2.623 -12.390   0.773
  137    HB   THR  22           HB       THR  22   2.426  -9.763   2.181
  138    HG1  THR  22           HG1      THR  22   4.204 -11.375   1.937
  139   1HG2  THR  22          1HG2      THR  22   1.052 -12.194   3.325
  140   2HG2  THR  22          2HG2      THR  22   1.554 -10.745   4.242
  141   3HG2  THR  22          3HG2      THR  22   0.386 -10.580   2.917
  142    H    GLY  23           H        GLY  23   0.067  -9.898   0.368
  143   1HA   GLY  23          1HA       GLY  23  -1.878 -11.249  -0.893
  144   2HA   GLY  23          2HA       GLY  23  -1.946 -12.127   0.627
  145    H    SER  24           H        SER  24  -1.186  -9.329   1.892
  146    HA   SER  24           HA       SER  24  -3.833  -9.166   2.979
  147   2HB   SER  24          2HB       SER  24  -2.780  -7.732   4.635
  148    HG   SER  24           HG       SER  24  -2.120  -9.944   4.652
  149    H    GLY  25           H        GLY  25  -4.551  -8.463   0.635
  150   1HA   GLY  25          1HA       GLY  25  -3.643  -6.187  -0.559
  151   2HA   GLY  25          2HA       GLY  25  -5.160  -6.962  -0.930
  152    H    GLN  26           H        GLN  26  -5.335  -5.719   2.257
  153    HA   GLN  26           HA       GLN  26  -7.348  -3.768   1.294
  154   2HB   GLN  26          2HB       GLN  26  -8.432  -4.173   3.383
  155   2HG   GLN  26          2HG       GLN  26  -7.383  -6.839   2.293
  156   1HE2  GLN  26          1HE2      GLN  26 -10.384  -5.348   3.695
  157   2HE2  GLN  26          2HE2      GLN  26 -10.750  -6.767   4.657
  158    H    GLY  27           H        GLY  27  -6.409  -1.707   1.267
  159   1HA   GLY  27          1HA       GLY  27  -4.895  -0.686   3.549
  160   2HA   GLY  27          2HA       GLY  27  -3.934  -1.140   2.105
  161    H    LYS  28           H        LYS  28  -3.453   1.276   2.367
  162    HA   LYS  28           HA       LYS  28  -4.901   2.741   0.347
  163   2HB   LYS  28          2HB       LYS  28  -5.024   4.776   2.074
  164   2HG   LYS  28          2HG       LYS  28  -7.216   2.674   2.145
  165   2HD   LYS  28          2HD       LYS  28  -7.168   5.665   2.711
  166   2HE   LYS  28          2HE       LYS  28  -9.493   3.686   2.467
  167   1HZ   LYS  28          1HZ       LYS  28  -9.868   5.218   4.266
  168   2HZ   LYS  28          2HZ       LYS  28  -9.538   6.513   3.301
  169   3HZ   LYS  28          3HZ       LYS  28 -10.854   5.580   3.002
  170    H    CYS  29           H        CYS  29  -3.808   4.680  -0.250
  171    HA   CYS  29           HA       CYS  29  -0.897   4.411   0.262
  172   2HB   CYS  29          2HB       CYS  29  -1.595   4.627  -2.254
  173    H    GLN  30           H        GLN  30   0.256   6.455   0.661
  174    HA   GLN  30           HA       GLN  30  -1.321   8.713   1.765
  175   2HB   GLN  30          2HB       GLN  30   1.068   7.474   3.162
  176   2HG   GLN  30          2HG       GLN  30  -1.092   9.405   4.112
  177   1HE2  GLN  30          1HE2      GLN  30  -0.129  10.588   6.175
  178   2HE2  GLN  30          2HE2      GLN  30   0.480   9.504   7.404
  179    H    ASN  31           H        ASN  31  -0.516  10.420   0.569
  180    HA   ASN  31           HA       ASN  31   0.976  11.906  -0.188
  181   2HB   ASN  31          2HB       ASN  31   3.256  10.441   1.256
  182   1HD2  ASN  31          1HD2      ASN  31   3.652  12.670   2.973
  183   2HD2  ASN  31          2HD2      ASN  31   4.233  13.980   1.960
  184    H    ASN  32           H        ASN  32   3.217   9.204  -0.226
  185    HA   ASN  32           HA       ASN  32   2.674   8.069  -2.662
  186   2HB   ASN  32          2HB       ASN  32   4.941   8.449  -3.846
  187   1HD2  ASN  32          1HD2      ASN  32   2.449   8.858  -4.724
  188   2HD2  ASN  32          2HD2      ASN  32   2.083  10.571  -4.719
  189    H    GLN  33           H        GLN  33   2.639   7.187  -0.251
  190    HA   GLN  33           HA       GLN  33   4.684   5.134  -0.180
  191   2HB   GLN  33          2HB       GLN  33   4.600   5.295   2.341
  192   2HG   GLN  33          2HG       GLN  33   6.444   6.537   0.920
  193   1HE2  GLN  33          1HE2      GLN  33   6.347   8.434  -0.286
  194   2HE2  GLN  33          2HE2      GLN  33   6.006  10.028   0.400
  195    H    CYS  34           H        CYS  34   3.438   3.453   1.664
  196    HA   CYS  34           HA       CYS  34   0.557   3.627   1.328
  197   2HB   CYS  34          2HB       CYS  34   1.397   1.102   0.232
  198    H    ARG  35           H        ARG  35  -0.605   1.894   2.257
  199    HA   ARG  35           HA       ARG  35   0.860   0.371   4.306
  200   2HB   ARG  35          2HB       ARG  35  -0.903   1.197   5.989
  201   2HG   ARG  35          2HG       ARG  35   0.745   3.370   4.738
  202   2HD   ARG  35          2HD       ARG  35   0.160   2.970   7.699
  203    HE   ARG  35           HE       ARG  35   0.533   5.464   6.085
  204   1HH1  ARG  35          1HH1      ARG  35   1.877   3.387   8.621
  205   2HH1  ARG  35          2HH1      ARG  35   3.120   4.502   9.087
  206   1HH2  ARG  35          1HH2      ARG  35   2.097   6.946   6.717
  207   2HH2  ARG  35          2HH2      ARG  35   3.336   6.562   7.895
  208    H    CYS  36           H        CYS  36  -0.346  -1.305   5.216
  209    HA   CYS  36           HA       CYS  36  -3.042  -1.854   4.096
  210   2HB   CYS  36          2HB       CYS  36  -1.474  -2.979   2.596
  211    H    TYR  37           H        TYR  37  -4.151  -3.559   5.269
  212    HA   TYR  37           HA       TYR  37  -3.924  -2.956   8.066
  213   2HB   TYR  37          2HB       TYR  37  -6.007  -3.374   6.472
  214    HD1  TYR  37           HD1      TYR  37  -4.913  -5.633   5.150
  215    HD2  TYR  37           HD2      TYR  37  -7.177  -5.615   8.826
  216    HE1  TYR  37           HE1      TYR  37  -5.824  -7.868   4.608
  217    HE2  TYR  37           HE2      TYR  37  -8.002  -7.894   8.317
  218    HH   TYR  37           HH       TYR  37  -7.948  -9.099   5.151
  Start of MODEL   11
    1   1H    PHE   1          1H        PHE   1  -1.368  -0.818   8.320
    2    HA   PHE   1           HA       PHE   1  -0.306  -1.367  11.029
    3   2HB   PHE   1          2HB       PHE   1  -1.439  -3.445   9.086
    4    HD1  PHE   1           HD1      PHE   1  -2.099  -3.287  12.687
    5    HD2  PHE   1           HD2      PHE   1   0.553  -4.942   9.709
    6    HE1  PHE   1           HE1      PHE   1  -1.237  -4.903  14.350
    7    HE2  PHE   1           HE2      PHE   1   1.441  -6.528  11.395
    8    HZ   PHE   1           HZ       PHE   1   0.543  -6.518  13.714
    9    H    GLY   2           H        GLY   2  -0.091  -2.561   7.760
   10   1HA   GLY   2          1HA       GLY   2   2.817  -2.798   7.542
   11   2HA   GLY   2          2HA       GLY   2   1.645  -2.803   6.242
   12    H    LEU   3           H        LEU   3   4.256  -1.072   6.992
   13    HA   LEU   3           HA       LEU   3   3.108   1.212   5.647
   14   2HB   LEU   3          2HB       LEU   3   3.092   1.890   8.075
   15    HG   LEU   3           HG       LEU   3   6.127   1.469   7.793
   16   1HD1  LEU   3          1HD1      LEU   3   5.620   3.762   8.618
   17   2HD1  LEU   3          2HD1      LEU   3   4.553   3.111   9.883
   18   3HD1  LEU   3          3HD1      LEU   3   6.297   2.769   9.918
   19   1HD2  LEU   3          1HD2      LEU   3   5.049  -0.484   8.825
   20   2HD2  LEU   3          2HD2      LEU   3   5.806   0.441  10.115
   21   3HD2  LEU   3          3HD2      LEU   3   4.049   0.531   9.887
   22    H    ILE   4           H        ILE   4   4.186   1.724   3.891
   23    HA   ILE   4           HA       ILE   4   6.836   0.560   3.508
   24    HB   ILE   4           HB       ILE   4   5.840  -0.771   1.872
   25   2HG1  ILE   4          2HG1      ILE   4   4.207   1.467   1.138
   26   1HG2  ILE   4          1HG2      ILE   4   3.798  -1.840   2.679
   27   2HG2  ILE   4          2HG2      ILE   4   4.874  -1.527   4.041
   28   3HG2  ILE   4          3HG2      ILE   4   3.438  -0.494   3.777
   29   1HD1  ILE   4          1HD1      ILE   4   4.329  -1.366   0.100
   30   2HD1  ILE   4          2HD1      ILE   4   3.719   0.073  -0.760
   31   3HD1  ILE   4          3HD1      ILE   4   5.453  -0.049  -0.331
   32    H    ASP   5           H        ASP   5   7.768   1.441   1.489
   33    HA   ASP   5           HA       ASP   5   6.845   4.212   0.902
   34   2HB   ASP   5          2HB       ASP   5   9.589   4.419   0.673
   35    H    VAL   6           H        VAL   6   6.025   2.120  -0.569
   36    HA   VAL   6           HA       VAL   6   7.502   2.467  -3.143
   37    HB   VAL   6           HB       VAL   6   5.057   0.807  -2.522
   38   1HG1  VAL   6          1HG1      VAL   6   6.589   1.198  -5.128
   39   2HG1  VAL   6          2HG1      VAL   6   5.383  -0.073  -4.830
   40   3HG1  VAL   6          3HG1      VAL   6   4.887   1.620  -4.822
   41   1HG2  VAL   6          1HG2      VAL   6   7.291  -0.068  -1.669
   42   2HG2  VAL   6          2HG2      VAL   6   6.601  -1.074  -2.952
   43   3HG2  VAL   6          3HG2      VAL   6   7.920   0.054  -3.314
   44    H    LYS   7           H        LYS   7   7.044   4.041  -4.431
   45    HA   LYS   7           HA       LYS   7   5.461   6.203  -4.024
   46   2HB   LYS   7          2HB       LYS   7   7.186   6.368  -5.536
   47   2HG   LYS   7          2HG       LYS   7   5.812   4.339  -7.357
   48   2HD   LYS   7          2HD       LYS   7   8.329   6.031  -7.658
   49   2HE   LYS   7          2HE       LYS   7   7.148   3.882  -9.491
   50   1HZ   LYS   7          1HZ       LYS   7   8.205   5.669 -10.708
   51   2HZ   LYS   7          2HZ       LYS   7   9.579   5.521  -9.819
   52   3HZ   LYS   7          3HZ       LYS   7   9.103   4.296 -10.803
   53    H    CYS   8           H        CYS   8   3.388   6.095  -3.456
   54    HA   CYS   8           HA       CYS   8   1.239   4.619  -4.777
   55   2HB   CYS   8          2HB       CYS   8   1.397   6.653  -2.718
   56    H    PHE   9           H        PHE   9   0.567   4.968  -6.721
   57    HA   PHE   9           HA       PHE   9   0.110   7.743  -7.741
   58   2HB   PHE   9          2HB       PHE   9  -0.768   6.566  -9.743
   59    HD1  PHE   9           HD1      PHE   9   0.816   8.002 -10.846
   60    HD2  PHE   9           HD2      PHE   9   2.202   4.546  -8.657
   61    HE1  PHE   9           HE1      PHE   9   3.048   8.233 -11.888
   62    HE2  PHE   9           HE2      PHE   9   4.422   4.779  -9.702
   63    HZ   PHE   9           HZ       PHE   9   4.855   6.621 -11.338
   64    H    ALA  10           H        ALA  10  -1.230   5.293  -5.726
   65    HA   ALA  10           HA       ALA  10  -3.705   6.486  -5.381
   66   1HB   ALA  10          1HB       ALA  10  -4.365   5.742  -7.654
   67   2HB   ALA  10          2HB       ALA  10  -3.840   4.089  -7.276
   68   3HB   ALA  10          3HB       ALA  10  -5.231   4.807  -6.437
   69    H    SER  11           H        SER  11  -4.992   5.271  -3.811
   70    HA   SER  11           HA       SER  11  -3.639   3.591  -1.936
   71   2HB   SER  11          2HB       SER  11  -5.552   4.815  -1.180
   72    HG   SER  11           HG       SER  11  -7.497   4.815  -2.447
   73    H    SER  12           H        SER  12  -5.747   2.921  -4.751
   74    HA   SER  12           HA       SER  12  -6.105   0.208  -4.208
   75   2HB   SER  12          2HB       SER  12  -7.547   1.191  -5.769
   76    HG   SER  12           HG       SER  12  -5.387   2.041  -7.386
   77    H    GLU  13           H        GLU  13  -3.252   1.852  -5.421
   78    HA   GLU  13           HA       GLU  13  -1.949  -0.353  -6.707
   79   2HB   GLU  13          2HB       GLU  13  -0.669   1.666  -4.938
   80   2HG   GLU  13          2HG       GLU  13   1.089   1.743  -6.744
   81    H    CYS  14           H        CYS  14  -1.777   0.991  -3.398
   82    HA   CYS  14           HA       CYS  14   0.038  -0.538  -2.105
   83   2HB   CYS  14          2HB       CYS  14  -0.990   0.253  -0.123
   84    H    TRP  15           H        TRP  15  -3.203  -1.167  -3.020
   85    HA   TRP  15           HA       TRP  15  -3.726  -3.450  -1.223
   86   2HB   TRP  15          2HB       TRP  15  -5.534  -4.000  -2.772
   87    HD1  TRP  15           HD1      TRP  15  -4.700  -1.142  -0.719
   88    HE1  TRP  15           HE1      TRP  15  -6.712   0.280  -0.147
   89    HE3  TRP  15           HE3      TRP  15  -7.929  -3.055  -4.131
   90    HZ2  TRP  15           HZ2      TRP  15  -9.445   0.631  -1.147
   91    HZ3  TRP  15           HZ3      TRP  15 -10.248  -2.147  -4.341
   92    HH2  TRP  15           HH2      TRP  15 -11.003  -0.309  -2.851
   93    H    THR  16           H        THR  16  -2.960  -3.186  -4.740
   94    HA   THR  16           HA       THR  16  -2.271  -5.885  -5.179
   95    HB   THR  16           HB       THR  16  -1.503  -5.250  -7.101
   96    HG1  THR  16           HG1      THR  16  -0.364  -2.755  -6.478
   97   1HG2  THR  16          1HG2      THR  16  -3.730  -4.099  -6.929
   98   2HG2  THR  16          2HG2      THR  16  -2.831  -2.575  -6.737
   99   3HG2  THR  16          3HG2      THR  16  -2.667  -3.508  -8.223
  100    H    ALA  17           H        ALA  17  -0.338  -3.137  -4.059
  101    HA   ALA  17           HA       ALA  17   2.150  -4.438  -3.971
  102   1HB   ALA  17          1HB       ALA  17   1.270  -2.443  -1.848
  103   2HB   ALA  17          2HB       ALA  17   2.914  -2.800  -2.382
  104   3HB   ALA  17          3HB       ALA  17   1.790  -1.991  -3.485
  105    H    CYS  18           H        CYS  18  -0.179  -4.265  -1.248
  106    HA   CYS  18           HA       CYS  18   1.275  -5.989   0.447
  107   2HB   CYS  18          2HB       CYS  18  -1.715  -6.026   0.594
  108    H    LYS  19           H        LYS  19  -1.088  -6.573  -2.146
  109    HA   LYS  19           HA       LYS  19  -1.497  -9.295  -1.642
  110   2HB   LYS  19          2HB       LYS  19  -2.202  -9.272  -4.064
  111   2HG   LYS  19          2HG       LYS  19  -3.445  -7.070  -2.675
  112   2HD   LYS  19          2HD       LYS  19  -5.546  -8.256  -3.173
  113   2HE   LYS  19          2HE       LYS  19  -4.471  -6.980  -5.146
  114   1HZ   LYS  19          1HZ       LYS  19  -4.220  -9.775  -6.092
  115   2HZ   LYS  19          2HZ       LYS  19  -4.084  -8.441  -7.038
  116   3HZ   LYS  19          3HZ       LYS  19  -2.964  -8.737  -5.869
  117    H    LYS  20           H        LYS  20   0.741  -7.561  -3.661
  118    HA   LYS  20           HA       LYS  20   2.039  -9.677  -5.027
  119   2HB   LYS  20          2HB       LYS  20   4.081  -7.782  -4.433
  120   2HG   LYS  20          2HG       LYS  20   3.594  -8.889  -6.601
  121   2HD   LYS  20          2HD       LYS  20   1.071  -7.921  -6.539
  122   2HE   LYS  20          2HE       LYS  20   0.790  -6.151  -8.191
  123   1HZ   LYS  20          1HZ       LYS  20   1.384  -5.591  -5.794
  124   2HZ   LYS  20          2HZ       LYS  20   2.733  -4.881  -6.430
  125   3HZ   LYS  20          3HZ       LYS  20   1.216  -4.383  -6.882
  126    H    VAL  21           H        VAL  21   3.096  -8.135  -1.920
  127    HA   VAL  21           HA       VAL  21   5.041 -10.150  -1.427
  128    HB   VAL  21           HB       VAL  21   4.235  -9.132   1.061
  129   1HG1  VAL  21          1HG1      VAL  21   6.365  -7.807   0.828
  130   2HG1  VAL  21          2HG1      VAL  21   6.569  -9.461   0.206
  131   3HG1  VAL  21          3HG1      VAL  21   6.300  -8.110  -0.928
  132   1HG2  VAL  21          1HG2      VAL  21   4.174  -6.752   0.911
  133   2HG2  VAL  21          2HG2      VAL  21   4.242  -6.795  -0.859
  134   3HG2  VAL  21          3HG2      VAL  21   2.825  -7.446   0.013
  135    H    THR  22           H        THR  22   1.834  -9.690   0.142
  136    HA   THR  22           HA       THR  22   2.193 -12.389   1.399
  137    HB   THR  22           HB       THR  22   0.517 -11.620   3.004
  138    HG1  THR  22           HG1      THR  22   0.629  -9.152   1.576
  139   1HG2  THR  22          1HG2      THR  22   1.871 -10.023   4.208
  140   2HG2  THR  22          2HG2      THR  22   2.943 -11.202   3.426
  141   3HG2  THR  22          3HG2      THR  22   2.756  -9.570   2.744
  142    H    GLY  23           H        GLY  23  -0.159 -10.340  -0.180
  143   1HA   GLY  23          1HA       GLY  23  -1.930 -11.488  -1.699
  144   2HA   GLY  23          2HA       GLY  23  -2.076 -12.674  -0.410
  145    H    SER  24           H        SER  24  -1.525 -10.229   1.510
  146    HA   SER  24           HA       SER  24  -4.318 -10.101   2.266
  147   2HB   SER  24          2HB       SER  24  -3.424  -9.008   4.262
  148    HG   SER  24           HG       SER  24  -1.851 -10.676   4.760
  149    H    GLY  25           H        GLY  25  -4.770  -8.963   0.138
  150   1HA   GLY  25          1HA       GLY  25  -3.614  -6.631  -0.663
  151   2HA   GLY  25          2HA       GLY  25  -5.168  -7.227  -1.202
  152    H    GLN  26           H        GLN  26  -4.683  -5.877   2.077
  153    HA   GLN  26           HA       GLN  26  -6.918  -3.991   1.527
  154   2HB   GLN  26          2HB       GLN  26  -7.394  -4.332   3.912
  155   2HG   GLN  26          2HG       GLN  26  -6.857  -7.045   2.627
  156   1HE2  GLN  26          1HE2      GLN  26  -9.375  -8.105   2.808
  157   2HE2  GLN  26          2HE2      GLN  26  -9.859  -8.171   4.494
  158    H    GLY  27           H        GLY  27  -6.219  -1.767   1.588
  159   1HA   GLY  27          1HA       GLY  27  -4.483  -0.833   3.680
  160   2HA   GLY  27          2HA       GLY  27  -3.592  -1.061   2.156
  161    H    LYS  28           H        LYS  28  -3.349   1.350   2.591
  162    HA   LYS  28           HA       LYS  28  -4.831   2.588   0.463
  163   2HB   LYS  28          2HB       LYS  28  -5.145   4.746   1.893
  164   2HG   LYS  28          2HG       LYS  28  -7.133   2.562   2.558
  165   2HD   LYS  28          2HD       LYS  28  -7.331   5.572   2.104
  166   2HE   LYS  28          2HE       LYS  28  -9.483   3.545   2.894
  167   1HZ   LYS  28          1HZ       LYS  28  -9.825   5.735   3.841
  168   2HZ   LYS  28          2HZ       LYS  28  -9.700   6.439   2.358
  169   3HZ   LYS  28          3HZ       LYS  28 -10.946   5.419   2.683
  170    H    CYS  29           H        CYS  29  -3.778   4.673  -0.104
  171    HA   CYS  29           HA       CYS  29  -0.880   4.356   0.356
  172   2HB   CYS  29          2HB       CYS  29  -1.802   4.767  -2.147
  173    H    GLN  30           H        GLN  30   0.299   6.496   0.704
  174    HA   GLN  30           HA       GLN  30  -1.333   8.725   1.625
  175   2HB   GLN  30          2HB       GLN  30   1.048   7.663   3.203
  176   2HG   GLN  30          2HG       GLN  30   0.961   9.994   3.592
  177   1HE2  GLN  30          1HE2      GLN  30  -2.196   9.408   5.184
  178   2HE2  GLN  30          2HE2      GLN  30  -3.040  10.638   4.265
  179    H    ASN  31           H        ASN  31  -0.258  10.650   1.005
  180    HA   ASN  31           HA       ASN  31   1.207  11.983  -0.040
  181   2HB   ASN  31          2HB       ASN  31   3.212  10.190   1.444
  182   1HD2  ASN  31          1HD2      ASN  31   5.143  10.857   0.440
  183   2HD2  ASN  31          2HD2      ASN  31   5.562  12.554   0.222
  184    H    ASN  32           H        ASN  32   3.446   9.348  -0.287
  185    HA   ASN  32           HA       ASN  32   2.707   8.326  -2.785
  186   2HB   ASN  32          2HB       ASN  32   4.873   8.642  -4.056
  187   1HD2  ASN  32          1HD2      ASN  32   2.538   9.211  -4.887
  188   2HD2  ASN  32          2HD2      ASN  32   2.144  10.909  -4.672
  189    H    GLN  33           H        GLN  33   2.651   7.248  -0.521
  190    HA   GLN  33           HA       GLN  33   4.726   5.207  -0.234
  191   2HB   GLN  33          2HB       GLN  33   4.389   5.638   2.319
  192   2HG   GLN  33          2HG       GLN  33   6.468   6.235   0.886
  193   1HE2  GLN  33          1HE2      GLN  33   8.156   7.871   1.422
  194   2HE2  GLN  33          2HE2      GLN  33   7.826   9.523   0.843
  195    H    CYS  34           H        CYS  34   3.549   3.559   1.556
  196    HA   CYS  34           HA       CYS  34   0.666   3.761   1.380
  197   2HB   CYS  34          2HB       CYS  34   1.381   1.184   0.311
  198    H    ARG  35           H        ARG  35  -0.483   2.076   2.445
  199    HA   ARG  35           HA       ARG  35   1.125   0.764   4.527
  200   2HB   ARG  35          2HB       ARG  35  -0.662   1.855   6.164
  201   2HG   ARG  35          2HG       ARG  35   1.672   3.211   4.843
  202   2HD   ARG  35          2HD       ARG  35   0.997   4.330   7.430
  203    HE   ARG  35           HE       ARG  35   2.139   5.136   4.826
  204   1HH1  ARG  35          1HH1      ARG  35   1.150   6.420   7.944
  205   2HH1  ARG  35          2HH1      ARG  35   2.320   7.705   7.967
  206   1HH2  ARG  35          1HH2      ARG  35   3.775   6.734   4.855
  207   2HH2  ARG  35          2HH2      ARG  35   3.823   7.914   6.119
  208    H    CYS  36           H        CYS  36   0.210  -1.109   5.372
  209    HA   CYS  36           HA       CYS  36  -2.236  -2.020   3.871
  210   2HB   CYS  36          2HB       CYS  36   0.187  -3.653   4.677
  211    H    TYR  37           H        TYR  37  -3.560  -3.567   5.049
  212    HA   TYR  37           HA       TYR  37  -3.726  -2.921   7.964
  213   2HB   TYR  37          2HB       TYR  37  -6.111  -3.466   7.643
  214    HD1  TYR  37           HD1      TYR  37  -4.165  -0.846   7.309
  215    HD2  TYR  37           HD2      TYR  37  -7.600  -2.475   5.251
  216    HE1  TYR  37           HE1      TYR  37  -4.752   1.399   6.500
  217    HE2  TYR  37           HE2      TYR  37  -8.177  -0.219   4.448
  218    HH   TYR  37           HH       TYR  37  -7.764   2.009   4.699
  Start of MODEL   12
    1   1H    PHE   1          1H        PHE   1  -1.976  -0.726   8.032
    2    HA   PHE   1           HA       PHE   1  -1.171  -0.565  10.873
    3   2HB   PHE   1          2HB       PHE   1  -1.676  -3.108   9.255
    4    HD1  PHE   1           HD1      PHE   1  -3.250  -2.778  12.439
    5    HD2  PHE   1           HD2      PHE   1   0.544  -3.798  10.631
    6    HE1  PHE   1           HE1      PHE   1  -2.572  -3.947  14.508
    7    HE2  PHE   1           HE2      PHE   1   1.229  -4.910  12.732
    8    HZ   PHE   1           HZ       PHE   1  -0.325  -4.998  14.670
    9    H    GLY   2           H        GLY   2  -0.263  -2.382   8.043
   10   1HA   GLY   2          1HA       GLY   2   2.515  -2.407   7.913
   11   2HA   GLY   2          2HA       GLY   2   1.428  -2.275   6.562
   12    H    LEU   3           H        LEU   3   4.130  -0.861   7.153
   13    HA   LEU   3           HA       LEU   3   3.140   1.472   5.790
   14   2HB   LEU   3          2HB       LEU   3   3.388   2.379   8.092
   15    HG   LEU   3           HG       LEU   3   6.316   1.462   7.731
   16   1HD1  LEU   3          1HD1      LEU   3   6.838   2.987   9.624
   17   2HD1  LEU   3          2HD1      LEU   3   6.243   3.890   8.227
   18   3HD1  LEU   3          3HD1      LEU   3   5.177   3.616   9.624
   19   1HD2  LEU   3          1HD2      LEU   3   4.977  -0.122   9.078
   20   2HD2  LEU   3          2HD2      LEU   3   6.015   0.797  10.161
   21   3HD2  LEU   3          3HD2      LEU   3   4.289   1.194  10.056
   22    H    ILE   4           H        ILE   4   4.250   1.714   3.915
   23    HA   ILE   4           HA       ILE   4   6.753   0.186   3.636
   24    HB   ILE   4           HB       ILE   4   5.739  -0.932   1.861
   25   2HG1  ILE   4          2HG1      ILE   4   4.378   1.451   1.183
   26   1HG2  ILE   4          1HG2      ILE   4   3.347  -0.571   3.748
   27   2HG2  ILE   4          2HG2      ILE   4   3.655  -1.915   2.630
   28   3HG2  ILE   4          3HG2      ILE   4   4.723  -1.679   4.015
   29   1HD1  ILE   4          1HD1      ILE   4   5.373  -0.282  -0.301
   30   2HD1  ILE   4          2HD1      ILE   4   4.031  -1.367   0.133
   31   3HD1  ILE   4          3HD1      ILE   4   3.697   0.151  -0.739
   32    H    ASP   5           H        ASP   5   7.866   0.868   1.541
   33    HA   ASP   5           HA       ASP   5   8.064   3.783   1.612
   34   2HB   ASP   5          2HB       ASP   5  10.029   2.308   1.888
   35    H    VAL   6           H        VAL   6   6.513   1.436  -0.438
   36    HA   VAL   6           HA       VAL   6   7.679   2.392  -2.838
   37    HB   VAL   6           HB       VAL   6   5.282   0.570  -2.497
   38   1HG1  VAL   6          1HG1      VAL   6   7.043   1.115  -4.924
   39   2HG1  VAL   6          2HG1      VAL   6   5.883  -0.223  -4.781
   40   3HG1  VAL   6          3HG1      VAL   6   5.299   1.443  -4.783
   41   1HG2  VAL   6          1HG2      VAL   6   7.396  -0.289  -1.439
   42   2HG2  VAL   6          2HG2      VAL   6   6.978  -1.212  -2.881
   43   3HG2  VAL   6          3HG2      VAL   6   8.259   0.013  -2.951
   44    H    LYS   7           H        LYS   7   7.128   3.775  -4.321
   45    HA   LYS   7           HA       LYS   7   5.593   5.993  -4.254
   46   2HB   LYS   7          2HB       LYS   7   6.415   4.156  -6.500
   47   2HG   LYS   7          2HG       LYS   7   6.127   6.823  -7.484
   48   2HD   LYS   7          2HD       LYS   7   4.652   4.209  -8.035
   49   2HE   LYS   7          2HE       LYS   7   4.762   6.752  -9.727
   50   1HZ   LYS   7          1HZ       LYS   7   4.665   4.734 -11.028
   51   2HZ   LYS   7          2HZ       LYS   7   3.369   4.189 -10.173
   52   3HZ   LYS   7          3HZ       LYS   7   3.228   5.530 -11.117
   53    H    CYS   8           H        CYS   8   3.476   6.103  -3.584
   54    HA   CYS   8           HA       CYS   8   1.380   4.254  -4.610
   55   2HB   CYS   8          2HB       CYS   8   1.439   6.028  -2.509
   56    H    PHE   9           H        PHE   9   0.334   4.505  -6.498
   57    HA   PHE   9           HA       PHE   9   0.321   7.195  -7.821
   58   2HB   PHE   9          2HB       PHE   9  -0.699   4.480  -8.780
   59    HD1  PHE   9           HD1      PHE   9   0.620   7.743 -10.182
   60    HD2  PHE   9           HD2      PHE   9  -2.467   4.724 -10.322
   61    HE1  PHE   9           HE1      PHE   9  -0.445   8.910 -12.087
   62    HE2  PHE   9           HE2      PHE   9  -3.522   5.903 -12.222
   63    HZ   PHE   9           HZ       PHE   9  -2.516   7.993 -13.112
   64    H    ALA  10           H        ALA  10  -1.338   5.204  -5.573
   65    HA   ALA  10           HA       ALA  10  -3.585   6.741  -5.160
   66   1HB   ALA  10          1HB       ALA  10  -5.352   5.245  -6.162
   67   2HB   ALA  10          2HB       ALA  10  -4.427   6.083  -7.411
   68   3HB   ALA  10          3HB       ALA  10  -4.084   4.378  -7.048
   69    H    SER  11           H        SER  11  -5.124   5.367  -3.698
   70    HA   SER  11           HA       SER  11  -3.678   3.677  -1.883
   71   2HB   SER  11          2HB       SER  11  -5.568   4.854  -1.009
   72    HG   SER  11           HG       SER  11  -7.536   4.958  -2.197
   73    H    SER  12           H        SER  12  -5.781   3.057  -4.716
   74    HA   SER  12           HA       SER  12  -6.249   0.365  -4.181
   75   2HB   SER  12          2HB       SER  12  -7.588   1.344  -5.843
   76    HG   SER  12           HG       SER  12  -6.632   2.575  -7.557
   77    H    GLU  13           H        GLU  13  -3.580   1.934  -5.862
   78    HA   GLU  13           HA       GLU  13  -1.960  -0.068  -6.828
   79   2HB   GLU  13          2HB       GLU  13  -1.020   1.961  -4.865
   80   2HG   GLU  13          2HG       GLU  13   0.789   2.423  -6.609
   81    H    CYS  14           H        CYS  14  -2.065   1.051  -3.412
   82    HA   CYS  14           HA       CYS  14  -0.116  -0.498  -2.269
   83   2HB   CYS  14          2HB       CYS  14  -1.091   0.229  -0.215
   84    H    TRP  15           H        TRP  15  -3.381  -1.119  -3.155
   85    HA   TRP  15           HA       TRP  15  -3.862  -3.398  -1.347
   86   2HB   TRP  15          2HB       TRP  15  -5.711  -3.970  -2.804
   87    HD1  TRP  15           HD1      TRP  15  -4.845  -1.131  -0.853
   88    HE1  TRP  15           HE1      TRP  15  -6.813   0.329  -0.257
   89    HE3  TRP  15           HE3      TRP  15  -8.135  -2.916  -4.307
   90    HZ2  TRP  15           HZ2      TRP  15  -9.547   0.760  -1.259
   91    HZ3  TRP  15           HZ3      TRP  15 -10.418  -1.960  -4.480
   92    HH2  TRP  15           HH2      TRP  15 -11.131  -0.126  -2.965
   93    H    THR  16           H        THR  16  -3.318  -3.216  -4.912
   94    HA   THR  16           HA       THR  16  -2.520  -5.908  -5.271
   95    HB   THR  16           HB       THR  16  -1.235  -4.524  -7.264
   96    HG1  THR  16           HG1      THR  16  -1.892  -2.505  -6.311
   97   1HG2  THR  16          1HG2      THR  16  -3.342  -4.751  -8.547
   98   2HG2  THR  16          2HG2      THR  16  -3.024  -6.207  -7.586
   99   3HG2  THR  16          3HG2      THR  16  -4.239  -5.019  -7.038
  100    H    ALA  17           H        ALA  17  -0.582  -3.051  -4.141
  101    HA   ALA  17           HA       ALA  17   1.885  -4.447  -4.392
  102   1HB   ALA  17          1HB       ALA  17   2.798  -2.776  -2.874
  103   2HB   ALA  17          2HB       ALA  17   1.666  -1.973  -3.975
  104   3HB   ALA  17          3HB       ALA  17   1.184  -2.333  -2.303
  105    H    CYS  18           H        CYS  18  -0.282  -4.137  -1.558
  106    HA   CYS  18           HA       CYS  18   1.234  -5.772   0.182
  107   2HB   CYS  18          2HB       CYS  18  -1.797  -5.714   0.264
  108    H    LYS  19           H        LYS  19  -1.215  -6.512  -2.280
  109    HA   LYS  19           HA       LYS  19  -1.535  -9.242  -1.636
  110   2HB   LYS  19          2HB       LYS  19  -2.313  -9.252  -4.109
  111   2HG   LYS  19          2HG       LYS  19  -3.555  -7.103  -2.565
  112   2HD   LYS  19          2HD       LYS  19  -5.659  -8.342  -3.166
  113   2HE   LYS  19          2HE       LYS  19  -3.927  -7.911  -5.648
  114   1HZ   LYS  19          1HZ       LYS  19  -6.859  -7.906  -5.345
  115   2HZ   LYS  19          2HZ       LYS  19  -6.030  -7.558  -6.718
  116   3HZ   LYS  19          3HZ       LYS  19  -5.978  -9.077  -6.095
  117    H    LYS  20           H        LYS  20   0.325  -7.665  -4.213
  118    HA   LYS  20           HA       LYS  20   1.740  -9.852  -5.238
  119   2HB   LYS  20          2HB       LYS  20   3.567  -8.058  -5.742
  120   2HG   LYS  20          2HG       LYS  20   2.083  -6.764  -7.297
  121   2HD   LYS  20          2HD       LYS  20   1.625  -9.774  -7.436
  122   2HE   LYS  20          2HE       LYS  20   2.019  -7.626  -9.580
  123   1HZ   LYS  20          1HZ       LYS  20   1.580  -9.404 -11.103
  124   2HZ   LYS  20          2HZ       LYS  20   2.932  -9.743 -10.235
  125   3HZ   LYS  20          3HZ       LYS  20   1.518 -10.514  -9.892
  126    H    VAL  21           H        VAL  21   2.792  -7.762  -2.360
  127    HA   VAL  21           HA       VAL  21   5.212  -9.124  -2.030
  128    HB   VAL  21           HB       VAL  21   3.306  -7.317  -0.478
  129   1HG1  VAL  21          1HG1      VAL  21   5.189  -6.802   0.964
  130   2HG1  VAL  21          2HG1      VAL  21   4.467  -8.414   1.116
  131   3HG1  VAL  21          3HG1      VAL  21   6.036  -8.234   0.269
  132   1HG2  VAL  21          1HG2      VAL  21   6.039  -6.764  -1.747
  133   2HG2  VAL  21          2HG2      VAL  21   4.520  -6.374  -2.563
  134   3HG2  VAL  21          3HG2      VAL  21   4.936  -5.558  -1.047
  135    H    THR  22           H        THR  22   2.061  -9.136  -0.172
  136    HA   THR  22           HA       THR  22   3.067 -11.472   1.234
  137    HB   THR  22           HB       THR  22   1.861  -8.849   1.968
  138    HG1  THR  22           HG1      THR  22   3.366  -9.171   3.657
  139   1HG2  THR  22          1HG2      THR  22   0.187 -10.235   2.812
  140   2HG2  THR  22          2HG2      THR  22   1.348 -11.359   3.572
  141   3HG2  THR  22          3HG2      THR  22   1.172  -9.684   4.173
  142    H    GLY  23           H        GLY  23   0.172 -10.002  -0.253
  143   1HA   GLY  23          1HA       GLY  23  -1.440 -11.558  -1.321
  144   2HA   GLY  23          2HA       GLY  23  -1.380 -12.556   0.124
  145    H    SER  24           H        SER  24  -1.237  -9.802   1.606
  146    HA   SER  24           HA       SER  24  -4.005 -10.225   2.479
  147   2HB   SER  24          2HB       SER  24  -3.253  -9.066   4.508
  148    HG   SER  24           HG       SER  24  -2.573 -11.279   4.095
  149    H    GLY  25           H        GLY  25  -4.512  -9.129   0.322
  150   1HA   GLY  25          1HA       GLY  25  -3.587  -6.826  -0.539
  151   2HA   GLY  25          2HA       GLY  25  -5.151  -7.452  -1.003
  152    H    GLN  26           H        GLN  26  -5.109  -6.113   2.270
  153    HA   GLN  26           HA       GLN  26  -6.938  -3.995   1.270
  154   2HB   GLN  26          2HB       GLN  26  -7.953  -4.124   3.415
  155   2HG   GLN  26          2HG       GLN  26  -7.432  -6.971   2.450
  156   1HE2  GLN  26          1HE2      GLN  26  -7.922  -7.436   4.812
  157   2HE2  GLN  26          2HE2      GLN  26  -9.617  -7.481   5.261
  158    H    GLY  27           H        GLY  27  -6.066  -1.933   1.295
  159   1HA   GLY  27          1HA       GLY  27  -4.413  -0.994   3.508
  160   2HA   GLY  27          2HA       GLY  27  -3.540  -1.283   1.976
  161    H    LYS  28           H        LYS  28  -3.189   1.144   2.398
  162    HA   LYS  28           HA       LYS  28  -4.811   2.608   0.507
  163   2HB   LYS  28          2HB       LYS  28  -5.199   4.559   2.037
  164   2HG   LYS  28          2HG       LYS  28  -6.624   2.149   3.209
  165   2HD   LYS  28          2HD       LYS  28  -7.426   5.083   2.848
  166   2HE   LYS  28          2HE       LYS  28  -9.307   4.470   4.371
  167   1HZ   LYS  28          1HZ       LYS  28  -9.725   4.369   2.005
  168   2HZ   LYS  28          2HZ       LYS  28  -9.299   2.775   1.961
  169   3HZ   LYS  28          3HZ       LYS  28 -10.620   3.258   2.813
  170    H    CYS  29           H        CYS  29  -3.711   4.682  -0.035
  171    HA   CYS  29           HA       CYS  29  -0.812   4.340   0.402
  172   2HB   CYS  29          2HB       CYS  29  -1.769   4.806  -2.106
  173    H    GLN  30           H        GLN  30   0.405   6.355   0.853
  174    HA   GLN  30           HA       GLN  30  -1.116   8.672   1.841
  175   2HB   GLN  30          2HB       GLN  30   1.362   7.534   3.194
  176   2HG   GLN  30          2HG       GLN  30   1.166   9.926   3.546
  177   1HE2  GLN  30          1HE2      GLN  30  -1.479   8.861   5.722
  178   2HE2  GLN  30          2HE2      GLN  30  -2.627  10.055   5.143
  179    H    ASN  31           H        ASN  31  -0.315  10.372   0.639
  180    HA   ASN  31           HA       ASN  31   1.136  11.780  -0.332
  181   2HB   ASN  31          2HB       ASN  31   3.397  10.247   1.064
  182   1HD2  ASN  31          1HD2      ASN  31   4.743  11.269  -0.655
  183   2HD2  ASN  31          2HD2      ASN  31   5.068  12.984  -0.494
  184    H    ASN  32           H        ASN  32   3.159   8.928  -0.388
  185    HA   ASN  32           HA       ASN  32   2.849   7.985  -2.842
  186   2HB   ASN  32          2HB       ASN  32   5.642   8.993  -3.195
  187   1HD2  ASN  32          1HD2      ASN  32   2.354   9.996  -4.100
  188   2HD2  ASN  32          2HD2      ASN  32   2.261   8.836  -5.355
  189    H    GLN  33           H        GLN  33   2.772   7.017  -0.418
  190    HA   GLN  33           HA       GLN  33   4.724   4.908  -0.366
  191   2HB   GLN  33          2HB       GLN  33   4.844   5.264   2.166
  192   2HG   GLN  33          2HG       GLN  33   6.092   7.586   0.648
  193   1HE2  GLN  33          1HE2      GLN  33   8.662   6.128   1.633
  194   2HE2  GLN  33          2HE2      GLN  33   8.782   6.672   3.298
  195    H    CYS  34           H        CYS  34   3.565   3.349   1.588
  196    HA   CYS  34           HA       CYS  34   0.664   3.663   1.477
  197   2HB   CYS  34          2HB       CYS  34   1.187   1.073   0.502
  198    H    ARG  35           H        ARG  35  -0.468   1.888   2.435
  199    HA   ARG  35           HA       ARG  35   1.001   0.576   4.634
  200   2HB   ARG  35          2HB       ARG  35  -0.863   1.297   6.173
  201   2HG   ARG  35          2HG       ARG  35   0.452   3.654   4.876
  202   2HD   ARG  35          2HD       ARG  35  -1.054   4.022   6.881
  203    HE   ARG  35           HE       ARG  35   0.698   1.987   7.732
  204   1HH1  ARG  35          1HH1      ARG  35  -0.970   4.798   9.013
  205   2HH1  ARG  35          2HH1      ARG  35  -1.006   4.287  10.675
  206   1HH2  ARG  35          1HH2      ARG  35   0.752   1.244  10.001
  207   2HH2  ARG  35          2HH2      ARG  35   0.020   2.206  11.242
  208    H    CYS  36           H        CYS  36  -0.129  -1.119   5.528
  209    HA   CYS  36           HA       CYS  36  -2.509  -2.152   4.005
  210   2HB   CYS  36          2HB       CYS  36  -0.015  -3.812   4.551
  211    H    TYR  37           H        TYR  37  -3.651  -3.869   5.166
  212    HA   TYR  37           HA       TYR  37  -3.854  -3.090   7.944
  213   2HB   TYR  37          2HB       TYR  37  -5.667  -3.808   6.097
  214    HD1  TYR  37           HD1      TYR  37  -4.670  -6.058   5.008
  215    HD2  TYR  37           HD2      TYR  37  -6.703  -5.843   8.810
  216    HE1  TYR  37           HE1      TYR  37  -5.435  -8.398   4.743
  217    HE2  TYR  37           HE2      TYR  37  -7.327  -8.231   8.604
  218    HH   TYR  37           HH       TYR  37  -6.494 -10.208   5.749
  Start of MODEL   13
    1   1H    PHE   1          1H        PHE   1   1.467  -6.542   8.774
    2    HA   PHE   1           HA       PHE   1   0.586  -4.455   7.045
    3   2HB   PHE   1          2HB       PHE   1  -1.148  -4.081   8.717
    4    HD1  PHE   1           HD1      PHE   1  -1.953  -6.390  10.608
    5    HD2  PHE   1           HD2      PHE   1  -0.615  -6.306   6.499
    6    HE1  PHE   1           HE1      PHE   1  -3.112  -8.531  10.178
    7    HE2  PHE   1           HE2      PHE   1  -1.662  -8.497   6.124
    8    HZ   PHE   1           HZ       PHE   1  -2.962  -9.604   7.946
    9    H    GLY   2           H        GLY   2   0.352  -2.216   7.481
   10   1HA   GLY   2          1HA       GLY   2   0.703  -0.476   9.112
   11   2HA   GLY   2          2HA       GLY   2   2.408  -0.977   9.307
   12    H    LEU   3           H        LEU   3   3.858   0.104   7.897
   13    HA   LEU   3           HA       LEU   3   2.724   1.522   5.583
   14   2HB   LEU   3          2HB       LEU   3   2.745   3.182   7.398
   15    HG   LEU   3           HG       LEU   3   5.646   2.241   7.780
   16   1HD1  LEU   3          1HD1      LEU   3   6.198   4.474   8.707
   17   2HD1  LEU   3          2HD1      LEU   3   5.858   4.559   6.974
   18   3HD1  LEU   3          3HD1      LEU   3   4.646   5.134   8.141
   19   1HD2  LEU   3          1HD2      LEU   3   3.518   3.440   9.681
   20   2HD2  LEU   3          2HD2      LEU   3   3.869   1.708   9.499
   21   3HD2  LEU   3          3HD2      LEU   3   5.109   2.799  10.130
   22    H    ILE   4           H        ILE   4   4.022   1.929   3.811
   23    HA   ILE   4           HA       ILE   4   6.653   0.678   3.743
   24    HB   ILE   4           HB       ILE   4   5.816  -0.654   1.990
   25   2HG1  ILE   4          2HG1      ILE   4   4.267   1.581   1.087
   26   1HG2  ILE   4          1HG2      ILE   4   3.249  -0.336   3.637
   27   2HG2  ILE   4          2HG2      ILE   4   3.719  -1.716   2.628
   28   3HG2  ILE   4          3HG2      ILE   4   4.645  -1.357   4.094
   29   1HD1  ILE   4          1HD1      ILE   4   4.403  -1.271   0.117
   30   2HD1  ILE   4          2HD1      ILE   4   3.902   0.172  -0.808
   31   3HD1  ILE   4          3HD1      ILE   4   5.593   0.010  -0.251
   32    H    ASP   5           H        ASP   5   7.779   1.597   1.784
   33    HA   ASP   5           HA       ASP   5   6.932   4.424   1.229
   34   2HB   ASP   5          2HB       ASP   5   9.452   4.789   1.209
   35    H    VAL   6           H        VAL   6   6.086   2.368  -0.444
   36    HA   VAL   6           HA       VAL   6   7.773   2.805  -2.881
   37    HB   VAL   6           HB       VAL   6   5.460   0.900  -2.454
   38   1HG1  VAL   6          1HG1      VAL   6   5.476   1.676  -4.777
   39   2HG1  VAL   6          2HG1      VAL   6   7.230   1.398  -4.885
   40   3HG1  VAL   6          3HG1      VAL   6   6.115   0.030  -4.696
   41   1HG2  VAL   6          1HG2      VAL   6   8.453   0.421  -2.884
   42   2HG2  VAL   6          2HG2      VAL   6   7.620   0.220  -1.336
   43   3HG2  VAL   6          3HG2      VAL   6   7.211  -0.834  -2.698
   44    H    LYS   7           H        LYS   7   7.101   4.115  -4.437
   45    HA   LYS   7           HA       LYS   7   5.362   6.221  -3.935
   46   2HB   LYS   7          2HB       LYS   7   7.018   6.665  -5.456
   47   2HG   LYS   7          2HG       LYS   7   6.602   5.300  -7.830
   48   2HD   LYS   7          2HD       LYS   7   8.616   4.739  -5.606
   49   2HE   LYS   7          2HE       LYS   7   8.689   4.014  -8.577
   50   1HZ   LYS   7          1HZ       LYS   7  10.699   3.556  -6.467
   51   2HZ   LYS   7          2HZ       LYS   7  10.784   3.014  -8.013
   52   3HZ   LYS   7          3HZ       LYS   7  10.844   4.627  -7.710
   53    H    CYS   8           H        CYS   8   3.278   6.009  -3.490
   54    HA   CYS   8           HA       CYS   8   1.325   4.314  -4.832
   55   2HB   CYS   8          2HB       CYS   8   1.291   6.109  -2.748
   56    H    PHE   9           H        PHE   9   0.781   4.491  -6.903
   57    HA   PHE   9           HA       PHE   9   0.420   7.136  -8.193
   58   2HB   PHE   9          2HB       PHE   9  -0.717   4.563  -9.270
   59    HD1  PHE   9           HD1      PHE   9  -2.055   6.462 -10.533
   60    HD2  PHE   9           HD2      PHE   9   2.215   5.935 -10.852
   61    HE1  PHE   9           HE1      PHE   9  -2.038   7.799 -12.620
   62    HE2  PHE   9           HE2      PHE   9   2.222   7.252 -12.947
   63    HZ   PHE   9           HZ       PHE   9   0.099   8.197 -13.833
   64    H    ALA  10           H        ALA  10  -1.169   4.986  -5.956
   65    HA   ALA  10           HA       ALA  10  -3.429   6.579  -5.545
   66   1HB   ALA  10          1HB       ALA  10  -5.210   5.026  -6.416
   67   2HB   ALA  10          2HB       ALA  10  -4.288   5.761  -7.728
   68   3HB   ALA  10          3HB       ALA  10  -3.954   4.086  -7.246
   69    H    SER  11           H        SER  11  -4.999   5.258  -4.063
   70    HA   SER  11           HA       SER  11  -3.587   3.625  -2.077
   71   2HB   SER  11          2HB       SER  11  -6.020   3.156  -1.394
   72    HG   SER  11           HG       SER  11  -5.139   5.858  -1.715
   73    H    SER  12           H        SER  12  -5.537   2.797  -5.008
   74    HA   SER  12           HA       SER  12  -5.905   0.107  -4.286
   75   2HB   SER  12          2HB       SER  12  -7.254   0.956  -5.997
   76    HG   SER  12           HG       SER  12  -5.124   1.750  -7.635
   77    H    GLU  13           H        GLU  13  -3.197   1.792  -5.765
   78    HA   GLU  13           HA       GLU  13  -1.387  -0.102  -6.603
   79   2HB   GLU  13          2HB       GLU  13  -0.871   1.944  -4.471
   80   2HG   GLU  13          2HG       GLU  13   1.018   0.390  -5.639
   81    H    CYS  14           H        CYS  14  -2.094   0.877  -3.210
   82    HA   CYS  14           HA       CYS  14  -0.054  -0.554  -1.921
   83   2HB   CYS  14          2HB       CYS  14  -1.167   0.184   0.029
   84    H    TRP  15           H        TRP  15  -3.272  -1.166  -3.014
   85    HA   TRP  15           HA       TRP  15  -3.827  -3.459  -1.257
   86   2HB   TRP  15          2HB       TRP  15  -5.610  -3.997  -2.804
   87    HD1  TRP  15           HD1      TRP  15  -4.820  -1.086  -0.811
   88    HE1  TRP  15           HE1      TRP  15  -6.867   0.317  -0.274
   89    HE3  TRP  15           HE3      TRP  15  -7.997  -3.100  -4.216
   90    HZ2  TRP  15           HZ2      TRP  15  -9.584   0.623  -1.320
   91    HZ3  TRP  15           HZ3      TRP  15 -10.284  -2.165  -4.529
   92    HH2  TRP  15           HH2      TRP  15 -11.097  -0.335  -3.057
   93    H    THR  16           H        THR  16  -3.085  -3.173  -4.812
   94    HA   THR  16           HA       THR  16  -2.331  -5.872  -5.175
   95    HB   THR  16           HB       THR  16  -0.890  -4.557  -7.057
   96    HG1  THR  16           HG1      THR  16  -1.375  -2.502  -6.045
   97   1HG2  THR  16          1HG2      THR  16  -2.948  -4.508  -8.435
   98   2HG2  THR  16          2HG2      THR  16  -2.838  -6.017  -7.508
   99   3HG2  THR  16          3HG2      THR  16  -3.935  -4.716  -6.977
  100    H    ALA  17           H        ALA  17  -0.393  -3.134  -3.840
  101    HA   ALA  17           HA       ALA  17   2.083  -4.546  -4.018
  102   1HB   ALA  17          1HB       ALA  17   1.269  -2.419  -1.972
  103   2HB   ALA  17          2HB       ALA  17   2.914  -2.895  -2.403
  104   3HB   ALA  17          3HB       ALA  17   1.893  -2.074  -3.597
  105    H    CYS  18           H        CYS  18  -0.228  -4.199  -1.301
  106    HA   CYS  18           HA       CYS  18   1.186  -5.909   0.468
  107   2HB   CYS  18          2HB       CYS  18  -1.814  -5.814   0.612
  108    H    LYS  19           H        LYS  19  -1.189  -6.510  -2.108
  109    HA   LYS  19           HA       LYS  19  -1.657  -9.228  -1.488
  110   2HB   LYS  19          2HB       LYS  19  -2.323  -9.210  -3.983
  111   2HG   LYS  19          2HG       LYS  19  -3.537  -7.000  -2.562
  112   2HD   LYS  19          2HD       LYS  19  -5.650  -8.183  -3.165
  113   2HE   LYS  19          2HE       LYS  19  -3.846  -7.849  -5.611
  114   1HZ   LYS  19          1HZ       LYS  19  -5.932  -8.935  -6.098
  115   2HZ   LYS  19          2HZ       LYS  19  -6.781  -7.726  -5.373
  116   3HZ   LYS  19          3HZ       LYS  19  -5.912  -7.419  -6.732
  117    H    LYS  20           H        LYS  20   0.479  -7.667  -3.827
  118    HA   LYS  20           HA       LYS  20   1.846  -9.899  -4.877
  119   2HB   LYS  20          2HB       LYS  20   3.885  -8.049  -4.689
  120   2HG   LYS  20          2HG       LYS  20   3.019  -9.119  -6.753
  121   2HD   LYS  20          2HD       LYS  20   1.168  -6.679  -6.811
  122   2HE   LYS  20          2HE       LYS  20   0.218  -7.769  -8.837
  123   1HZ   LYS  20          1HZ       LYS  20   1.994  -6.168  -9.151
  124   2HZ   LYS  20          2HZ       LYS  20   3.125  -7.364  -9.101
  125   3HZ   LYS  20          3HZ       LYS  20   2.022  -7.325 -10.316
  126    H    VAL  21           H        VAL  21   2.756  -8.016  -1.815
  127    HA   VAL  21           HA       VAL  21   4.995  -9.589  -1.290
  128    HB   VAL  21           HB       VAL  21   3.089  -7.695   0.160
  129   1HG1  VAL  21          1HG1      VAL  21   5.754  -8.737   0.995
  130   2HG1  VAL  21          2HG1      VAL  21   4.948  -7.284   1.686
  131   3HG1  VAL  21          3HG1      VAL  21   4.160  -8.869   1.800
  132   1HG2  VAL  21          1HG2      VAL  21   4.854  -6.017  -0.293
  133   2HG2  VAL  21          2HG2      VAL  21   5.911  -7.290  -0.959
  134   3HG2  VAL  21          3HG2      VAL  21   4.467  -6.785  -1.843
  135    H    THR  22           H        THR  22   1.681  -9.388   0.130
  136    HA   THR  22           HA       THR  22   2.198 -11.930   1.453
  137    HB   THR  22           HB       THR  22   2.957 -10.259   2.961
  138    HG1  THR  22           HG1      THR  22   0.560 -11.492   3.705
  139   1HG2  THR  22          1HG2      THR  22   1.691  -8.287   2.248
  140   2HG2  THR  22          2HG2      THR  22   0.176  -9.019   2.817
  141   3HG2  THR  22          3HG2      THR  22   1.449  -8.587   3.975
  142    H    GLY  23           H        GLY  23   0.177 -11.005  -0.735
  143   1HA   GLY  23          1HA       GLY  23  -1.916 -11.697  -1.335
  144   2HA   GLY  23          2HA       GLY  23  -1.990 -12.642   0.150
  145    H    SER  24           H        SER  24  -1.614 -10.049   1.726
  146    HA   SER  24           HA       SER  24  -4.476  -9.953   2.265
  147   2HB   SER  24          2HB       SER  24  -2.239  -8.568   3.777
  148    HG   SER  24           HG       SER  24  -3.805  -8.886   5.474
  149    H    GLY  25           H        GLY  25  -4.891  -8.850   0.214
  150   1HA   GLY  25          1HA       GLY  25  -3.715  -6.530  -0.600
  151   2HA   GLY  25          2HA       GLY  25  -5.277  -7.114  -1.155
  152    H    GLN  26           H        GLN  26  -4.903  -5.820   2.166
  153    HA   GLN  26           HA       GLN  26  -7.056  -3.882   1.488
  154   2HB   GLN  26          2HB       GLN  26  -7.681  -4.116   3.796
  155   2HG   GLN  26          2HG       GLN  26  -7.066  -6.894   2.700
  156   1HE2  GLN  26          1HE2      GLN  26  -9.892  -4.998   3.974
  157   2HE2  GLN  26          2HE2      GLN  26 -10.311  -6.211   5.172
  158    H    GLY  27           H        GLY  27  -6.149  -1.789   1.232
  159   1HA   GLY  27          1HA       GLY  27  -4.387  -0.746   3.329
  160   2HA   GLY  27          2HA       GLY  27  -3.603  -1.071   1.759
  161    H    LYS  28           H        LYS  28  -3.201   1.323   2.126
  162    HA   LYS  28           HA       LYS  28  -4.875   2.902   0.411
  163   2HB   LYS  28          2HB       LYS  28  -4.914   3.347   3.445
  164   2HG   LYS  28          2HG       LYS  28  -5.656   5.379   1.294
  165   2HD   LYS  28          2HD       LYS  28  -6.343   6.816   3.192
  166   2HE   LYS  28          2HE       LYS  28  -8.467   5.859   3.823
  167   1HZ   LYS  28          1HZ       LYS  28  -8.274   6.333   1.467
  168   2HZ   LYS  28          2HZ       LYS  28  -7.775   4.789   1.167
  169   3HZ   LYS  28          3HZ       LYS  28  -9.294   5.067   1.732
  170    H    CYS  29           H        CYS  29  -3.768   4.746  -0.305
  171    HA   CYS  29           HA       CYS  29  -0.881   4.482   0.253
  172   2HB   CYS  29          2HB       CYS  29  -1.756   4.812  -2.233
  173    H    GLN  30           H        GLN  30   0.378   6.277   0.917
  174    HA   GLN  30           HA       GLN  30  -1.016   8.531   2.308
  175   2HB   GLN  30          2HB       GLN  30   1.692   7.332   3.013
  176   2HG   GLN  30          2HG       GLN  30   0.898   9.680   3.846
  177   1HE2  GLN  30          1HE2      GLN  30  -1.262  10.349   4.296
  178   2HE2  GLN  30          2HE2      GLN  30  -2.217   9.681   5.605
  179    H    ASN  31           H        ASN  31  -0.631  10.227   0.795
  180    HA   ASN  31           HA       ASN  31   0.504  11.707  -0.473
  181   2HB   ASN  31          2HB       ASN  31   2.963  11.982   0.140
  182   1HD2  ASN  31          1HD2      ASN  31   3.517  13.308   2.009
  183   2HD2  ASN  31          2HD2      ASN  31   2.233  13.903   3.049
  184    H    ASN  32           H        ASN  32   3.231   9.545  -0.440
  185    HA   ASN  32           HA       ASN  32   2.535   8.092  -2.794
  186   2HB   ASN  32          2HB       ASN  32   4.534   8.578  -4.208
  187   1HD2  ASN  32          1HD2      ASN  32   2.283   8.916  -5.122
  188   2HD2  ASN  32          2HD2      ASN  32   1.670  10.555  -4.926
  189    H    GLN  33           H        GLN  33   2.673   7.319  -0.406
  190    HA   GLN  33           HA       GLN  33   4.790   5.311  -0.278
  191   2HB   GLN  33          2HB       GLN  33   4.674   5.622   2.235
  192   2HG   GLN  33          2HG       GLN  33   6.495   6.749   0.651
  193   1HE2  GLN  33          1HE2      GLN  33   7.655   8.903   2.103
  194   2HE2  GLN  33          2HE2      GLN  33   6.872  10.394   1.596
  195    H    CYS  34           H        CYS  34   3.587   3.566   1.485
  196    HA   CYS  34           HA       CYS  34   0.696   3.723   1.078
  197   2HB   CYS  34          2HB       CYS  34   1.554   1.153   0.157
  198    H    ARG  35           H        ARG  35  -0.569   2.142   2.109
  199    HA   ARG  35           HA       ARG  35   0.870   0.951   4.397
  200   2HB   ARG  35          2HB       ARG  35  -0.787   1.999   5.937
  201   2HG   ARG  35          2HG       ARG  35   0.498   3.990   4.089
  202   2HD   ARG  35          2HD       ARG  35  -0.945   5.044   5.770
  203    HE   ARG  35           HE       ARG  35   0.488   3.280   7.335
  204   1HH1  ARG  35          1HH1      ARG  35  -0.311   6.743   7.402
  205   2HH1  ARG  35          2HH1      ARG  35  -0.132   6.943   9.113
  206   1HH2  ARG  35          1HH2      ARG  35   0.713   3.527   9.705
  207   2HH2  ARG  35          2HH2      ARG  35   0.469   5.070  10.457
  208    H    CYS  36           H        CYS  36  -0.324  -0.539   5.565
  209    HA   CYS  36           HA       CYS  36  -2.531  -1.843   4.037
  210   2HB   CYS  36          2HB       CYS  36   0.089  -3.282   4.517
  211    H    TYR  37           H        TYR  37  -3.812  -3.161   5.182
  212    HA   TYR  37           HA       TYR  37  -3.612  -2.900   8.142
  213   2HB   TYR  37          2HB       TYR  37  -5.915  -3.229   6.178
  214    HD1  TYR  37           HD1      TYR  37  -7.683  -4.470   7.106
  215    HD2  TYR  37           HD2      TYR  37  -5.409  -1.824   9.645
  216    HE1  TYR  37           HE1      TYR  37  -9.230  -4.932   8.979
  217    HE2  TYR  37           HE2      TYR  37  -6.950  -2.300  11.521
  218    HH   TYR  37           HH       TYR  37  -8.820  -3.460  12.213
  Start of MODEL   14
    1   1H    PHE   1          1H        PHE   1   2.293  -5.625   9.193
    2    HA   PHE   1           HA       PHE   1   0.458  -4.675   7.276
    3   2HB   PHE   1          2HB       PHE   1  -1.258  -3.776   8.828
    4    HD1  PHE   1           HD1      PHE   1  -1.352  -6.018   6.841
    5    HD2  PHE   1           HD2      PHE   1  -2.013  -5.980  11.112
    6    HE1  PHE   1           HE1      PHE   1  -2.833  -7.980   6.644
    7    HE2  PHE   1           HE2      PHE   1  -3.527  -7.921  10.888
    8    HZ   PHE   1           HZ       PHE   1  -3.940  -8.932   8.653
    9    H    GLY   2           H        GLY   2   0.152  -2.225   7.706
   10   1HA   GLY   2          1HA       GLY   2   0.702  -0.439   9.135
   11   2HA   GLY   2          2HA       GLY   2   2.371  -1.033   9.367
   12    H    LEU   3           H        LEU   3   3.833   0.148   8.055
   13    HA   LEU   3           HA       LEU   3   2.712   1.551   5.706
   14   2HB   LEU   3          2HB       LEU   3   2.706   3.144   7.577
   15    HG   LEU   3           HG       LEU   3   5.694   2.417   7.818
   16   1HD1  LEU   3          1HD1      LEU   3   5.590   4.807   7.211
   17   2HD1  LEU   3          2HD1      LEU   3   4.371   5.125   8.465
   18   3HD1  LEU   3          3HD1      LEU   3   6.013   4.621   8.920
   19   1HD2  LEU   3          1HD2      LEU   3   3.497   3.175   9.869
   20   2HD2  LEU   3          2HD2      LEU   3   4.108   1.534   9.570
   21   3HD2  LEU   3          3HD2      LEU   3   5.182   2.764  10.237
   22    H    ILE   4           H        ILE   4   3.956   1.915   3.914
   23    HA   ILE   4           HA       ILE   4   6.541   0.561   3.812
   24    HB   ILE   4           HB       ILE   4   5.616  -0.773   2.119
   25   2HG1  ILE   4          2HG1      ILE   4   4.139   1.432   1.186
   26   1HG2  ILE   4          1HG2      ILE   4   3.555  -1.787   2.922
   27   2HG2  ILE   4          2HG2      ILE   4   4.561  -1.380   4.321
   28   3HG2  ILE   4          3HG2      ILE   4   3.152  -0.361   3.896
   29   1HD1  ILE   4          1HD1      ILE   4   3.378  -0.234  -0.486
   30   2HD1  ILE   4          2HD1      ILE   4   5.143  -0.334  -0.187
   31   3HD1  ILE   4          3HD1      ILE   4   4.034  -1.531   0.528
   32    H    ASP   5           H        ASP   5   7.612   1.210   1.630
   33    HA   ASP   5           HA       ASP   5   7.595   4.127   1.613
   34   2HB   ASP   5          2HB       ASP   5   9.654   2.749   1.880
   35    H    VAL   6           H        VAL   6   6.166   1.645  -0.383
   36    HA   VAL   6           HA       VAL   6   7.314   2.508  -2.749
   37    HB   VAL   6           HB       VAL   6   6.171   0.273  -2.194
   38   1HG1  VAL   6          1HG1      VAL   6   3.847   1.341  -1.986
   39   2HG1  VAL   6          2HG1      VAL   6   3.860   1.530  -3.746
   40   3HG1  VAL   6          3HG1      VAL   6   3.954  -0.090  -3.036
   41   1HG2  VAL   6          1HG2      VAL   6   6.002   1.449  -4.995
   42   2HG2  VAL   6          2HG2      VAL   6   7.436   0.716  -4.239
   43   3HG2  VAL   6          3HG2      VAL   6   6.006  -0.274  -4.573
   44    H    LYS   7           H        LYS   7   6.760   3.705  -4.495
   45    HA   LYS   7           HA       LYS   7   5.385   6.124  -3.976
   46   2HB   LYS   7          2HB       LYS   7   5.906   6.555  -6.413
   47   2HG   LYS   7          2HG       LYS   7   7.783   5.953  -4.165
   48   2HD   LYS   7          2HD       LYS   7   8.764   6.241  -7.036
   49   2HE   LYS   7          2HE       LYS   7  10.198   6.235  -4.323
   50   1HZ   LYS   7          1HZ       LYS   7  11.443   4.951  -5.895
   51   2HZ   LYS   7          2HZ       LYS   7  11.385   6.158  -7.018
   52   3HZ   LYS   7          3HZ       LYS   7  12.205   6.378  -5.607
   53    H    CYS   8           H        CYS   8   3.254   5.869  -3.492
   54    HA   CYS   8           HA       CYS   8   1.345   4.365  -5.049
   55   2HB   CYS   8          2HB       CYS   8   1.056   5.129  -2.821
   56    H    PHE   9           H        PHE   9   0.602   4.811  -7.071
   57    HA   PHE   9           HA       PHE   9   0.089   7.619  -7.906
   58   2HB   PHE   9          2HB       PHE   9  -1.182   6.404  -9.739
   59    HD1  PHE   9           HD1      PHE   9   0.084   7.885 -11.133
   60    HD2  PHE   9           HD2      PHE   9   2.089   4.680  -9.042
   61    HE1  PHE   9           HE1      PHE   9   2.183   8.394 -12.348
   62    HE2  PHE   9           HE2      PHE   9   4.185   5.222 -10.226
   63    HZ   PHE   9           HZ       PHE   9   4.243   7.077 -11.888
   64    H    ALA  10           H        ALA  10  -1.395   4.897  -6.152
   65    HA   ALA  10           HA       ALA  10  -3.514   6.547  -5.157
   66   1HB   ALA  10          1HB       ALA  10  -4.254   4.402  -7.208
   67   2HB   ALA  10          2HB       ALA  10  -5.407   5.272  -6.176
   68   3HB   ALA  10          3HB       ALA  10  -4.500   6.152  -7.414
   69    H    SER  11           H        SER  11  -4.823   5.319  -3.575
   70    HA   SER  11           HA       SER  11  -3.596   3.452  -1.963
   71   2HB   SER  11          2HB       SER  11  -6.017   2.905  -1.301
   72    HG   SER  11           HG       SER  11  -6.381   5.372  -1.084
   73    H    SER  12           H        SER  12  -5.455   2.631  -4.953
   74    HA   SER  12           HA       SER  12  -5.687  -0.101  -4.365
   75   2HB   SER  12          2HB       SER  12  -7.061   0.724  -6.056
   76    HG   SER  12           HG       SER  12  -4.860   1.835  -7.451
   77    H    GLU  13           H        GLU  13  -2.950   1.780  -5.442
   78    HA   GLU  13           HA       GLU  13  -1.167  -0.159  -6.479
   79   2HB   GLU  13          2HB       GLU  13  -0.645   1.967  -4.446
   80   2HG   GLU  13          2HG       GLU  13   1.211   0.458  -5.883
   81    H    CYS  14           H        CYS  14  -2.003   0.839  -3.114
   82    HA   CYS  14           HA       CYS  14   0.067  -0.554  -1.748
   83   2HB   CYS  14          2HB       CYS  14  -1.052   0.226   0.153
   84    H    TRP  15           H        TRP  15  -3.156  -1.048  -2.906
   85    HA   TRP  15           HA       TRP  15  -3.764  -3.415  -1.275
   86   2HB   TRP  15          2HB       TRP  15  -5.539  -3.860  -2.871
   87    HD1  TRP  15           HD1      TRP  15  -4.743  -1.108  -0.686
   88    HE1  TRP  15           HE1      TRP  15  -6.767   0.327  -0.122
   89    HE3  TRP  15           HE3      TRP  15  -7.879  -2.790  -4.319
   90    HZ2  TRP  15           HZ2      TRP  15  -9.456   0.739  -1.181
   91    HZ3  TRP  15           HZ3      TRP  15 -10.150  -1.812  -4.579
   92    HH2  TRP  15           HH2      TRP  15 -10.957  -0.074  -2.997
   93    H    THR  16           H        THR  16  -2.955  -3.020  -4.815
   94    HA   THR  16           HA       THR  16  -2.405  -5.767  -5.236
   95    HB   THR  16           HB       THR  16  -1.179  -4.760  -7.228
   96    HG1  THR  16           HG1      THR  16  -1.740  -2.449  -7.457
   97   1HG2  THR  16          1HG2      THR  16  -3.591  -5.408  -7.321
   98   2HG2  THR  16          2HG2      THR  16  -4.037  -3.791  -6.723
   99   3HG2  THR  16          3HG2      THR  16  -3.266  -3.973  -8.309
  100    H    ALA  17           H        ALA  17  -0.331  -3.148  -3.967
  101    HA   ALA  17           HA       ALA  17   2.104  -4.629  -4.130
  102   1HB   ALA  17          1HB       ALA  17   2.977  -2.994  -2.471
  103   2HB   ALA  17          2HB       ALA  17   2.087  -2.171  -3.755
  104   3HB   ALA  17          3HB       ALA  17   1.345  -2.399  -2.164
  105    H    CYS  18           H        CYS  18  -0.137  -4.204  -1.373
  106    HA   CYS  18           HA       CYS  18   1.286  -5.895   0.409
  107   2HB   CYS  18          2HB       CYS  18  -1.729  -5.759   0.494
  108    H    LYS  19           H        LYS  19  -1.174  -6.456  -2.061
  109    HA   LYS  19           HA       LYS  19  -1.678  -9.187  -1.533
  110   2HB   LYS  19          2HB       LYS  19  -2.274  -9.072  -4.040
  111   2HG   LYS  19          2HG       LYS  19  -3.536  -6.959  -2.452
  112   2HD   LYS  19          2HD       LYS  19  -4.428  -8.866  -4.615
  113   2HE   LYS  19          2HE       LYS  19  -6.281  -7.056  -2.995
  114   1HZ   LYS  19          1HZ       LYS  19  -7.966  -8.332  -4.088
  115   2HZ   LYS  19          2HZ       LYS  19  -7.027  -7.600  -5.216
  116   3HZ   LYS  19          3HZ       LYS  19  -6.860  -9.213  -4.918
  117    H    LYS  20           H        LYS  20   0.434  -7.577  -3.860
  118    HA   LYS  20           HA       LYS  20   1.799  -9.661  -5.015
  119   2HB   LYS  20          2HB       LYS  20   3.734  -7.576  -4.205
  120   2HG   LYS  20          2HG       LYS  20   3.702  -9.164  -6.273
  121   2HD   LYS  20          2HD       LYS  20   1.418  -8.209  -7.049
  122   2HE   LYS  20          2HE       LYS  20   3.301  -5.924  -7.873
  123   1HZ   LYS  20          1HZ       LYS  20   0.477  -6.338  -8.578
  124   2HZ   LYS  20          2HZ       LYS  20   1.373  -4.998  -8.913
  125   3HZ   LYS  20          3HZ       LYS  20   1.752  -6.434  -9.617
  126    H    VAL  21           H        VAL  21   2.880  -8.085  -1.844
  127    HA   VAL  21           HA       VAL  21   4.992  -9.871  -1.497
  128    HB   VAL  21           HB       VAL  21   3.436  -7.785   0.133
  129   1HG1  VAL  21          1HG1      VAL  21   4.663  -9.267   1.548
  130   2HG1  VAL  21          2HG1      VAL  21   6.131  -9.016   0.563
  131   3HG1  VAL  21          3HG1      VAL  21   5.411  -7.652   1.492
  132   1HG2  VAL  21          1HG2      VAL  21   6.074  -7.621  -1.403
  133   2HG2  VAL  21          2HG2      VAL  21   4.563  -6.864  -1.934
  134   3HG2  VAL  21          3HG2      VAL  21   5.340  -6.313  -0.447
  135    H    THR  22           H        THR  22   1.860  -9.333   0.230
  136    HA   THR  22           HA       THR  22   2.427 -11.794   1.749
  137    HB   THR  22           HB       THR  22   0.993 -10.984   3.462
  138    HG1  THR  22           HG1      THR  22   0.478  -8.775   1.746
  139   1HG2  THR  22          1HG2      THR  22   3.334 -10.100   3.402
  140   2HG2  THR  22          2HG2      THR  22   2.722  -8.636   2.584
  141   3HG2  THR  22          3HG2      THR  22   2.178  -9.033   4.222
  142    H    GLY  23           H        GLY  23  -0.098 -10.189  -0.154
  143   1HA   GLY  23          1HA       GLY  23  -1.883 -11.476  -1.290
  144   2HA   GLY  23          2HA       GLY  23  -1.936 -12.561   0.096
  145    H    SER  24           H        SER  24  -1.405  -9.833   1.683
  146    HA   SER  24           HA       SER  24  -4.149  -9.887   2.637
  147   2HB   SER  24          2HB       SER  24  -3.326  -8.793   4.547
  148    HG   SER  24           HG       SER  24  -1.000 -10.118   3.648
  149    H    GLY  25           H        GLY  25  -4.762  -8.923   0.449
  150   1HA   GLY  25          1HA       GLY  25  -3.663  -6.632  -0.481
  151   2HA   GLY  25          2HA       GLY  25  -5.196  -7.302  -1.006
  152    H    GLN  26           H        GLN  26  -4.943  -5.766   2.218
  153    HA   GLN  26           HA       GLN  26  -6.987  -3.794   1.341
  154   2HB   GLN  26          2HB       GLN  26  -7.740  -3.881   3.614
  155   2HG   GLN  26          2HG       GLN  26  -7.220  -6.740   2.714
  156   1HE2  GLN  26          1HE2      GLN  26  -9.820  -7.643   2.729
  157   2HE2  GLN  26          2HE2      GLN  26 -10.473  -7.506   4.351
  158    H    GLY  27           H        GLY  27  -6.267  -1.597   1.438
  159   1HA   GLY  27          1HA       GLY  27  -4.430  -0.711   3.487
  160   2HA   GLY  27          2HA       GLY  27  -3.634  -0.976   1.910
  161    H    LYS  28           H        LYS  28  -3.247   1.432   2.324
  162    HA   LYS  28           HA       LYS  28  -4.949   2.899   0.542
  163   2HB   LYS  28          2HB       LYS  28  -4.687   3.944   3.415
  164   2HG   LYS  28          2HG       LYS  28  -6.557   4.837   1.182
  165   2HD   LYS  28          2HD       LYS  28  -5.729   6.141   3.809
  166   2HE   LYS  28          2HE       LYS  28  -7.724   7.027   1.656
  167   1HZ   LYS  28          1HZ       LYS  28  -7.863   9.013   2.958
  168   2HZ   LYS  28          2HZ       LYS  28  -8.334   7.737   3.877
  169   3HZ   LYS  28          3HZ       LYS  28  -6.852   8.417   4.104
  170    H    CYS  29           H        CYS  29  -3.827   4.672  -0.355
  171    HA   CYS  29           HA       CYS  29  -0.919   4.473   0.209
  172   2HB   CYS  29          2HB       CYS  29  -1.640   4.557  -2.320
  173    H    GLN  30           H        GLN  30   0.296   6.483   0.530
  174    HA   GLN  30           HA       GLN  30  -1.210   8.803   1.612
  175   2HB   GLN  30          2HB       GLN  30   1.292   7.769   2.947
  176   2HG   GLN  30          2HG       GLN  30  -1.133   9.242   4.064
  177   1HE2  GLN  30          1HE2      GLN  30   1.970  10.277   5.074
  178   2HE2  GLN  30          2HE2      GLN  30   2.009   9.437   6.605
  179    H    ASN  31           H        ASN  31  -0.388  10.499   0.360
  180    HA   ASN  31           HA       ASN  31   1.118  11.918  -0.498
  181   2HB   ASN  31          2HB       ASN  31   3.165  10.314   1.134
  182   1HD2  ASN  31          1HD2      ASN  31   5.072  10.896   0.135
  183   2HD2  ASN  31          2HD2      ASN  31   5.496  12.571  -0.224
  184    H    ASN  32           H        ASN  32   3.461   9.358  -0.548
  185    HA   ASN  32           HA       ASN  32   2.731   8.080  -2.924
  186   2HB   ASN  32          2HB       ASN  32   4.765   8.369  -4.329
  187   1HD2  ASN  32          1HD2      ASN  32   2.528   9.013  -5.185
  188   2HD2  ASN  32          2HD2      ASN  32   2.179  10.726  -5.011
  189    H    GLN  33           H        GLN  33   2.747   7.246  -0.583
  190    HA   GLN  33           HA       GLN  33   4.808   5.214  -0.285
  191   2HB   GLN  33          2HB       GLN  33   4.608   5.649   2.220
  192   2HG   GLN  33          2HG       GLN  33   6.628   6.325   0.778
  193   1HE2  GLN  33          1HE2      GLN  33   8.196   8.294   0.933
  194   2HE2  GLN  33          2HE2      GLN  33   7.546   9.824   0.378
  195    H    CYS  34           H        CYS  34   3.550   3.581   1.506
  196    HA   CYS  34           HA       CYS  34   0.663   3.886   1.202
  197   2HB   CYS  34          2HB       CYS  34   1.317   1.221   0.372
  198    H    ARG  35           H        ARG  35  -0.599   2.221   2.231
  199    HA   ARG  35           HA       ARG  35   0.884   0.995   4.458
  200   2HB   ARG  35          2HB       ARG  35  -0.747   1.954   6.085
  201   2HG   ARG  35          2HG       ARG  35   0.471   4.007   4.260
  202   2HD   ARG  35          2HD       ARG  35  -0.970   5.063   5.923
  203    HE   ARG  35           HE       ARG  35   0.441   3.362   7.524
  204   1HH1  ARG  35          1HH1      ARG  35   0.063   6.893   7.425
  205   2HH1  ARG  35          2HH1      ARG  35   0.264   7.149   9.129
  206   1HH2  ARG  35          1HH2      ARG  35   0.716   3.692   9.879
  207   2HH2  ARG  35          2HH2      ARG  35   0.693   5.291  10.550
  208    H    CYS  36           H        CYS  36  -0.279  -0.592   5.559
  209    HA   CYS  36           HA       CYS  36  -2.457  -1.867   3.949
  210   2HB   CYS  36          2HB       CYS  36   0.148  -3.305   4.536
  211    H    TYR  37           H        TYR  37  -3.697  -3.391   5.032
  212    HA   TYR  37           HA       TYR  37  -3.505  -3.460   8.007
  213   2HB   TYR  37          2HB       TYR  37  -5.792  -2.572   6.204
  214    HD1  TYR  37           HD1      TYR  37  -5.097  -2.058   9.850
  215    HD2  TYR  37           HD2      TYR  37  -7.727  -3.788   6.896
  216    HE1  TYR  37           HE1      TYR  37  -6.815  -2.458  11.599
  217    HE2  TYR  37           HE2      TYR  37  -9.432  -4.174   8.638
  218    HH   TYR  37           HH       TYR  37  -9.993  -3.910  10.862
  Start of MODEL   15
    1   1H    PHE   1          1H        PHE   1  -1.688   0.940   8.510
    2    HA   PHE   1           HA       PHE   1  -1.559   0.091  11.134
    3   2HB   PHE   1          2HB       PHE   1  -1.871  -2.379   9.350
    4    HD1  PHE   1           HD1      PHE   1   0.318  -2.793  11.085
    5    HD2  PHE   1           HD2      PHE   1  -3.854  -2.568  12.208
    6    HE1  PHE   1           HE1      PHE   1   0.811  -3.955  13.208
    7    HE2  PHE   1           HE2      PHE   1  -3.350  -3.783  14.295
    8    HZ   PHE   1           HZ       PHE   1  -1.018  -4.457  14.816
    9    H    GLY   2           H        GLY   2  -0.588  -1.304   8.083
   10   1HA   GLY   2          1HA       GLY   2   2.159  -1.659   8.380
   11   2HA   GLY   2          2HA       GLY   2   1.322  -1.408   6.874
   12    H    LEU   3           H        LEU   3   3.934  -0.424   7.173
   13    HA   LEU   3           HA       LEU   3   3.208   1.952   5.834
   14   2HB   LEU   3          2HB       LEU   3   3.619   3.039   8.005
   15    HG   LEU   3           HG       LEU   3   6.365   1.660   7.795
   16   1HD1  LEU   3          1HD1      LEU   3   5.516   4.084   9.512
   17   2HD1  LEU   3          2HD1      LEU   3   7.075   3.237   9.599
   18   3HD1  LEU   3          3HD1      LEU   3   6.630   4.116   8.129
   19   1HD2  LEU   3          1HD2      LEU   3   4.252   1.833  10.049
   20   2HD2  LEU   3          2HD2      LEU   3   4.854   0.370   9.234
   21   3HD2  LEU   3          3HD2      LEU   3   5.920   1.278  10.297
   22    H    ILE   4           H        ILE   4   4.371   1.849   3.918
   23    HA   ILE   4           HA       ILE   4   6.817   0.160   3.882
   24    HB   ILE   4           HB       ILE   4   5.906  -0.907   1.995
   25   2HG1  ILE   4          2HG1      ILE   4   4.639   1.534   1.285
   26   1HG2  ILE   4          1HG2      ILE   4   3.435  -0.480   3.738
   27   2HG2  ILE   4          2HG2      ILE   4   3.779  -1.841   2.658
   28   3HG2  ILE   4          3HG2      ILE   4   4.769  -1.605   4.107
   29   1HD1  ILE   4          1HD1      ILE   4   4.103   0.335  -0.714
   30   2HD1  ILE   4          2HD1      ILE   4   5.738  -0.144  -0.175
   31   3HD1  ILE   4          3HD1      ILE   4   4.357  -1.233   0.096
   32    H    ASP   5           H        ASP   5   7.770   0.618   1.447
   33    HA   ASP   5           HA       ASP   5   7.169   3.367   0.611
   34   2HB   ASP   5          2HB       ASP   5  10.033   2.501   1.097
   35    H    VAL   6           H        VAL   6   5.964   2.338  -0.826
   36    HA   VAL   6           HA       VAL   6   7.519   2.110  -3.294
   37    HB   VAL   6           HB       VAL   6   5.088   0.340  -2.789
   38   1HG1  VAL   6          1HG1      VAL   6   5.466  -0.422  -5.126
   39   2HG1  VAL   6          2HG1      VAL   6   4.987   1.276  -5.054
   40   3HG1  VAL   6          3HG1      VAL   6   6.690   0.847  -5.332
   41   1HG2  VAL   6          1HG2      VAL   6   7.993  -0.331  -3.465
   42   2HG2  VAL   6          2HG2      VAL   6   7.214  -0.627  -1.902
   43   3HG2  VAL   6          3HG2      VAL   6   6.666  -1.504  -3.335
   44    H    LYS   7           H        LYS   7   6.732   3.526  -4.767
   45    HA   LYS   7           HA       LYS   7   5.315   5.685  -3.616
   46   2HB   LYS   7          2HB       LYS   7   5.574   6.614  -6.029
   47   2HG   LYS   7          2HG       LYS   7   6.985   7.400  -4.252
   48   2HD   LYS   7          2HD       LYS   7   8.636   4.869  -4.660
   49   2HE   LYS   7          2HE       LYS   7   9.226   7.426  -3.097
   50   1HZ   LYS   7          1HZ       LYS   7  10.696   4.858  -3.018
   51   2HZ   LYS   7          2HZ       LYS   7  11.153   6.247  -2.273
   52   3HZ   LYS   7          3HZ       LYS   7   9.797   5.484  -1.837
   53    H    CYS   8           H        CYS   8   3.235   5.949  -3.395
   54    HA   CYS   8           HA       CYS   8   1.201   4.357  -4.728
   55   2HB   CYS   8          2HB       CYS   8   1.270   5.924  -2.522
   56    H    PHE   9           H        PHE   9   0.583   4.640  -6.718
   57    HA   PHE   9           HA       PHE   9   0.199   7.319  -7.945
   58   2HB   PHE   9          2HB       PHE   9  -1.427   5.531  -9.303
   59    HD1  PHE   9           HD1      PHE   9   2.086   4.758  -9.973
   60    HD2  PHE   9           HD2      PHE   9  -1.066   7.642 -10.584
   61    HE1  PHE   9           HE1      PHE   9   3.337   5.733 -11.878
   62    HE2  PHE   9           HE2      PHE   9   0.195   8.615 -12.483
   63    HZ   PHE   9           HZ       PHE   9   2.397   7.661 -13.137
   64    H    ALA  10           H        ALA  10  -1.315   5.048  -5.717
   65    HA   ALA  10           HA       ALA  10  -3.469   6.666  -5.007
   66   1HB   ALA  10          1HB       ALA  10  -4.442   6.280  -7.258
   67   2HB   ALA  10          2HB       ALA  10  -4.178   4.531  -7.084
   68   3HB   ALA  10          3HB       ALA  10  -5.357   5.369  -6.057
   69    H    SER  11           H        SER  11  -4.715   5.617  -3.366
   70    HA   SER  11           HA       SER  11  -3.616   3.602  -1.821
   71   2HB   SER  11          2HB       SER  11  -6.049   3.326  -1.015
   72    HG   SER  11           HG       SER  11  -6.046   5.684  -0.411
   73    H    SER  12           H        SER  12  -5.806   3.185  -4.626
   74    HA   SER  12           HA       SER  12  -6.418   0.495  -4.090
   75   2HB   SER  12          2HB       SER  12  -7.854   1.595  -5.554
   76    HG   SER  12           HG       SER  12  -5.750   2.508  -7.200
   77    H    GLU  13           H        GLU  13  -3.445   1.937  -5.238
   78    HA   GLU  13           HA       GLU  13  -2.511  -0.408  -6.684
   79   2HB   GLU  13          2HB       GLU  13  -0.783   1.503  -5.255
   80   2HG   GLU  13          2HG       GLU  13   0.578   1.410  -7.371
   81    H    CYS  14           H        CYS  14  -1.929   1.075  -3.448
   82    HA   CYS  14           HA       CYS  14  -0.078  -0.502  -2.266
   83   2HB   CYS  14          2HB       CYS  14  -1.000   0.240  -0.217
   84    H    TRP  15           H        TRP  15  -3.327  -1.132  -3.065
   85    HA   TRP  15           HA       TRP  15  -3.822  -3.472  -1.354
   86   2HB   TRP  15          2HB       TRP  15  -5.633  -3.972  -2.924
   87    HD1  TRP  15           HD1      TRP  15  -4.768  -1.159  -0.804
   88    HE1  TRP  15           HE1      TRP  15  -6.726   0.291  -0.220
   89    HE3  TRP  15           HE3      TRP  15  -8.022  -2.953  -4.262
   90    HZ2  TRP  15           HZ2      TRP  15  -9.487   0.692  -1.199
   91    HZ3  TRP  15           HZ3      TRP  15 -10.331  -2.015  -4.440
   92    HH2  TRP  15           HH2      TRP  15 -11.063  -0.200  -2.910
   93    H    THR  16           H        THR  16  -3.206  -3.254  -4.946
   94    HA   THR  16           HA       THR  16  -2.421  -5.943  -5.265
   95    HB   THR  16           HB       THR  16  -1.205  -4.660  -7.324
   96    HG1  THR  16           HG1      THR  16  -1.586  -2.562  -6.813
   97   1HG2  THR  16          1HG2      THR  16  -3.374  -4.810  -8.507
   98   2HG2  THR  16          2HG2      THR  16  -3.090  -6.253  -7.516
   99   3HG2  THR  16          3HG2      THR  16  -4.216  -4.989  -6.956
  100    H    ALA  17           H        ALA  17  -0.518  -3.064  -4.160
  101    HA   ALA  17           HA       ALA  17   1.985  -4.399  -4.373
  102   1HB   ALA  17          1HB       ALA  17   1.694  -1.950  -3.896
  103   2HB   ALA  17          2HB       ALA  17   1.196  -2.374  -2.243
  104   3HB   ALA  17          3HB       ALA  17   2.829  -2.765  -2.801
  105    H    CYS  18           H        CYS  18  -0.263  -4.195  -1.576
  106    HA   CYS  18           HA       CYS  18   1.258  -5.819   0.162
  107   2HB   CYS  18          2HB       CYS  18  -1.746  -5.816   0.310
  108    H    LYS  19           H        LYS  19  -1.117  -6.539  -2.374
  109    HA   LYS  19           HA       LYS  19  -1.423  -9.277  -1.854
  110   2HB   LYS  19          2HB       LYS  19  -2.170  -9.314  -4.224
  111   2HG   LYS  19          2HG       LYS  19  -3.304  -7.029  -2.815
  112   2HD   LYS  19          2HD       LYS  19  -4.288  -7.928  -5.065
  113   2HE   LYS  19          2HE       LYS  19  -5.185 -10.089  -3.067
  114   1HZ   LYS  19          1HZ       LYS  19  -6.405 -10.985  -4.892
  115   2HZ   LYS  19          2HZ       LYS  19  -6.950  -9.472  -4.569
  116   3HZ   LYS  19          3HZ       LYS  19  -5.985  -9.741  -5.879
  117    H    LYS  20           H        LYS  20   0.642  -7.496  -4.069
  118    HA   LYS  20           HA       LYS  20   2.099  -9.565  -5.285
  119   2HB   LYS  20          2HB       LYS  20   4.030  -7.547  -4.820
  120   2HG   LYS  20          2HG       LYS  20   3.520  -8.685  -6.976
  121   2HD   LYS  20          2HD       LYS  20   1.330  -6.540  -7.141
  122   2HE   LYS  20          2HE       LYS  20   0.745  -7.681  -9.285
  123   1HZ   LYS  20          1HZ       LYS  20   3.552  -6.785  -9.264
  124   2HZ   LYS  20          2HZ       LYS  20   2.571  -6.876 -10.576
  125   3HZ   LYS  20          3HZ       LYS  20   2.240  -5.794  -9.382
  126    H    VAL  21           H        VAL  21   3.119  -7.834  -2.247
  127    HA   VAL  21           HA       VAL  21   5.214  -9.699  -1.781
  128    HB   VAL  21           HB       VAL  21   4.426  -8.722   0.714
  129   1HG1  VAL  21          1HG1      VAL  21   6.333  -7.550  -1.353
  130   2HG1  VAL  21          2HG1      VAL  21   6.434  -7.228   0.397
  131   3HG1  VAL  21          3HG1      VAL  21   6.750  -8.865  -0.221
  132   1HG2  VAL  21          1HG2      VAL  21   2.849  -7.178  -0.293
  133   2HG2  VAL  21          2HG2      VAL  21   4.151  -6.368   0.579
  134   3HG2  VAL  21          3HG2      VAL  21   4.188  -6.397  -1.190
  135    H    THR  22           H        THR  22   2.003  -9.472  -0.162
  136    HA   THR  22           HA       THR  22   2.599 -12.133   1.106
  137    HB   THR  22           HB       THR  22   1.016 -11.466   2.817
  138    HG1  THR  22           HG1      THR  22   0.827  -9.015   1.366
  139   1HG2  THR  22          1HG2      THR  22   2.312  -9.773   3.928
  140   2HG2  THR  22          2HG2      THR  22   3.431 -10.830   3.044
  141   3HG2  THR  22          3HG2      THR  22   3.028  -9.218   2.409
  142    H    GLY  23           H        GLY  23   0.100 -10.235  -0.436
  143   1HA   GLY  23          1HA       GLY  23  -1.682 -11.474  -1.828
  144   2HA   GLY  23          2HA       GLY  23  -1.727 -12.653  -0.528
  145    H    SER  24           H        SER  24  -1.211 -10.113   1.298
  146    HA   SER  24           HA       SER  24  -3.947 -10.176   2.271
  147   2HB   SER  24          2HB       SER  24  -1.429  -8.750   3.241
  148    HG   SER  24           HG       SER  24  -3.254  -7.822   4.082
  149    H    GLY  25           H        GLY  25  -4.540  -9.098   0.072
  150   1HA   GLY  25          1HA       GLY  25  -3.552  -6.751  -0.787
  151   2HA   GLY  25          2HA       GLY  25  -5.109  -7.395  -1.261
  152    H    GLN  26           H        GLN  26  -4.853  -6.145   2.066
  153    HA   GLN  26           HA       GLN  26  -6.899  -4.127   1.327
  154   2HB   GLN  26          2HB       GLN  26  -7.745  -4.459   3.525
  155   2HG   GLN  26          2HG       GLN  26  -7.060  -7.199   2.383
  156   1HE2  GLN  26          1HE2      GLN  26  -9.585  -8.254   2.278
  157   2HE2  GLN  26          2HE2      GLN  26 -10.254  -8.312   3.899
  158    H    GLY  27           H        GLY  27  -5.883  -2.125   1.179
  159   1HA   GLY  27          1HA       GLY  27  -4.342  -1.113   3.486
  160   2HA   GLY  27          2HA       GLY  27  -3.475  -1.339   1.937
  161    H    LYS  28           H        LYS  28  -3.173   1.054   2.375
  162    HA   LYS  28           HA       LYS  28  -4.785   2.498   0.523
  163   2HB   LYS  28          2HB       LYS  28  -5.112   4.491   2.062
  164   2HG   LYS  28          2HG       LYS  28  -6.963   2.600   1.564
  165   2HD   LYS  28          2HD       LYS  28  -7.108   3.104   4.568
  166   2HE   LYS  28          2HE       LYS  28  -9.127   2.424   3.070
  167   1HZ   LYS  28          1HZ       LYS  28  -9.317   0.177   2.558
  168   2HZ   LYS  28          2HZ       LYS  28  -7.743   0.496   2.139
  169   3HZ   LYS  28          3HZ       LYS  28  -8.073  -0.274   3.536
  170    H    CYS  29           H        CYS  29  -3.711   4.622   0.012
  171    HA   CYS  29           HA       CYS  29  -0.805   4.240   0.407
  172   2HB   CYS  29          2HB       CYS  29  -1.812   4.839  -2.051
  173    H    GLN  30           H        GLN  30   0.455   6.264   0.886
  174    HA   GLN  30           HA       GLN  30  -1.069   8.459   2.090
  175   2HB   GLN  30          2HB       GLN  30   1.352   7.352   3.520
  176   2HG   GLN  30          2HG       GLN  30  -0.827   9.358   4.121
  177   1HE2  GLN  30          1HE2      GLN  30  -1.322  10.106   6.219
  178   2HE2  GLN  30          2HE2      GLN  30  -1.075   9.084   7.616
  179    H    ASN  31           H        ASN  31  -0.356  10.162   0.933
  180    HA   ASN  31           HA       ASN  31   1.030  11.708   0.127
  181   2HB   ASN  31          2HB       ASN  31   3.427  10.253   1.386
  182   1HD2  ASN  31          1HD2      ASN  31   1.916  13.478   1.817
  183   2HD2  ASN  31          2HD2      ASN  31   3.294  14.337   1.146
  184    H    ASN  32           H        ASN  32   3.392   9.154  -0.193
  185    HA   ASN  32           HA       ASN  32   2.605   8.034  -2.593
  186   2HB   ASN  32          2HB       ASN  32   4.630   8.479  -4.044
  187   1HD2  ASN  32          1HD2      ASN  32   2.268   8.932  -4.791
  188   2HD2  ASN  32          2HD2      ASN  32   1.778  10.600  -4.522
  189    H    GLN  33           H        GLN  33   2.874   7.170  -0.166
  190    HA   GLN  33           HA       GLN  33   4.823   5.027  -0.452
  191   2HB   GLN  33          2HB       GLN  33   4.939   5.038   2.106
  192   2HG   GLN  33          2HG       GLN  33   6.234   7.458   0.788
  193   1HE2  GLN  33          1HE2      GLN  33   6.937   4.741   3.123
  194   2HE2  GLN  33          2HE2      GLN  33   7.695   5.805   4.301
  195    H    CYS  34           H        CYS  34   3.658   3.334   1.469
  196    HA   CYS  34           HA       CYS  34   0.792   3.660   1.364
  197   2HB   CYS  34          2HB       CYS  34   1.378   1.065   0.256
  198    H    ARG  35           H        ARG  35  -0.351   1.759   2.204
  199    HA   ARG  35           HA       ARG  35   1.084   0.566   4.497
  200   2HB   ARG  35          2HB       ARG  35  -0.473   1.546   6.066
  201   2HG   ARG  35          2HG       ARG  35   0.265   3.671   4.093
  202   2HD   ARG  35          2HD       ARG  35  -0.928   4.621   6.006
  203    HE   ARG  35           HE       ARG  35   0.678   2.798   7.251
  204   1HH1  ARG  35          1HH1      ARG  35   0.479   6.297   7.720
  205   2HH1  ARG  35          2HH1      ARG  35   0.929   6.242   9.404
  206   1HH2  ARG  35          1HH2      ARG  35   1.316   2.660   9.314
  207   2HH2  ARG  35          2HH2      ARG  35   1.437   4.039  10.397
  208    H    CYS  36           H        CYS  36  -0.151  -0.991   5.523
  209    HA   CYS  36           HA       CYS  36  -2.485  -2.163   4.082
  210   2HB   CYS  36          2HB       CYS  36   0.128  -3.683   4.390
  211    H    TYR  37           H        TYR  37  -3.647  -3.659   5.298
  212    HA   TYR  37           HA       TYR  37  -3.665  -2.864   8.015
  213   2HB   TYR  37          2HB       TYR  37  -5.576  -3.644   6.360
  214    HD1  TYR  37           HD1      TYR  37  -6.629  -5.583   9.081
  215    HD2  TYR  37           HD2      TYR  37  -4.522  -5.967   5.338
  216    HE1  TYR  37           HE1      TYR  37  -7.436  -7.904   8.868
  217    HE2  TYR  37           HE2      TYR  37  -5.476  -8.248   5.058
  218    HH   TYR  37           HH       TYR  37  -7.557  -9.769   7.518
  Start of MODEL   16
    1   1H    PHE   1          1H        PHE   1  -2.858   0.931   9.140
    2    HA   PHE   1           HA       PHE   1  -1.424   0.103  10.710
    3   2HB   PHE   1          2HB       PHE   1  -1.859  -2.465   9.140
    4    HD1  PHE   1           HD1      PHE   1   0.285  -3.539   9.838
    5    HD2  PHE   1           HD2      PHE   1  -2.550  -1.995  12.706
    6    HE1  PHE   1           HE1      PHE   1   1.327  -4.908  11.616
    7    HE2  PHE   1           HE2      PHE   1  -1.539  -3.416  14.461
    8    HZ   PHE   1           HZ       PHE   1   0.405  -4.869  13.924
    9    H    GLY   2           H        GLY   2  -0.352  -1.809   7.995
   10   1HA   GLY   2          1HA       GLY   2   2.386  -1.813   8.276
   11   2HA   GLY   2          2HA       GLY   2   1.551  -1.937   6.740
   12    H    LEU   3           H        LEU   3   4.169  -0.606   7.062
   13    HA   LEU   3           HA       LEU   3   3.302   1.668   5.539
   14   2HB   LEU   3          2HB       LEU   3   3.564   2.765   7.721
   15    HG   LEU   3           HG       LEU   3   6.433   1.663   7.506
   16   1HD1  LEU   3          1HD1      LEU   3   7.031   3.362   9.237
   17   2HD1  LEU   3          2HD1      LEU   3   6.524   4.130   7.728
   18   3HD1  LEU   3          3HD1      LEU   3   5.417   4.096   9.118
   19   1HD2  LEU   3          1HD2      LEU   3   4.382   1.817   9.826
   20   2HD2  LEU   3          2HD2      LEU   3   4.956   0.345   9.010
   21   3HD2  LEU   3          3HD2      LEU   3   6.068   1.292   9.994
   22    H    ILE   4           H        ILE   4   4.370   1.790   3.661
   23    HA   ILE   4           HA       ILE   4   6.917   0.375   3.364
   24    HB   ILE   4           HB       ILE   4   5.887  -0.933   1.693
   25   2HG1  ILE   4          2HG1      ILE   4   4.317   1.293   0.944
   26   1HG2  ILE   4          1HG2      ILE   4   5.010  -1.644   3.929
   27   2HG2  ILE   4          2HG2      ILE   4   3.567  -0.622   3.672
   28   3HG2  ILE   4          3HG2      ILE   4   3.893  -2.003   2.606
   29   1HD1  ILE   4          1HD1      ILE   4   4.094  -1.610   0.135
   30   2HD1  ILE   4          2HD1      ILE   4   3.541  -0.186  -0.787
   31   3HD1  ILE   4          3HD1      ILE   4   5.286  -0.445  -0.503
   32    H    ASP   5           H        ASP   5   7.930   1.101   1.390
   33    HA   ASP   5           HA       ASP   5   7.684   4.008   1.200
   34   2HB   ASP   5          2HB       ASP   5   9.982   3.894   0.434
   35    H    VAL   6           H        VAL   6   6.123   1.871  -0.667
   36    HA   VAL   6           HA       VAL   6   7.292   2.486  -3.252
   37    HB   VAL   6           HB       VAL   6   4.816   0.924  -2.496
   38   1HG1  VAL   6          1HG1      VAL   6   6.145   1.287  -5.218
   39   2HG1  VAL   6          2HG1      VAL   6   4.928   0.054  -4.832
   40   3HG1  VAL   6          3HG1      VAL   6   4.488   1.761  -4.772
   41   1HG2  VAL   6          1HG2      VAL   6   6.250  -1.008  -3.064
   42   2HG2  VAL   6          2HG2      VAL   6   7.574   0.076  -3.531
   43   3HG2  VAL   6          3HG2      VAL   6   7.084  -0.038  -1.837
   44    H    LYS   7           H        LYS   7   6.653   3.826  -4.773
   45    HA   LYS   7           HA       LYS   7   5.338   6.238  -4.115
   46   2HB   LYS   7          2HB       LYS   7   5.462   6.577  -6.656
   47   2HG   LYS   7          2HG       LYS   7   7.070   7.569  -5.104
   48   2HD   LYS   7          2HD       LYS   7   8.636   4.985  -5.546
   49   2HE   LYS   7          2HE       LYS   7   9.466   7.618  -4.227
   50   1HZ   LYS   7          1HZ       LYS   7  11.010   5.133  -4.564
   51   2HZ   LYS   7          2HZ       LYS   7  11.552   6.536  -3.906
   52   3HZ   LYS   7          3HZ       LYS   7  10.381   5.669  -3.139
   53    H    CYS   8           H        CYS   8   3.278   5.928  -3.397
   54    HA   CYS   8           HA       CYS   8   1.110   4.615  -4.778
   55   2HB   CYS   8          2HB       CYS   8   1.330   6.446  -2.592
   56    H    PHE   9           H        PHE   9   0.585   5.012  -6.742
   57    HA   PHE   9           HA       PHE   9   0.025   7.765  -7.749
   58   2HB   PHE   9          2HB       PHE   9  -1.311   6.129  -9.429
   59    HD1  PHE   9           HD1      PHE   9  -0.863   7.936 -10.905
   60    HD2  PHE   9           HD2      PHE   9   2.398   5.641  -9.257
   61    HE1  PHE   9           HE1      PHE   9   0.695   9.005 -12.502
   62    HE2  PHE   9           HE2      PHE   9   3.954   6.711 -10.868
   63    HZ   PHE   9           HZ       PHE   9   3.105   8.392 -12.493
   64    H    ALA  10           H        ALA  10  -1.297   5.282  -5.686
   65    HA   ALA  10           HA       ALA  10  -3.656   6.613  -5.064
   66   1HB   ALA  10          1HB       ALA  10  -4.050   4.421  -7.161
   67   2HB   ALA  10          2HB       ALA  10  -5.348   5.101  -6.160
   68   3HB   ALA  10          3HB       ALA  10  -4.518   6.125  -7.333
   69    H    SER  11           H        SER  11  -4.722   5.490  -3.380
   70    HA   SER  11           HA       SER  11  -3.497   3.543  -1.845
   71   2HB   SER  11          2HB       SER  11  -5.914   3.205  -0.986
   72    HG   SER  11           HG       SER  11  -6.037   5.578  -0.544
   73    H    SER  12           H        SER  12  -5.547   2.921  -4.722
   74    HA   SER  12           HA       SER  12  -5.974   0.193  -4.146
   75   2HB   SER  12          2HB       SER  12  -7.383   1.171  -5.731
   76    HG   SER  12           HG       SER  12  -5.216   2.109  -7.281
   77    H    GLU  13           H        GLU  13  -3.153   1.901  -5.378
   78    HA   GLU  13           HA       GLU  13  -1.738  -0.196  -6.681
   79   2HB   GLU  13          2HB       GLU  13  -0.722   1.860  -4.766
   80   2HG   GLU  13          2HG       GLU  13   1.143   2.171  -6.510
   81    H    CYS  14           H        CYS  14  -1.760   0.961  -3.319
   82    HA   CYS  14           HA       CYS  14   0.129  -0.576  -2.081
   83   2HB   CYS  14          2HB       CYS  14  -0.898   0.180  -0.082
   84    H    TRP  15           H        TRP  15  -3.129  -1.162  -3.016
   85    HA   TRP  15           HA       TRP  15  -3.663  -3.429  -1.210
   86   2HB   TRP  15          2HB       TRP  15  -5.499  -3.966  -2.731
   87    HD1  TRP  15           HD1      TRP  15  -4.614  -1.176  -0.642
   88    HE1  TRP  15           HE1      TRP  15  -6.623   0.231   0.024
   89    HE3  TRP  15           HE3      TRP  15  -7.922  -2.963  -4.054
   90    HZ2  TRP  15           HZ2      TRP  15  -9.368   0.617  -0.910
   91    HZ3  TRP  15           HZ3      TRP  15 -10.231  -2.032  -4.195
   92    HH2  TRP  15           HH2      TRP  15 -10.964  -0.258  -2.617
   93    H    THR  16           H        THR  16  -3.131  -3.309  -4.806
   94    HA   THR  16           HA       THR  16  -2.372  -6.005  -5.082
   95    HB   THR  16           HB       THR  16  -1.060  -4.736  -7.114
   96    HG1  THR  16           HG1      THR  16  -1.625  -2.660  -6.170
   97   1HG2  THR  16          1HG2      THR  16  -3.190  -4.883  -8.374
   98   2HG2  THR  16          2HG2      THR  16  -2.934  -6.329  -7.378
   99   3HG2  THR  16          3HG2      THR  16  -4.083  -5.068  -6.851
  100    H    ALA  17           H        ALA  17  -0.365  -3.180  -3.997
  101    HA   ALA  17           HA       ALA  17   2.087  -4.600  -4.227
  102   1HB   ALA  17          1HB       ALA  17   1.368  -2.505  -2.111
  103   2HB   ALA  17          2HB       ALA  17   2.987  -2.960  -2.648
  104   3HB   ALA  17          3HB       ALA  17   1.892  -2.124  -3.761
  105    H    CYS  18           H        CYS  18  -0.181  -4.340  -1.471
  106    HA   CYS  18           HA       CYS  18   1.315  -6.055   0.242
  107   2HB   CYS  18          2HB       CYS  18  -1.690  -5.925   0.453
  108    H    LYS  19           H        LYS  19  -1.143  -6.625  -2.293
  109    HA   LYS  19           HA       LYS  19  -1.653  -9.329  -1.654
  110   2HB   LYS  19          2HB       LYS  19  -2.331  -9.405  -4.063
  111   2HG   LYS  19          2HG       LYS  19  -3.337  -7.012  -2.752
  112   2HD   LYS  19          2HD       LYS  19  -4.240  -7.658  -5.085
  113   2HE   LYS  19          2HE       LYS  19  -5.391  -9.934  -3.370
  114   1HZ   LYS  19          1HZ       LYS  19  -6.595 -10.536  -5.330
  115   2HZ   LYS  19          2HZ       LYS  19  -7.054  -9.035  -4.846
  116   3HZ   LYS  19          3HZ       LYS  19  -6.059  -9.214  -6.148
  117    H    LYS  20           H        LYS  20   0.510  -7.767  -3.965
  118    HA   LYS  20           HA       LYS  20   1.809 -10.024  -4.972
  119   2HB   LYS  20          2HB       LYS  20   3.192  -7.341  -4.588
  120   2HG   LYS  20          2HG       LYS  20   4.353  -9.383  -5.721
  121   2HD   LYS  20          2HD       LYS  20   2.618  -8.436  -8.062
  122   2HE   LYS  20          2HE       LYS  20   3.366 -10.547  -9.118
  123   1HZ   LYS  20          1HZ       LYS  20   4.867  -8.673  -9.352
  124   2HZ   LYS  20          2HZ       LYS  20   5.695  -9.125  -8.003
  125   3HZ   LYS  20          3HZ       LYS  20   5.693 -10.093  -9.329
  126    H    VAL  21           H        VAL  21   2.755  -8.097  -1.958
  127    HA   VAL  21           HA       VAL  21   5.103  -9.548  -1.475
  128    HB   VAL  21           HB       VAL  21   3.074  -7.803  -0.013
  129   1HG1  VAL  21          1HG1      VAL  21   3.981  -9.045   1.645
  130   2HG1  VAL  21          2HG1      VAL  21   5.650  -8.876   1.007
  131   3HG1  VAL  21          3HG1      VAL  21   4.770  -7.458   1.685
  132   1HG2  VAL  21          1HG2      VAL  21   5.964  -7.260  -0.875
  133   2HG2  VAL  21          2HG2      VAL  21   4.576  -6.769  -1.857
  134   3HG2  VAL  21          3HG2      VAL  21   4.807  -6.063  -0.246
  135    H    THR  22           H        THR  22   1.801  -9.564  -0.054
  136    HA   THR  22           HA       THR  22   2.490 -12.108   1.234
  137    HB   THR  22           HB       THR  22   2.581 -10.650   2.943
  138    HG1  THR  22           HG1      THR  22   0.935 -11.278   4.250
  139   1HG2  THR  22          1HG2      THR  22  -0.001  -9.290   2.095
  140   2HG2  THR  22          2HG2      THR  22   0.918  -8.959   3.568
  141   3HG2  THR  22          3HG2      THR  22   1.635  -8.598   1.998
  142    H    GLY  23           H        GLY  23  -0.202 -10.245  -0.175
  143   1HA   GLY  23          1HA       GLY  23  -1.780 -11.642  -1.601
  144   2HA   GLY  23          2HA       GLY  23  -1.906 -12.743  -0.238
  145    H    SER  24           H        SER  24  -1.671 -10.312   1.535
  146    HA   SER  24           HA       SER  24  -4.553 -10.156   2.076
  147   2HB   SER  24          2HB       SER  24  -2.098  -9.106   3.550
  148    HG   SER  24           HG       SER  24  -3.888  -7.841   3.989
  149    H    GLY  25           H        GLY  25  -4.838  -9.040  -0.029
  150   1HA   GLY  25          1HA       GLY  25  -3.676  -6.654  -0.746
  151   2HA   GLY  25          2HA       GLY  25  -5.215  -7.252  -1.348
  152    H    GLN  26           H        GLN  26  -4.762  -6.067   1.998
  153    HA   GLN  26           HA       GLN  26  -6.992  -4.152   1.570
  154   2HB   GLN  26          2HB       GLN  26  -7.419  -4.580   3.963
  155   2HG   GLN  26          2HG       GLN  26  -6.950  -7.246   2.561
  156   1HE2  GLN  26          1HE2      GLN  26  -9.668  -8.058   2.721
  157   2HE2  GLN  26          2HE2      GLN  26 -10.057  -8.251   4.421
  158    H    GLY  27           H        GLY  27  -6.162  -1.974   1.578
  159   1HA   GLY  27          1HA       GLY  27  -4.353  -1.136   3.679
  160   2HA   GLY  27          2HA       GLY  27  -3.537  -1.369   2.108
  161    H    LYS  28           H        LYS  28  -3.136   0.998   2.417
  162    HA   LYS  28           HA       LYS  28  -4.607   2.228   0.414
  163   2HB   LYS  28          2HB       LYS  28  -6.334   2.811   2.158
  164   2HG   LYS  28          2HG       LYS  28  -3.894   3.686   3.667
  165   2HD   LYS  28          2HD       LYS  28  -6.533   5.079   4.170
  166   2HE   LYS  28          2HE       LYS  28  -4.726   5.249   5.899
  167   1HZ   LYS  28          1HZ       LYS  28  -2.826   6.711   5.228
  168   2HZ   LYS  28          2HZ       LYS  28  -2.761   5.192   4.600
  169   3HZ   LYS  28          3HZ       LYS  28  -3.197   6.429   3.642
  170    H    CYS  29           H        CYS  29  -3.693   4.541  -0.021
  171    HA   CYS  29           HA       CYS  29  -0.802   4.174   0.467
  172   2HB   CYS  29          2HB       CYS  29  -1.723   4.771  -1.946
  173    H    GLN  30           H        GLN  30   0.449   6.310   0.794
  174    HA   GLN  30           HA       GLN  30  -0.923   8.371   2.385
  175   2HB   GLN  30          2HB       GLN  30   1.702   7.326   3.413
  176   2HG   GLN  30          2HG       GLN  30  -0.786   8.349   4.855
  177   1HE2  GLN  30          1HE2      GLN  30   2.734   8.613   5.504
  178   2HE2  GLN  30          2HE2      GLN  30   2.678   7.801   7.051
  179    H    ASN  31           H        ASN  31  -0.222  10.214   1.226
  180    HA   ASN  31           HA       ASN  31   1.188  11.713   0.355
  181   2HB   ASN  31          2HB       ASN  31   3.408   9.974   1.589
  182   1HD2  ASN  31          1HD2      ASN  31   5.395  10.963   1.860
  183   2HD2  ASN  31          2HD2      ASN  31   5.774  12.509   1.096
  184    H    ASN  32           H        ASN  32   3.492   9.191  -0.176
  185    HA   ASN  32           HA       ASN  32   2.585   8.171  -2.602
  186   2HB   ASN  32          2HB       ASN  32   4.518   8.599  -4.110
  187   1HD2  ASN  32          1HD2      ASN  32   2.215   9.257  -4.742
  188   2HD2  ASN  32          2HD2      ASN  32   1.838  10.940  -4.381
  189    H    GLN  33           H        GLN  33   2.853   7.152  -0.273
  190    HA   GLN  33           HA       GLN  33   4.956   5.131  -0.307
  191   2HB   GLN  33          2HB       GLN  33   4.980   5.359   2.208
  192   2HG   GLN  33          2HG       GLN  33   6.750   6.530   0.634
  193   1HE2  GLN  33          1HE2      GLN  33   6.405   8.374  -0.709
  194   2HE2  GLN  33          2HE2      GLN  33   6.159   9.993  -0.050
  195    H    CYS  34           H        CYS  34   3.776   3.351   1.456
  196    HA   CYS  34           HA       CYS  34   0.884   3.677   1.316
  197   2HB   CYS  34          2HB       CYS  34   1.483   1.074   0.260
  198    H    ARG  35           H        ARG  35  -0.342   1.838   2.193
  199    HA   ARG  35           HA       ARG  35   1.101   0.632   4.484
  200   2HB   ARG  35          2HB       ARG  35  -0.675   1.557   5.988
  201   2HG   ARG  35          2HG       ARG  35   0.555   3.697   4.286
  202   2HD   ARG  35          2HD       ARG  35  -0.662   4.584   6.257
  203    HE   ARG  35           HE       ARG  35   0.735   2.475   7.368
  204   1HH1  ARG  35          1HH1      ARG  35   0.456   5.918   8.105
  205   2HH1  ARG  35          2HH1      ARG  35   0.765   5.761   9.811
  206   1HH2  ARG  35          1HH2      ARG  35   1.025   2.175   9.683
  207   2HH2  ARG  35          2HH2      ARG  35   1.150   3.555  10.733
  208    H    CYS  36           H        CYS  36  -0.002  -0.995   5.500
  209    HA   CYS  36           HA       CYS  36  -2.287  -2.175   3.968
  210   2HB   CYS  36          2HB       CYS  36   0.312  -3.661   4.363
  211    H    TYR  37           H        TYR  37  -3.688  -3.263   5.073
  212    HA   TYR  37           HA       TYR  37  -3.560  -3.410   7.993
  213   2HB   TYR  37          2HB       TYR  37  -5.929  -4.134   7.699
  214    HD1  TYR  37           HD1      TYR  37  -4.954  -1.634   8.634
  215    HD2  TYR  37           HD2      TYR  37  -6.753  -2.505   4.813
  216    HE1  TYR  37           HE1      TYR  37  -5.459   0.757   8.322
  217    HE2  TYR  37           HE2      TYR  37  -7.200  -0.104   4.475
  218    HH   TYR  37           HH       TYR  37  -6.543   2.318   7.009
  Start of MODEL   17
    1   1H    PHE   1          1H        PHE   1  -1.976  -0.726   8.032
    2    HA   PHE   1           HA       PHE   1  -1.171  -0.565  10.873
    3   2HB   PHE   1          2HB       PHE   1  -1.676  -3.108   9.255
    4    HD1  PHE   1           HD1      PHE   1  -3.250  -2.778  12.439
    5    HD2  PHE   1           HD2      PHE   1   0.544  -3.798  10.631
    6    HE1  PHE   1           HE1      PHE   1  -2.572  -3.948  14.508
    7    HE2  PHE   1           HE2      PHE   1   1.229  -4.910  12.732
    8    HZ   PHE   1           HZ       PHE   1  -0.325  -4.998  14.670
    9    H    GLY   2           H        GLY   2  -0.263  -2.382   8.043
   10   1HA   GLY   2          1HA       GLY   2   2.515  -2.407   7.913
   11   2HA   GLY   2          2HA       GLY   2   1.428  -2.275   6.562
   12    H    LEU   3           H        LEU   3   4.130  -0.861   7.153
   13    HA   LEU   3           HA       LEU   3   3.140   1.472   5.790
   14   2HB   LEU   3          2HB       LEU   3   3.388   2.379   8.092
   15    HG   LEU   3           HG       LEU   3   6.316   1.462   7.731
   16   1HD1  LEU   3          1HD1      LEU   3   6.838   2.987   9.624
   17   2HD1  LEU   3          2HD1      LEU   3   6.243   3.890   8.227
   18   3HD1  LEU   3          3HD1      LEU   3   5.177   3.616   9.624
   19   1HD2  LEU   3          1HD2      LEU   3   4.977  -0.122   9.078
   20   2HD2  LEU   3          2HD2      LEU   3   6.015   0.797  10.161
   21   3HD2  LEU   3          3HD2      LEU   3   4.289   1.193  10.056
   22    H    ILE   4           H        ILE   4   4.250   1.714   3.915
   23    HA   ILE   4           HA       ILE   4   6.753   0.186   3.636
   24    HB   ILE   4           HB       ILE   4   5.739  -0.932   1.861
   25   2HG1  ILE   4          2HG1      ILE   4   4.378   1.451   1.183
   26   1HG2  ILE   4          1HG2      ILE   4   3.347  -0.571   3.748
   27   2HG2  ILE   4          2HG2      ILE   4   3.655  -1.915   2.630
   28   3HG2  ILE   4          3HG2      ILE   4   4.723  -1.679   4.015
   29   1HD1  ILE   4          1HD1      ILE   4   5.373  -0.282  -0.301
   30   2HD1  ILE   4          2HD1      ILE   4   4.031  -1.367   0.133
   31   3HD1  ILE   4          3HD1      ILE   4   3.697   0.151  -0.739
   32    H    ASP   5           H        ASP   5   7.866   0.868   1.541
   33    HA   ASP   5           HA       ASP   5   8.064   3.783   1.612
   34   2HB   ASP   5          2HB       ASP   5  10.029   2.308   1.888
   35    H    VAL   6           H        VAL   6   6.513   1.436  -0.438
   36    HA   VAL   6           HA       VAL   6   7.679   2.392  -2.838
   37    HB   VAL   6           HB       VAL   6   5.282   0.570  -2.497
   38   1HG1  VAL   6          1HG1      VAL   6   7.043   1.115  -4.924
   39   2HG1  VAL   6          2HG1      VAL   6   5.883  -0.223  -4.781
   40   3HG1  VAL   6          3HG1      VAL   6   5.299   1.443  -4.783
   41   1HG2  VAL   6          1HG2      VAL   6   7.396  -0.289  -1.439
   42   2HG2  VAL   6          2HG2      VAL   6   6.978  -1.212  -2.881
   43   3HG2  VAL   6          3HG2      VAL   6   8.259   0.013  -2.951
   44    H    LYS   7           H        LYS   7   7.128   3.775  -4.321
   45    HA   LYS   7           HA       LYS   7   5.593   5.993  -4.254
   46   2HB   LYS   7          2HB       LYS   7   6.415   4.155  -6.499
   47   2HG   LYS   7          2HG       LYS   7   6.127   6.823  -7.484
   48   2HD   LYS   7          2HD       LYS   7   4.652   4.209  -8.035
   49   2HE   LYS   7          2HE       LYS   7   4.762   6.752  -9.727
   50   1HZ   LYS   7          1HZ       LYS   7   4.665   4.734 -11.028
   51   2HZ   LYS   7          2HZ       LYS   7   3.369   4.189 -10.173
   52   3HZ   LYS   7          3HZ       LYS   7   3.228   5.530 -11.117
   53    H    CYS   8           H        CYS   8   3.476   6.103  -3.584
   54    HA   CYS   8           HA       CYS   8   1.380   4.254  -4.610
   55   2HB   CYS   8          2HB       CYS   8   1.439   6.028  -2.509
   56    H    PHE   9           H        PHE   9   0.334   4.505  -6.498
   57    HA   PHE   9           HA       PHE   9   0.321   7.195  -7.821
   58   2HB   PHE   9          2HB       PHE   9  -0.699   4.480  -8.780
   59    HD1  PHE   9           HD1      PHE   9   0.620   7.743 -10.182
   60    HD2  PHE   9           HD2      PHE   9  -2.467   4.724 -10.322
   61    HE1  PHE   9           HE1      PHE   9  -0.445   8.910 -12.087
   62    HE2  PHE   9           HE2      PHE   9  -3.522   5.902 -12.223
   63    HZ   PHE   9           HZ       PHE   9  -2.516   7.994 -13.112
   64    H    ALA  10           H        ALA  10  -1.338   5.204  -5.573
   65    HA   ALA  10           HA       ALA  10  -3.585   6.741  -5.160
   66   1HB   ALA  10          1HB       ALA  10  -5.352   5.245  -6.162
   67   2HB   ALA  10          2HB       ALA  10  -4.427   6.083  -7.411
   68   3HB   ALA  10          3HB       ALA  10  -4.084   4.378  -7.048
   69    H    SER  11           H        SER  11  -5.124   5.367  -3.698
   70    HA   SER  11           HA       SER  11  -3.678   3.677  -1.883
   71   2HB   SER  11          2HB       SER  11  -5.568   4.854  -1.009
   72    HG   SER  11           HG       SER  11  -7.536   4.958  -2.197
   73    H    SER  12           H        SER  12  -5.781   3.057  -4.716
   74    HA   SER  12           HA       SER  12  -6.249   0.365  -4.181
   75   2HB   SER  12          2HB       SER  12  -7.588   1.344  -5.843
   76    HG   SER  12           HG       SER  12  -6.632   2.575  -7.557
   77    H    GLU  13           H        GLU  13  -3.580   1.934  -5.862
   78    HA   GLU  13           HA       GLU  13  -1.960  -0.068  -6.828
   79   2HB   GLU  13          2HB       GLU  13  -1.020   1.961  -4.865
   80   2HG   GLU  13          2HG       GLU  13   0.789   2.423  -6.609
   81    H    CYS  14           H        CYS  14  -2.065   1.052  -3.412
   82    HA   CYS  14           HA       CYS  14  -0.116  -0.498  -2.269
   83   2HB   CYS  14          2HB       CYS  14  -1.091   0.229  -0.215
   84    H    TRP  15           H        TRP  15  -3.381  -1.119  -3.155
   85    HA   TRP  15           HA       TRP  15  -3.862  -3.398  -1.347
   86   2HB   TRP  15          2HB       TRP  15  -5.711  -3.970  -2.804
   87    HD1  TRP  15           HD1      TRP  15  -4.845  -1.131  -0.853
   88    HE1  TRP  15           HE1      TRP  15  -6.813   0.329  -0.257
   89    HE3  TRP  15           HE3      TRP  15  -8.135  -2.916  -4.307
   90    HZ2  TRP  15           HZ2      TRP  15  -9.547   0.760  -1.259
   91    HZ3  TRP  15           HZ3      TRP  15 -10.418  -1.960  -4.480
   92    HH2  TRP  15           HH2      TRP  15 -11.131  -0.126  -2.965
   93    H    THR  16           H        THR  16  -3.318  -3.216  -4.912
   94    HA   THR  16           HA       THR  16  -2.520  -5.908  -5.271
   95    HB   THR  16           HB       THR  16  -1.235  -4.524  -7.264
   96    HG1  THR  16           HG1      THR  16  -1.892  -2.505  -6.311
   97   1HG2  THR  16          1HG2      THR  16  -3.342  -4.751  -8.547
   98   2HG2  THR  16          2HG2      THR  16  -3.024  -6.207  -7.586
   99   3HG2  THR  16          3HG2      THR  16  -4.238  -5.018  -7.039
  100    H    ALA  17           H        ALA  17  -0.582  -3.051  -4.141
  101    HA   ALA  17           HA       ALA  17   1.885  -4.447  -4.392
  102   1HB   ALA  17          1HB       ALA  17   2.798  -2.776  -2.874
  103   2HB   ALA  17          2HB       ALA  17   1.666  -1.973  -3.975
  104   3HB   ALA  17          3HB       ALA  17   1.184  -2.333  -2.303
  105    H    CYS  18           H        CYS  18  -0.282  -4.137  -1.558
  106    HA   CYS  18           HA       CYS  18   1.234  -5.772   0.182
  107   2HB   CYS  18          2HB       CYS  18  -1.797  -5.714   0.264
  108    H    LYS  19           H        LYS  19  -1.215  -6.512  -2.280
  109    HA   LYS  19           HA       LYS  19  -1.535  -9.242  -1.637
  110   2HB   LYS  19          2HB       LYS  19  -2.313  -9.252  -4.109
  111   2HG   LYS  19          2HG       LYS  19  -3.555  -7.103  -2.566
  112   2HD   LYS  19          2HD       LYS  19  -5.660  -8.342  -3.166
  113   2HE   LYS  19          2HE       LYS  19  -3.927  -7.911  -5.648
  114   1HZ   LYS  19          1HZ       LYS  19  -6.859  -7.906  -5.345
  115   2HZ   LYS  19          2HZ       LYS  19  -6.031  -7.558  -6.718
  116   3HZ   LYS  19          3HZ       LYS  19  -5.978  -9.077  -6.095
  117    H    LYS  20           H        LYS  20   0.325  -7.665  -4.213
  118    HA   LYS  20           HA       LYS  20   1.740  -9.853  -5.238
  119   2HB   LYS  20          2HB       LYS  20   3.567  -8.058  -5.742
  120   2HG   LYS  20          2HG       LYS  20   2.083  -6.764  -7.297
  121   2HD   LYS  20          2HD       LYS  20   1.624  -9.774  -7.436
  122   2HE   LYS  20          2HE       LYS  20   2.019  -7.626  -9.581
  123   1HZ   LYS  20          1HZ       LYS  20   1.580  -9.404 -11.103
  124   2HZ   LYS  20          2HZ       LYS  20   2.932  -9.743 -10.235
  125   3HZ   LYS  20          3HZ       LYS  20   1.518 -10.514  -9.892
  126    H    VAL  21           H        VAL  21   2.792  -7.762  -2.360
  127    HA   VAL  21           HA       VAL  21   5.212  -9.124  -2.030
  128    HB   VAL  21           HB       VAL  21   3.306  -7.317  -0.478
  129   1HG1  VAL  21          1HG1      VAL  21   5.189  -6.802   0.964
  130   2HG1  VAL  21          2HG1      VAL  21   4.467  -8.414   1.116
  131   3HG1  VAL  21          3HG1      VAL  21   6.036  -8.234   0.269
  132   1HG2  VAL  21          1HG2      VAL  21   6.039  -6.764  -1.747
  133   2HG2  VAL  21          2HG2      VAL  21   4.520  -6.374  -2.563
  134   3HG2  VAL  21          3HG2      VAL  21   4.936  -5.558  -1.047
  135    H    THR  22           H        THR  22   2.061  -9.136  -0.172
  136    HA   THR  22           HA       THR  22   3.067 -11.472   1.234
  137    HB   THR  22           HB       THR  22   1.861  -8.849   1.968
  138    HG1  THR  22           HG1      THR  22   3.366  -9.171   3.657
  139   1HG2  THR  22          1HG2      THR  22   0.187 -10.235   2.812
  140   2HG2  THR  22          2HG2      THR  22   1.348 -11.359   3.572
  141   3HG2  THR  22          3HG2      THR  22   1.171  -9.684   4.172
  142    H    GLY  23           H        GLY  23   0.172 -10.002  -0.253
  143   1HA   GLY  23          1HA       GLY  23  -1.440 -11.558  -1.321
  144   2HA   GLY  23          2HA       GLY  23  -1.380 -12.556   0.124
  145    H    SER  24           H        SER  24  -1.237  -9.802   1.605
  146    HA   SER  24           HA       SER  24  -4.005 -10.225   2.479
  147   2HB   SER  24          2HB       SER  24  -3.253  -9.066   4.508
  148    HG   SER  24           HG       SER  24  -2.573 -11.279   4.095
  149    H    GLY  25           H        GLY  25  -4.512  -9.129   0.322
  150   1HA   GLY  25          1HA       GLY  25  -3.587  -6.826  -0.539
  151   2HA   GLY  25          2HA       GLY  25  -5.151  -7.452  -1.003
  152    H    GLN  26           H        GLN  26  -5.109  -6.113   2.270
  153    HA   GLN  26           HA       GLN  26  -6.938  -3.995   1.269
  154   2HB   GLN  26          2HB       GLN  26  -7.953  -4.124   3.414
  155   2HG   GLN  26          2HG       GLN  26  -7.432  -6.971   2.450
  156   1HE2  GLN  26          1HE2      GLN  26  -7.922  -7.436   4.812
  157   2HE2  GLN  26          2HE2      GLN  26  -9.617  -7.481   5.261
  158    H    GLY  27           H        GLY  27  -6.066  -1.933   1.295
  159   1HA   GLY  27          1HA       GLY  27  -4.413  -0.994   3.508
  160   2HA   GLY  27          2HA       GLY  27  -3.540  -1.283   1.976
  161    H    LYS  28           H        LYS  28  -3.189   1.144   2.398
  162    HA   LYS  28           HA       LYS  28  -4.811   2.608   0.507
  163   2HB   LYS  28          2HB       LYS  28  -5.199   4.559   2.037
  164   2HG   LYS  28          2HG       LYS  28  -6.624   2.149   3.209
  165   2HD   LYS  28          2HD       LYS  28  -7.426   5.083   2.848
  166   2HE   LYS  28          2HE       LYS  28  -9.307   4.470   4.371
  167   1HZ   LYS  28          1HZ       LYS  28  -9.725   4.369   2.005
  168   2HZ   LYS  28          2HZ       LYS  28  -9.299   2.775   1.961
  169   3HZ   LYS  28          3HZ       LYS  28 -10.620   3.258   2.813
  170    H    CYS  29           H        CYS  29  -3.711   4.682  -0.035
  171    HA   CYS  29           HA       CYS  29  -0.812   4.340   0.402
  172   2HB   CYS  29          2HB       CYS  29  -1.769   4.806  -2.106
  173    H    GLN  30           H        GLN  30   0.405   6.355   0.853
  174    HA   GLN  30           HA       GLN  30  -1.116   8.672   1.841
  175   2HB   GLN  30          2HB       GLN  30   1.362   7.534   3.194
  176   2HG   GLN  30          2HG       GLN  30   1.166   9.926   3.546
  177   1HE2  GLN  30          1HE2      GLN  30  -1.479   8.861   5.721
  178   2HE2  GLN  30          2HE2      GLN  30  -2.627  10.055   5.143
  179    H    ASN  31           H        ASN  31  -0.315  10.372   0.639
  180    HA   ASN  31           HA       ASN  31   1.136  11.780  -0.332
  181   2HB   ASN  31          2HB       ASN  31   3.397  10.247   1.064
  182   1HD2  ASN  31          1HD2      ASN  31   4.743  11.269  -0.655
  183   2HD2  ASN  31          2HD2      ASN  31   5.068  12.984  -0.494
  184    H    ASN  32           H        ASN  32   3.159   8.928  -0.388
  185    HA   ASN  32           HA       ASN  32   2.849   7.987  -2.843
  186   2HB   ASN  32          2HB       ASN  32   5.642   8.993  -3.195
  187   1HD2  ASN  32          1HD2      ASN  32   2.354   9.996  -4.100
  188   2HD2  ASN  32          2HD2      ASN  32   2.261   8.836  -5.355
  189    H    GLN  33           H        GLN  33   2.772   7.017  -0.418
  190    HA   GLN  33           HA       GLN  33   4.724   4.908  -0.366
  191   2HB   GLN  33          2HB       GLN  33   4.844   5.264   2.166
  192   2HG   GLN  33          2HG       GLN  33   6.092   7.586   0.648
  193   1HE2  GLN  33          1HE2      GLN  33   8.662   6.128   1.633
  194   2HE2  GLN  33          2HE2      GLN  33   8.782   6.672   3.298
  195    H    CYS  34           H        CYS  34   3.565   3.349   1.588
  196    HA   CYS  34           HA       CYS  34   0.664   3.663   1.477
  197   2HB   CYS  34          2HB       CYS  34   1.187   1.073   0.502
  198    H    ARG  35           H        ARG  35  -0.468   1.888   2.435
  199    HA   ARG  35           HA       ARG  35   1.001   0.576   4.634
  200   2HB   ARG  35          2HB       ARG  35  -0.864   1.297   6.173
  201   2HG   ARG  35          2HG       ARG  35   0.452   3.654   4.876
  202   2HD   ARG  35          2HD       ARG  35  -1.054   4.022   6.881
  203    HE   ARG  35           HE       ARG  35   0.698   1.987   7.732
  204   1HH1  ARG  35          1HH1      ARG  35  -0.970   4.798   9.013
  205   2HH1  ARG  35          2HH1      ARG  35  -1.006   4.287  10.675
  206   1HH2  ARG  35          1HH2      ARG  35   0.752   1.244  10.001
  207   2HH2  ARG  35          2HH2      ARG  35   0.020   2.206  11.242
  208    H    CYS  36           H        CYS  36  -0.129  -1.119   5.528
  209    HA   CYS  36           HA       CYS  36  -2.509  -2.152   4.005
  210   2HB   CYS  36          2HB       CYS  36  -0.015  -3.812   4.551
  211    H    TYR  37           H        TYR  37  -3.651  -3.869   5.166
  212    HA   TYR  37           HA       TYR  37  -3.854  -3.090   7.944
  213   2HB   TYR  37          2HB       TYR  37  -5.667  -3.807   6.098
  214    HD1  TYR  37           HD1      TYR  37  -4.670  -6.059   5.009
  215    HD2  TYR  37           HD2      TYR  37  -6.704  -5.843   8.810
  216    HE1  TYR  37           HE1      TYR  37  -5.435  -8.398   4.743
  217    HE2  TYR  37           HE2      TYR  37  -7.327  -8.231   8.604
  218    HH   TYR  37           HH       TYR  37  -6.494 -10.208   5.749
  Start of MODEL   18
    1   1H    PHE   1          1H        PHE   1   0.540  -6.451   9.383
    2    HA   PHE   1           HA       PHE   1   0.078  -4.474   7.434
    3   2HB   PHE   1          2HB       PHE   1  -1.602  -3.620   8.943
    4    HD1  PHE   1           HD1      PHE   1  -1.603  -6.086   7.118
    5    HD2  PHE   1           HD2      PHE   1  -2.444  -5.616  11.331
    6    HE1  PHE   1           HE1      PHE   1  -3.062  -8.085   7.070
    7    HE2  PHE   1           HE2      PHE   1  -3.911  -7.602  11.253
    8    HZ   PHE   1           HZ       PHE   1  -4.232  -8.835   9.119
    9    H    GLY   2           H        GLY   2   0.322  -2.199   7.468
   10   1HA   GLY   2          1HA       GLY   2   0.881  -0.317   8.935
   11   2HA   GLY   2          2HA       GLY   2   2.471  -1.075   9.248
   12    H    LEU   3           H        LEU   3   3.734   0.549   8.252
   13    HA   LEU   3           HA       LEU   3   2.827   1.609   5.658
   14   2HB   LEU   3          2HB       LEU   3   3.358   3.308   7.314
   15    HG   LEU   3           HG       LEU   3   5.961   1.753   7.620
   16   1HD1  LEU   3          1HD1      LEU   3   7.176   3.852   8.172
   17   2HD1  LEU   3          2HD1      LEU   3   6.711   3.803   6.467
   18   3HD1  LEU   3          3HD1      LEU   3   5.809   4.832   7.601
   19   1HD2  LEU   3          1HD2      LEU   3   5.817   2.707   9.891
   20   2HD2  LEU   3          2HD2      LEU   3   4.460   3.752   9.444
   21   3HD2  LEU   3          3HD2      LEU   3   4.252   1.991   9.496
   22    H    ILE   4           H        ILE   4   4.073   1.674   3.743
   23    HA   ILE   4           HA       ILE   4   6.478  -0.030   3.685
   24    HB   ILE   4           HB       ILE   4   5.588  -0.965   1.723
   25   2HG1  ILE   4          2HG1      ILE   4   4.425   1.627   1.128
   26   1HG2  ILE   4          1HG2      ILE   4   4.245  -1.658   3.727
   27   2HG2  ILE   4          2HG2      ILE   4   3.025  -0.428   3.307
   28   3HG2  ILE   4          3HG2      ILE   4   3.358  -1.775   2.198
   29   1HD1  ILE   4          1HD1      ILE   4   4.223   0.690  -1.040
   30   2HD1  ILE   4          2HD1      ILE   4   5.773   0.153  -0.333
   31   3HD1  ILE   4          3HD1      ILE   4   4.391  -0.970  -0.406
   32    H    ASP   5           H        ASP   5   7.875   0.766   1.760
   33    HA   ASP   5           HA       ASP   5   7.605   3.724   1.345
   34   2HB   ASP   5          2HB       ASP   5  10.126   3.647   1.471
   35    H    VAL   6           H        VAL   6   6.379   2.353  -0.395
   36    HA   VAL   6           HA       VAL   6   8.103   2.805  -2.767
   37    HB   VAL   6           HB       VAL   6   6.029   0.578  -2.647
   38   1HG1  VAL   6          1HG1      VAL   6   7.936   1.478  -4.845
   39   2HG1  VAL   6          2HG1      VAL   6   6.960  -0.004  -4.881
   40   3HG1  VAL   6          3HG1      VAL   6   6.157   1.568  -4.878
   41   1HG2  VAL   6          1HG2      VAL   6   7.994  -0.931  -2.940
   42   2HG2  VAL   6          2HG2      VAL   6   9.079   0.459  -2.739
   43   3HG2  VAL   6          3HG2      VAL   6   8.057  -0.084  -1.395
   44    H    LYS   7           H        LYS   7   7.150   3.950  -4.342
   45    HA   LYS   7           HA       LYS   7   5.391   5.905  -3.624
   46   2HB   LYS   7          2HB       LYS   7   6.981   6.163  -5.393
   47   2HG   LYS   7          2HG       LYS   7   5.186   4.434  -7.171
   48   2HD   LYS   7          2HD       LYS   7   7.164   4.502  -8.675
   49   2HE   LYS   7          2HE       LYS   7   6.150   7.309  -7.983
   50   1HZ   LYS   7          1HZ       LYS   7   7.927   7.286  -9.589
   51   2HZ   LYS   7          2HZ       LYS   7   7.125   6.198 -10.529
   52   3HZ   LYS   7          3HZ       LYS   7   6.508   7.703 -10.299
   53    H    CYS   8           H        CYS   8   3.274   6.276  -3.605
   54    HA   CYS   8           HA       CYS   8   1.273   4.317  -4.649
   55   2HB   CYS   8          2HB       CYS   8   1.220   5.946  -2.510
   56    H    PHE   9           H        PHE   9   0.297   4.662  -6.588
   57    HA   PHE   9           HA       PHE   9   0.334   7.360  -7.853
   58   2HB   PHE   9          2HB       PHE   9  -1.273   5.192  -9.071
   59    HD1  PHE   9           HD1      PHE   9  -2.110   6.513 -10.861
   60    HD2  PHE   9           HD2      PHE   9   2.076   6.702  -9.851
   61    HE1  PHE   9           HE1      PHE   9  -1.685   7.890 -12.879
   62    HE2  PHE   9           HE2      PHE   9   2.499   8.093 -11.873
   63    HZ   PHE   9           HZ       PHE   9   0.617   8.678 -13.391
   64    H    ALA  10           H        ALA  10  -1.396   5.256  -5.693
   65    HA   ALA  10           HA       ALA  10  -3.556   6.919  -5.099
   66   1HB   ALA  10          1HB       ALA  10  -4.436   6.357  -7.360
   67   2HB   ALA  10          2HB       ALA  10  -4.102   4.642  -7.058
   68   3HB   ALA  10          3HB       ALA  10  -5.370   5.475  -6.142
   69    H    SER  11           H        SER  11  -5.138   5.443  -3.746
   70    HA   SER  11           HA       SER  11  -3.716   3.636  -1.982
   71   2HB   SER  11          2HB       SER  11  -6.120   3.109  -1.275
   72    HG   SER  11           HG       SER  11  -6.374   5.415  -0.605
   73    H    SER  12           H        SER  12  -5.477   3.054  -5.038
   74    HA   SER  12           HA       SER  12  -6.269   0.456  -4.505
   75   2HB   SER  12          2HB       SER  12  -7.210   1.388  -6.417
   76    HG   SER  12           HG       SER  12  -4.678   2.372  -7.334
   77    H    GLU  13           H        GLU  13  -3.343   1.578  -6.244
   78    HA   GLU  13           HA       GLU  13  -1.727  -0.415  -6.722
   79   2HB   GLU  13          2HB       GLU  13  -0.299   1.273  -5.205
   80   2HG   GLU  13          2HG       GLU  13  -0.251   1.030  -7.843
   81    H    CYS  14           H        CYS  14  -2.058   0.972  -3.395
   82    HA   CYS  14           HA       CYS  14  -0.056  -0.434  -2.095
   83   2HB   CYS  14          2HB       CYS  14  -1.110   0.310  -0.144
   84    H    TRP  15           H        TRP  15  -3.198  -1.222  -3.147
   85    HA   TRP  15           HA       TRP  15  -3.764  -3.388  -1.203
   86   2HB   TRP  15          2HB       TRP  15  -5.583  -4.019  -2.618
   87    HD1  TRP  15           HD1      TRP  15  -4.815  -1.102  -0.854
   88    HE1  TRP  15           HE1      TRP  15  -6.799   0.436  -0.471
   89    HE3  TRP  15           HE3      TRP  15  -7.845  -2.952  -4.469
   90    HZ2  TRP  15           HZ2      TRP  15  -9.407   0.908  -1.742
   91    HZ3  TRP  15           HZ3      TRP  15 -10.048  -1.894  -4.948
   92    HH2  TRP  15           HH2      TRP  15 -10.845   0.012  -3.570
   93    H    THR  16           H        THR  16  -3.185  -3.333  -4.766
   94    HA   THR  16           HA       THR  16  -2.387  -6.005  -5.066
   95    HB   THR  16           HB       THR  16  -1.050  -4.709  -7.051
   96    HG1  THR  16           HG1      THR  16  -1.582  -2.650  -6.078
   97   1HG2  THR  16          1HG2      THR  16  -2.957  -6.257  -7.375
   98   2HG2  THR  16          2HG2      THR  16  -4.083  -4.988  -6.838
   99   3HG2  THR  16          3HG2      THR  16  -3.163  -4.784  -8.342
  100    H    ALA  17           H        ALA  17  -0.490  -3.163  -3.867
  101    HA   ALA  17           HA       ALA  17   2.022  -4.510  -4.053
  102   1HB   ALA  17          1HB       ALA  17   1.197  -2.406  -1.981
  103   2HB   ALA  17          2HB       ALA  17   2.838  -2.837  -2.460
  104   3HB   ALA  17          3HB       ALA  17   1.764  -2.033  -3.616
  105    H    CYS  18           H        CYS  18  -0.264  -4.225  -1.299
  106    HA   CYS  18           HA       CYS  18   1.204  -5.965   0.398
  107   2HB   CYS  18          2HB       CYS  18  -1.780  -5.859   0.639
  108    H    LYS  19           H        LYS  19  -1.209  -6.580  -2.156
  109    HA   LYS  19           HA       LYS  19  -1.663  -9.296  -1.521
  110   2HB   LYS  19          2HB       LYS  19  -2.339  -9.361  -3.950
  111   2HG   LYS  19          2HG       LYS  19  -3.447  -7.030  -2.603
  112   2HD   LYS  19          2HD       LYS  19  -4.440  -7.922  -4.841
  113   2HE   LYS  19          2HE       LYS  19  -5.305 -10.105  -2.851
  114   1HZ   LYS  19          1HZ       LYS  19  -6.622 -10.958  -4.629
  115   2HZ   LYS  19          2HZ       LYS  19  -7.144  -9.454  -4.233
  116   3HZ   LYS  19          3HZ       LYS  19  -6.259  -9.687  -5.604
  117    H    LYS  20           H        LYS  20   0.460  -7.752  -3.881
  118    HA   LYS  20           HA       LYS  20   1.800 -10.087  -4.807
  119   2HB   LYS  20          2HB       LYS  20   3.637  -8.440  -5.481
  120   2HG   LYS  20          2HG       LYS  20   2.150  -7.076  -7.005
  121   2HD   LYS  20          2HD       LYS  20   1.553 -10.068  -7.006
  122   2HE   LYS  20          2HE       LYS  20   1.707  -7.999  -9.254
  123   1HZ   LYS  20          1HZ       LYS  20   1.032 -10.867  -9.374
  124   2HZ   LYS  20          2HZ       LYS  20   0.966  -9.803 -10.626
  125   3HZ   LYS  20          3HZ       LYS  20   2.414 -10.185  -9.953
  126    H    VAL  21           H        VAL  21   2.624  -7.963  -1.910
  127    HA   VAL  21           HA       VAL  21   5.040  -9.298  -1.368
  128    HB   VAL  21           HB       VAL  21   3.006  -7.497  -0.018
  129   1HG1  VAL  21          1HG1      VAL  21   5.536  -8.529   1.092
  130   2HG1  VAL  21          2HG1      VAL  21   4.818  -6.950   1.577
  131   3HG1  VAL  21          3HG1      VAL  21   3.857  -8.424   1.730
  132   1HG2  VAL  21          1HG2      VAL  21   5.879  -6.959  -0.944
  133   2HG2  VAL  21          2HG2      VAL  21   4.494  -6.609  -1.985
  134   3HG2  VAL  21          3HG2      VAL  21   4.686  -5.735  -0.454
  135    H    THR  22           H        THR  22   1.874  -9.218   0.446
  136    HA   THR  22           HA       THR  22   2.707 -11.739   1.630
  137    HB   THR  22           HB       THR  22   0.783 -10.976   3.313
  138    HG1  THR  22           HG1      THR  22   1.105  -8.609   3.449
  139   1HG2  THR  22          1HG2      THR  22   3.050 -11.414   3.983
  140   2HG2  THR  22          2HG2      THR  22   3.630  -9.905   3.278
  141   3HG2  THR  22          3HG2      THR  22   2.530  -9.869   4.670
  142    H    GLY  23           H        GLY  23   0.010 -10.153   0.010
  143   1HA   GLY  23          1HA       GLY  23  -1.710 -11.570  -1.168
  144   2HA   GLY  23          2HA       GLY  23  -1.734 -12.600   0.259
  145    H    SER  24           H        SER  24  -1.266  -9.768   1.690
  146    HA   SER  24           HA       SER  24  -4.026  -9.858   2.691
  147   2HB   SER  24          2HB       SER  24  -1.514  -8.392   3.588
  148    HG   SER  24           HG       SER  24  -3.401  -7.309   4.199
  149    H    GLY  25           H        GLY  25  -4.632  -9.017   0.435
  150   1HA   GLY  25          1HA       GLY  25  -3.712  -6.676  -0.603
  151   2HA   GLY  25          2HA       GLY  25  -5.219  -7.448  -1.056
  152    H    GLN  26           H        GLN  26  -4.878  -5.788   2.112
  153    HA   GLN  26           HA       GLN  26  -6.956  -3.865   1.235
  154   2HB   GLN  26          2HB       GLN  26  -7.772  -3.987   3.475
  155   2HG   GLN  26          2HG       GLN  26  -7.151  -6.831   2.588
  156   1HE2  GLN  26          1HE2      GLN  26 -10.073  -4.858   3.437
  157   2HE2  GLN  26          2HE2      GLN  26 -10.607  -5.973   4.685
  158    H    GLY  27           H        GLY  27  -5.997  -1.795   1.091
  159   1HA   GLY  27          1HA       GLY  27  -4.228  -0.856   3.218
  160   2HA   GLY  27          2HA       GLY  27  -3.444  -1.114   1.635
  161    H    LYS  28           H        LYS  28  -3.182   1.346   2.269
  162    HA   LYS  28           HA       LYS  28  -4.937   2.860   0.531
  163   2HB   LYS  28          2HB       LYS  28  -5.452   4.603   2.223
  164   2HG   LYS  28          2HG       LYS  28  -6.336   1.920   3.368
  165   2HD   LYS  28          2HD       LYS  28  -7.596   4.674   3.576
  166   2HE   LYS  28          2HE       LYS  28  -8.368   1.916   4.680
  167   1HZ   LYS  28          1HZ       LYS  28 -10.244   3.049   5.607
  168   2HZ   LYS  28          2HZ       LYS  28  -8.861   3.646   6.260
  169   3HZ   LYS  28          3HZ       LYS  28  -9.682   4.513   5.125
  170    H    CYS  29           H        CYS  29  -3.873   4.765  -0.201
  171    HA   CYS  29           HA       CYS  29  -0.965   4.550   0.301
  172   2HB   CYS  29          2HB       CYS  29  -1.886   4.886  -2.172
  173    H    GLN  30           H        GLN  30   0.171   6.699   0.560
  174    HA   GLN  30           HA       GLN  30  -1.390   8.901   1.754
  175   2HB   GLN  30          2HB       GLN  30   1.154   7.723   2.946
  176   2HG   GLN  30          2HG       GLN  30  -0.808   9.905   3.793
  177   1HE2  GLN  30          1HE2      GLN  30   0.108  11.122   5.820
  178   2HE2  GLN  30          2HE2      GLN  30   0.379  10.086   7.202
  179    H    ASN  31           H        ASN  31  -0.818  10.553   0.348
  180    HA   ASN  31           HA       ASN  31   0.443  11.986  -0.870
  181   2HB   ASN  31          2HB       ASN  31   2.898  12.175  -0.121
  182   1HD2  ASN  31          1HD2      ASN  31   3.062  12.278   2.798
  183   2HD2  ASN  31          2HD2      ASN  31   1.884  13.481   3.290
  184    H    ASN  32           H        ASN  32   3.004   9.657  -0.623
  185    HA   ASN  32           HA       ASN  32   2.524   8.253  -3.031
  186   2HB   ASN  32          2HB       ASN  32   4.722   8.784  -4.222
  187   1HD2  ASN  32          1HD2      ASN  32   2.382   8.961  -5.215
  188   2HD2  ASN  32          2HD2      ASN  32   1.766  10.604  -5.202
  189    H    GLN  33           H        GLN  33   2.535   7.487  -0.561
  190    HA   GLN  33           HA       GLN  33   4.722   5.555  -0.369
  191   2HB   GLN  33          2HB       GLN  33   3.616   7.266   1.934
  192   2HG   GLN  33          2HG       GLN  33   5.990   5.359   1.967
  193   1HE2  GLN  33          1HE2      GLN  33   7.351   5.614   3.821
  194   2HE2  GLN  33          2HE2      GLN  33   6.898   6.658   5.146
  195    H    CYS  34           H        CYS  34   3.599   3.644   1.128
  196    HA   CYS  34           HA       CYS  34   0.688   3.875   1.072
  197   2HB   CYS  34          2HB       CYS  34   1.403   1.298   0.000
  198    H    ARG  35           H        ARG  35  -0.468   2.181   2.103
  199    HA   ARG  35           HA       ARG  35   1.137   0.881   4.207
  200   2HB   ARG  35          2HB       ARG  35  -0.183   1.874   5.978
  201   2HG   ARG  35          2HG       ARG  35   0.498   3.985   3.971
  202   2HD   ARG  35          2HD       ARG  35  -0.629   4.990   5.860
  203    HE   ARG  35           HE       ARG  35   1.056   3.345   7.193
  204   1HH1  ARG  35          1HH1      ARG  35   0.771   6.883   7.139
  205   2HH1  ARG  35          2HH1      ARG  35   1.284   7.133   8.776
  206   1HH2  ARG  35          1HH2      ARG  35   1.727   3.667   9.470
  207   2HH2  ARG  35          2HH2      ARG  35   1.868   5.267  10.118
  208    H    CYS  36           H        CYS  36  -0.058  -0.630   5.380
  209    HA   CYS  36           HA       CYS  36  -2.321  -1.871   3.844
  210   2HB   CYS  36          2HB       CYS  36   0.204  -3.357   4.608
  211    H    TYR  37           H        TYR  37  -3.735  -3.058   4.999
  212    HA   TYR  37           HA       TYR  37  -3.698  -2.542   7.950
  213   2HB   TYR  37          2HB       TYR  37  -5.836  -2.340   5.796
  214    HD1  TYR  37           HD1      TYR  37  -7.875  -3.216   6.588
  215    HD2  TYR  37           HD2      TYR  37  -5.390  -0.899   9.247
  216    HE1  TYR  37           HE1      TYR  37  -9.677  -3.216   8.276
  217    HE2  TYR  37           HE2      TYR  37  -7.196  -0.905  10.939
  218    HH   TYR  37           HH       TYR  37  -9.328  -1.627  11.463
  Start of MODEL   19
    1   1H    PHE   1          1H        PHE   1   0.624  -7.035   8.770
    2    HA   PHE   1           HA       PHE   1  -0.131  -4.851   7.016
    3   2HB   PHE   1          2HB       PHE   1  -1.360  -4.019   8.934
    4    HD1  PHE   1           HD1      PHE   1  -1.680  -6.632   6.924
    5    HD2  PHE   1           HD2      PHE   1  -2.555  -5.711  11.057
    6    HE1  PHE   1           HE1      PHE   1  -3.432  -8.373   6.956
    7    HE2  PHE   1           HE2      PHE   1  -4.334  -7.433  11.054
    8    HZ   PHE   1           HZ       PHE   1  -4.773  -8.768   9.004
    9    H    GLY   2           H        GLY   2   0.192  -2.567   7.618
   10   1HA   GLY   2          1HA       GLY   2   1.163  -1.015   9.092
   11   2HA   GLY   2          2HA       GLY   2   2.680  -1.953   9.196
   12    H    LEU   3           H        LEU   3   4.074  -0.337   8.357
   13    HA   LEU   3           HA       LEU   3   3.021   1.187   6.127
   14   2HB   LEU   3          2HB       LEU   3   3.210   2.399   8.292
   15    HG   LEU   3           HG       LEU   3   6.237   2.020   7.794
   16   1HD1  LEU   3          1HD1      LEU   3   4.774   4.160   9.472
   17   2HD1  LEU   3          2HD1      LEU   3   6.530   3.883   9.421
   18   3HD1  LEU   3          3HD1      LEU   3   5.684   4.436   7.969
   19   1HD2  LEU   3          1HD2      LEU   3   4.415   1.637  10.261
   20   2HD2  LEU   3          2HD2      LEU   3   5.424   0.421   9.435
   21   3HD2  LEU   3          3HD2      LEU   3   6.186   1.722  10.337
   22    H    ILE   4           H        ILE   4   3.959   1.595   4.144
   23    HA   ILE   4           HA       ILE   4   6.605   0.446   3.754
   24    HB   ILE   4           HB       ILE   4   5.512  -0.967   2.295
   25   2HG1  ILE   4          2HG1      ILE   4   4.084   1.331   1.319
   26   1HG2  ILE   4          1HG2      ILE   4   3.061  -0.331   4.063
   27   2HG2  ILE   4          2HG2      ILE   4   3.329  -1.778   3.073
   28   3HG2  ILE   4          3HG2      ILE   4   4.378  -1.467   4.453
   29   1HD1  ILE   4          1HD1      ILE   4   5.281  -0.331  -0.042
   30   2HD1  ILE   4          2HD1      ILE   4   4.157  -1.599   0.533
   31   3HD1  ILE   4          3HD1      ILE   4   3.540  -0.275  -0.476
   32    H    ASP   5           H        ASP   5   7.553   1.494   1.759
   33    HA   ASP   5           HA       ASP   5   6.473   4.276   1.395
   34   2HB   ASP   5          2HB       ASP   5   9.298   4.452   1.260
   35    H    VAL   6           H        VAL   6   5.909   2.101  -0.240
   36    HA   VAL   6           HA       VAL   6   7.484   2.584  -2.673
   37    HB   VAL   6           HB       VAL   6   6.306   0.380  -2.069
   38   1HG1  VAL   6          1HG1      VAL   6   4.080   0.042  -2.914
   39   2HG1  VAL   6          2HG1      VAL   6   4.000   1.461  -1.845
   40   3HG1  VAL   6          3HG1      VAL   6   4.002   1.669  -3.607
   41   1HG2  VAL   6          1HG2      VAL   6   7.557   0.771  -4.135
   42   2HG2  VAL   6          2HG2      VAL   6   6.098  -0.182  -4.451
   43   3HG2  VAL   6          3HG2      VAL   6   6.137   1.539  -4.877
   44    H    LYS   7           H        LYS   7   6.990   3.921  -4.315
   45    HA   LYS   7           HA       LYS   7   5.469   6.239  -3.788
   46   2HB   LYS   7          2HB       LYS   7   6.033   6.775  -6.204
   47   2HG   LYS   7          2HG       LYS   7   7.915   6.185  -3.934
   48   2HD   LYS   7          2HD       LYS   7   9.140   5.357  -5.851
   49   2HE   LYS   7          2HE       LYS   7   8.779   8.192  -6.973
   50   1HZ   LYS   7          1HZ       LYS   7  10.947   7.271  -7.455
   51   2HZ   LYS   7          2HZ       LYS   7  10.271   5.908  -8.085
   52   3HZ   LYS   7          3HZ       LYS   7  10.038   7.357  -8.820
   53    H    CYS   8           H        CYS   8   3.386   5.898  -3.425
   54    HA   CYS   8           HA       CYS   8   1.515   4.360  -4.971
   55   2HB   CYS   8          2HB       CYS   8   1.139   5.176  -2.836
   56    H    PHE   9           H        PHE   9   0.861   4.694  -6.976
   57    HA   PHE   9           HA       PHE   9   0.444   7.388  -8.163
   58   2HB   PHE   9          2HB       PHE   9  -0.527   6.019 -10.019
   59    HD1  PHE   9           HD1      PHE   9   1.145   7.260 -11.267
   60    HD2  PHE   9           HD2      PHE   9   2.359   4.023  -8.675
   61    HE1  PHE   9           HE1      PHE   9   3.425   7.322 -12.236
   62    HE2  PHE   9           HE2      PHE   9   4.624   4.111  -9.620
   63    HZ   PHE   9           HZ       PHE   9   5.171   5.747 -11.426
   64    H    ALA  10           H        ALA  10  -1.136   4.805  -6.285
   65    HA   ALA  10           HA       ALA  10  -3.407   6.475  -5.727
   66   1HB   ALA  10          1HB       ALA  10  -4.131   5.687  -7.976
   67   2HB   ALA  10          2HB       ALA  10  -3.859   4.005  -7.475
   68   3HB   ALA  10          3HB       ALA  10  -5.135   4.972  -6.706
   69    H    SER  11           H        SER  11  -4.897   5.355  -4.149
   70    HA   SER  11           HA       SER  11  -3.560   3.727  -2.207
   71   2HB   SER  11          2HB       SER  11  -5.418   5.038  -1.471
   72    HG   SER  11           HG       SER  11  -7.123   4.056  -3.475
   73    H    SER  12           H        SER  12  -5.685   2.937  -5.011
   74    HA   SER  12           HA       SER  12  -6.159   0.284  -4.236
   75   2HB   SER  12          2HB       SER  12  -7.628   1.006  -5.852
   76    HG   SER  12           HG       SER  12  -6.930   2.411  -7.569
   77    H    GLU  13           H        GLU  13  -3.332   1.800  -5.629
   78    HA   GLU  13           HA       GLU  13  -2.009  -0.477  -6.732
   79   2HB   GLU  13          2HB       GLU  13  -0.866   1.711  -5.062
   80   2HG   GLU  13          2HG       GLU  13   0.194   0.394  -7.628
   81    H    CYS  14           H        CYS  14  -2.232   0.912  -3.404
   82    HA   CYS  14           HA       CYS  14  -0.171  -0.507  -2.145
   83   2HB   CYS  14          2HB       CYS  14  -1.231   0.244  -0.167
   84    H    TRP  15           H        TRP  15  -3.396  -1.142  -3.143
   85    HA   TRP  15           HA       TRP  15  -3.965  -3.346  -1.273
   86   2HB   TRP  15          2HB       TRP  15  -5.777  -3.935  -2.800
   87    HD1  TRP  15           HD1      TRP  15  -4.919  -1.048  -0.840
   88    HE1  TRP  15           HE1      TRP  15  -6.933   0.394  -0.282
   89    HE3  TRP  15           HE3      TRP  15  -8.152  -2.955  -4.266
   90    HZ2  TRP  15           HZ2      TRP  15  -9.652   0.757  -1.305
   91    HZ3  TRP  15           HZ3      TRP  15 -10.450  -2.025  -4.494
   92    HH2  TRP  15           HH2      TRP  15 -11.208  -0.180  -3.012
   93    H    THR  16           H        THR  16  -3.316  -3.355  -4.847
   94    HA   THR  16           HA       THR  16  -2.574  -6.094  -5.023
   95    HB   THR  16           HB       THR  16  -1.352  -4.971  -7.128
   96    HG1  THR  16           HG1      THR  16  -2.366  -2.957  -7.576
   97   1HG2  THR  16          1HG2      THR  16  -3.405  -6.326  -7.302
   98   2HG2  THR  16          2HG2      THR  16  -4.384  -4.955  -6.723
   99   3HG2  THR  16          3HG2      THR  16  -3.562  -4.869  -8.292
  100    H    ALA  17           H        ALA  17  -0.719  -3.217  -3.949
  101    HA   ALA  17           HA       ALA  17   1.802  -4.524  -4.140
  102   1HB   ALA  17          1HB       ALA  17   1.024  -2.382  -2.120
  103   2HB   ALA  17          2HB       ALA  17   2.651  -2.800  -2.643
  104   3HB   ALA  17          3HB       ALA  17   1.532  -2.045  -3.791
  105    H    CYS  18           H        CYS  18  -0.442  -4.179  -1.353
  106    HA   CYS  18           HA       CYS  18   1.144  -5.763   0.394
  107   2HB   CYS  18          2HB       CYS  18  -1.840  -5.772   0.717
  108    H    LYS  19           H        LYS  19  -1.307  -6.548  -2.053
  109    HA   LYS  19           HA       LYS  19  -1.629  -9.261  -1.340
  110   2HB   LYS  19          2HB       LYS  19  -2.349  -9.411  -3.764
  111   2HG   LYS  19          2HG       LYS  19  -3.577  -7.111  -2.453
  112   2HD   LYS  19          2HD       LYS  19  -5.698  -8.224  -2.934
  113   2HE   LYS  19          2HE       LYS  19  -4.718  -6.985  -4.919
  114   1HZ   LYS  19          1HZ       LYS  19  -4.177  -8.432  -6.792
  115   2HZ   LYS  19          2HZ       LYS  19  -3.068  -8.628  -5.591
  116   3HZ   LYS  19          3HZ       LYS  19  -4.233  -9.760  -5.832
  117    H    LYS  20           H        LYS  20   0.322  -7.823  -4.022
  118    HA   LYS  20           HA       LYS  20   1.552 -10.181  -4.705
  119   2HB   LYS  20          2HB       LYS  20   1.300  -7.929  -5.932
  120   2HG   LYS  20          2HG       LYS  20   4.162  -7.590  -4.922
  121   2HD   LYS  20          2HD       LYS  20   2.417  -5.898  -6.790
  122   2HE   LYS  20          2HE       LYS  20   4.624  -4.862  -7.421
  123   1HZ   LYS  20          1HZ       LYS  20   4.019  -4.516  -4.566
  124   2HZ   LYS  20          2HZ       LYS  20   4.868  -3.481  -5.515
  125   3HZ   LYS  20          3HZ       LYS  20   3.272  -3.720  -5.801
  126    H    VAL  21           H        VAL  21   2.599  -7.896  -2.031
  127    HA   VAL  21           HA       VAL  21   5.106  -9.163  -1.653
  128    HB   VAL  21           HB       VAL  21   3.178  -7.286  -0.224
  129   1HG1  VAL  21          1HG1      VAL  21   5.925  -8.119   0.553
  130   2HG1  VAL  21          2HG1      VAL  21   5.105  -6.623   1.135
  131   3HG1  VAL  21          3HG1      VAL  21   4.366  -8.202   1.432
  132   1HG2  VAL  21          1HG2      VAL  21   4.785  -5.543  -0.943
  133   2HG2  VAL  21          2HG2      VAL  21   5.900  -6.799  -1.544
  134   3HG2  VAL  21          3HG2      VAL  21   4.380  -6.488  -2.393
  135    H    THR  22           H        THR  22   1.896  -9.062   0.065
  136    HA   THR  22           HA       THR  22   2.718 -11.466   1.477
  137    HB   THR  22           HB       THR  22   3.566  -9.674   2.781
  138    HG1  THR  22           HG1      THR  22   1.334 -10.915   3.923
  139   1HG2  THR  22          1HG2      THR  22   0.726  -8.600   2.997
  140   2HG2  THR  22          2HG2      THR  22   2.140  -8.007   3.881
  141   3HG2  THR  22          3HG2      THR  22   2.060  -7.822   2.123
  142    H    GLY  23           H        GLY  23   0.489 -10.944  -0.498
  143   1HA   GLY  23          1HA       GLY  23  -1.615 -11.759  -0.830
  144   2HA   GLY  23          2HA       GLY  23  -1.528 -12.517   0.758
  145    H    SER  24           H        SER  24  -1.113  -9.633   1.882
  146    HA   SER  24           HA       SER  24  -3.850  -9.804   2.843
  147   2HB   SER  24          2HB       SER  24  -3.009  -8.411   4.662
  148    HG   SER  24           HG       SER  24  -1.203 -10.464   3.801
  149    H    GLY  25           H        GLY  25  -4.540  -8.940   0.654
  150   1HA   GLY  25          1HA       GLY  25  -3.660  -6.687  -0.454
  151   2HA   GLY  25          2HA       GLY  25  -5.238  -7.393  -0.802
  152    H    GLN  26           H        GLN  26  -4.973  -5.802   2.353
  153    HA   GLN  26           HA       GLN  26  -6.920  -3.788   1.357
  154   2HB   GLN  26          2HB       GLN  26  -7.798  -3.854   3.592
  155   2HG   GLN  26          2HG       GLN  26  -7.306  -6.721   2.679
  156   1HE2  GLN  26          1HE2      GLN  26  -7.720  -7.259   5.006
  157   2HE2  GLN  26          2HE2      GLN  26  -9.388  -7.225   5.556
  158    H    GLY  27           H        GLY  27  -6.141  -1.646   1.360
  159   1HA   GLY  27          1HA       GLY  27  -4.518  -0.635   3.511
  160   2HA   GLY  27          2HA       GLY  27  -3.548  -0.977   2.055
  161    H    LYS  28           H        LYS  28  -3.213   1.440   2.280
  162    HA   LYS  28           HA       LYS  28  -4.712   2.729   0.215
  163   2HB   LYS  28          2HB       LYS  28  -6.319   3.263   1.913
  164   2HG   LYS  28          2HG       LYS  28  -4.800   2.898   3.919
  165   2HD   LYS  28          2HD       LYS  28  -3.131   4.864   3.363
  166   2HE   LYS  28          2HE       LYS  28  -3.730   6.926   4.611
  167   1HZ   LYS  28          1HZ       LYS  28  -5.085   7.949   2.983
  168   2HZ   LYS  28          2HZ       LYS  28  -4.028   6.944   2.226
  169   3HZ   LYS  28          3HZ       LYS  28  -5.612   6.507   2.398
  170    H    CYS  29           H        CYS  29  -3.712   4.754  -0.417
  171    HA   CYS  29           HA       CYS  29  -0.823   4.557   0.106
  172   2HB   CYS  29          2HB       CYS  29  -1.568   4.706  -2.394
  173    H    GLN  30           H        GLN  30   0.316   6.756   0.291
  174    HA   GLN  30           HA       GLN  30  -1.175   8.960   1.582
  175   2HB   GLN  30          2HB       GLN  30   1.239   7.564   2.830
  176   2HG   GLN  30          2HG       GLN  30  -0.687   9.642   3.922
  177   1HE2  GLN  30          1HE2      GLN  30  -0.547  10.102   6.181
  178   2HE2  GLN  30          2HE2      GLN  30   0.312   9.042   7.277
  179    H    ASN  31           H        ASN  31  -0.305  10.733   0.401
  180    HA   ASN  31           HA       ASN  31   1.128  12.031  -0.766
  181   2HB   ASN  31          2HB       ASN  31   3.655  11.717   0.007
  182   1HD2  ASN  31          1HD2      ASN  31   1.367  11.858   2.751
  183   2HD2  ASN  31          2HD2      ASN  31   1.457  13.609   2.888
  184    H    ASN  32           H        ASN  32   3.539   9.581  -0.547
  185    HA   ASN  32           HA       ASN  32   2.824   8.120  -2.898
  186   2HB   ASN  32          2HB       ASN  32   4.900   8.365  -4.225
  187   1HD2  ASN  32          1HD2      ASN  32   2.723   8.971  -5.207
  188   2HD2  ASN  32          2HD2      ASN  32   2.376  10.698  -5.128
  189    H    GLN  33           H        GLN  33   2.641   7.300  -0.617
  190    HA   GLN  33           HA       GLN  33   4.696   5.252  -0.139
  191   2HB   GLN  33          2HB       GLN  33   4.181   5.662   2.311
  192   2HG   GLN  33          2HG       GLN  33   6.302   6.378   1.092
  193   1HE2  GLN  33          1HE2      GLN  33   7.862   8.077   1.661
  194   2HE2  GLN  33          2HE2      GLN  33   7.510   9.710   1.028
  195    H    CYS  34           H        CYS  34   3.424   3.558   1.469
  196    HA   CYS  34           HA       CYS  34   0.525   3.715   1.224
  197   2HB   CYS  34          2HB       CYS  34   1.227   1.139   0.354
  198    H    ARG  35           H        ARG  35  -0.567   2.126   2.428
  199    HA   ARG  35           HA       ARG  35   1.014   0.799   4.513
  200   2HB   ARG  35          2HB       ARG  35  -0.670   2.090   6.157
  201   2HG   ARG  35          2HG       ARG  35   1.949   2.536   5.190
  202   2HD   ARG  35          2HD       ARG  35   1.667   5.005   6.525
  203    HE   ARG  35           HE       ARG  35   2.895   3.874   4.057
  204   1HH1  ARG  35          1HH1      ARG  35   2.866   6.883   5.863
  205   2HH1  ARG  35          2HH1      ARG  35   4.611   7.016   5.975
  206   1HH2  ARG  35          1HH2      ARG  35   5.119   4.093   4.018
  207   2HH2  ARG  35          2HH2      ARG  35   5.991   5.410   4.624
  208    H    CYS  36           H        CYS  36  -0.070  -0.812   5.617
  209    HA   CYS  36           HA       CYS  36  -2.479  -1.769   4.109
  210   2HB   CYS  36          2HB       CYS  36   0.133  -3.232   4.609
  211    H    TYR  37           H        TYR  37  -3.757  -3.318   5.167
  212    HA   TYR  37           HA       TYR  37  -3.559  -3.370   8.147
  213   2HB   TYR  37          2HB       TYR  37  -5.825  -2.467   6.329
  214    HD1  TYR  37           HD1      TYR  37  -5.113  -1.822   9.945
  215    HD2  TYR  37           HD2      TYR  37  -7.766  -3.649   7.073
  216    HE1  TYR  37           HE1      TYR  37  -6.814  -2.135  11.713
  217    HE2  TYR  37           HE2      TYR  37  -9.465  -3.960   8.847
  218    HH   TYR  37           HH       TYR  37  -8.947  -2.872  12.212
  Start of MODEL   20
    1   1H    PHE   1          1H        PHE   1   1.923  -6.200   8.774
    2    HA   PHE   1           HA       PHE   1   0.044  -4.943   7.101
    3   2HB   PHE   1          2HB       PHE   1  -1.391  -3.902   8.810
    4    HD1  PHE   1           HD1      PHE   1  -1.635  -6.494   6.968
    5    HD2  PHE   1           HD2      PHE   1  -2.493  -5.630  11.114
    6    HE1  PHE   1           HE1      PHE   1  -3.401  -8.220   6.975
    7    HE2  PHE   1           HE2      PHE   1  -4.255  -7.366  11.103
    8    HZ   PHE   1           HZ       PHE   1  -4.719  -8.660   9.035
    9    H    GLY   2           H        GLY   2   0.063  -2.481   7.748
   10   1HA   GLY   2          1HA       GLY   2   0.981  -0.772   9.009
   11   2HA   GLY   2          2HA       GLY   2   2.476  -1.688   9.332
   12    H    LEU   3           H        LEU   3   3.923  -0.130   8.479
   13    HA   LEU   3           HA       LEU   3   2.973   1.260   6.138
   14   2HB   LEU   3          2HB       LEU   3   3.184   2.558   8.240
   15    HG   LEU   3           HG       LEU   3   6.205   2.076   7.795
   16   1HD1  LEU   3          1HD1      LEU   3   4.779   4.321   9.363
   17   2HD1  LEU   3          2HD1      LEU   3   6.526   3.999   9.347
   18   3HD1  LEU   3          3HD1      LEU   3   5.715   4.511   7.864
   19   1HD2  LEU   3          1HD2      LEU   3   5.353   0.568   9.488
   20   2HD2  LEU   3          2HD2      LEU   3   6.108   1.898  10.353
   21   3HD2  LEU   3          3HD2      LEU   3   4.339   1.830  10.244
   22    H    ILE   4           H        ILE   4   3.930   1.653   4.153
   23    HA   ILE   4           HA       ILE   4   6.586   0.527   3.781
   24    HB   ILE   4           HB       ILE   4   5.513  -0.811   2.232
   25   2HG1  ILE   4          2HG1      ILE   4   4.113   1.598   1.366
   26   1HG2  ILE   4          1HG2      ILE   4   4.273  -1.373   4.312
   27   2HG2  ILE   4          2HG2      ILE   4   2.998  -0.197   3.923
   28   3HG2  ILE   4          3HG2      ILE   4   3.282  -1.608   2.877
   29   1HD1  ILE   4          1HD1      ILE   4   3.978   0.358  -0.676
   30   2HD1  ILE   4          2HD1      ILE   4   5.605   0.161   0.040
   31   3HD1  ILE   4          3HD1      ILE   4   4.404  -1.155   0.170
   32    H    ASP   5           H        ASP   5   7.586   1.712   1.848
   33    HA   ASP   5           HA       ASP   5   6.401   4.424   1.375
   34   2HB   ASP   5          2HB       ASP   5   8.739   5.232   1.747
   35    H    VAL   6           H        VAL   6   5.978   2.442  -0.318
   36    HA   VAL   6           HA       VAL   6   7.878   2.960  -2.583
   37    HB   VAL   6           HB       VAL   6   5.645   0.917  -2.320
   38   1HG1  VAL   6          1HG1      VAL   6   6.542   0.023  -4.460
   39   2HG1  VAL   6          2HG1      VAL   6   5.836   1.630  -4.661
   40   3HG1  VAL   6          3HG1      VAL   6   7.605   1.436  -4.597
   41   1HG2  VAL   6          1HG2      VAL   6   8.687   0.607  -2.448
   42   2HG2  VAL   6          2HG2      VAL   6   7.709   0.382  -0.989
   43   3HG2  VAL   6          3HG2      VAL   6   7.505  -0.714  -2.361
   44    H    LYS   7           H        LYS   7   7.248   4.188  -4.267
   45    HA   LYS   7           HA       LYS   7   5.393   6.146  -3.933
   46   2HB   LYS   7          2HB       LYS   7   7.144   6.573  -5.378
   47   2HG   LYS   7          2HG       LYS   7   6.969   5.755  -7.794
   48   2HD   LYS   7          2HD       LYS   7   8.078   3.607  -5.946
   49   2HE   LYS   7          2HE       LYS   7   9.903   3.589  -7.604
   50   1HZ   LYS   7          1HZ       LYS   7   7.279   3.336  -8.922
   51   2HZ   LYS   7          2HZ       LYS   7   8.693   2.692  -9.454
   52   3HZ   LYS   7          3HZ       LYS   7   8.026   2.155  -8.051
   53    H    CYS   8           H        CYS   8   3.296   5.939  -3.519
   54    HA   CYS   8           HA       CYS   8   1.479   4.121  -4.890
   55   2HB   CYS   8          2HB       CYS   8   1.126   5.202  -2.787
   56    H    PHE   9           H        PHE   9   0.697   4.344  -6.909
   57    HA   PHE   9           HA       PHE   9   0.422   6.990  -8.238
   58   2HB   PHE   9          2HB       PHE   9  -1.269   5.144  -9.489
   59    HD1  PHE   9           HD1      PHE   9  -1.173   6.824 -11.199
   60    HD2  PHE   9           HD2      PHE   9   2.441   4.892  -9.852
   61    HE1  PHE   9           HE1      PHE   9   0.067   7.825 -13.092
   62    HE2  PHE   9           HE2      PHE   9   3.680   5.904 -11.755
   63    HZ   PHE   9           HZ       PHE   9   2.494   7.370 -13.375
   64    H    ALA  10           H        ALA  10  -1.283   4.673  -6.129
   65    HA   ALA  10           HA       ALA  10  -3.270   6.529  -5.333
   66   1HB   ALA  10          1HB       ALA  10  -4.137   4.355  -7.310
   67   2HB   ALA  10          2HB       ALA  10  -5.242   5.344  -6.331
   68   3HB   ALA  10          3HB       ALA  10  -4.253   6.108  -7.583
   69    H    SER  11           H        SER  11  -4.607   5.558  -3.687
   70    HA   SER  11           HA       SER  11  -3.543   3.673  -2.014
   71   2HB   SER  11          2HB       SER  11  -6.005   3.435  -1.226
   72    HG   SER  11           HG       SER  11  -6.101   5.808  -0.891
   73    H    SER  12           H        SER  12  -5.928   2.941  -4.667
   74    HA   SER  12           HA       SER  12  -6.120   0.263  -3.978
   75   2HB   SER  12          2HB       SER  12  -7.317  -0.011  -5.984
   76    HG   SER  12           HG       SER  12  -8.301   1.479  -4.604
   77    H    GLU  13           H        GLU  13  -3.300   1.765  -5.289
   78    HA   GLU  13           HA       GLU  13  -2.317  -0.658  -6.587
   79   2HB   GLU  13          2HB       GLU  13  -0.554   1.255  -5.243
   80   2HG   GLU  13          2HG       GLU  13   0.811   1.009  -7.354
   81    H    CYS  14           H        CYS  14  -2.018   1.000  -3.349
   82    HA   CYS  14           HA       CYS  14  -0.079  -0.485  -2.087
   83   2HB   CYS  14          2HB       CYS  14  -1.070   0.298  -0.090
   84    H    TRP  15           H        TRP  15  -3.286  -1.139  -2.975
   85    HA   TRP  15           HA       TRP  15  -3.902  -3.349  -1.114
   86   2HB   TRP  15          2HB       TRP  15  -5.705  -3.860  -2.759
   87    HD1  TRP  15           HD1      TRP  15  -4.846  -1.152  -0.555
   88    HE1  TRP  15           HE1      TRP  15  -6.788   0.399  -0.039
   89    HE3  TRP  15           HE3      TRP  15  -7.919  -2.508  -4.375
   90    HZ2  TRP  15           HZ2      TRP  15  -9.394   1.018  -1.190
   91    HZ3  TRP  15           HZ3      TRP  15 -10.129  -1.408  -4.670
   92    HH2  TRP  15           HH2      TRP  15 -10.873   0.350  -3.081
   93    H    THR  16           H        THR  16  -3.221  -3.279  -4.691
   94    HA   THR  16           HA       THR  16  -2.457  -5.990  -4.873
   95    HB   THR  16           HB       THR  16  -1.222  -4.824  -6.971
   96    HG1  THR  16           HG1      THR  16  -1.580  -2.707  -6.548
   97   1HG2  THR  16          1HG2      THR  16  -3.126  -6.383  -7.145
   98   2HG2  THR  16          2HG2      THR  16  -4.240  -5.077  -6.640
   99   3HG2  THR  16          3HG2      THR  16  -3.371  -4.967  -8.183
  100    H    ALA  17           H        ALA  17  -0.577  -3.139  -3.734
  101    HA   ALA  17           HA       ALA  17   1.984  -4.402  -3.962
  102   1HB   ALA  17          1HB       ALA  17   1.158  -2.360  -1.872
  103   2HB   ALA  17          2HB       ALA  17   2.781  -2.721  -2.452
  104   3HB   ALA  17          3HB       ALA  17   1.617  -1.944  -3.538
  105    H    CYS  18           H        CYS  18  -0.331  -4.218  -1.245
  106    HA   CYS  18           HA       CYS  18   1.224  -5.903   0.447
  107   2HB   CYS  18          2HB       CYS  18  -1.759  -5.930   0.711
  108    H    LYS  19           H        LYS  19  -1.210  -6.549  -2.110
  109    HA   LYS  19           HA       LYS  19  -1.525  -9.276  -1.507
  110   2HB   LYS  19          2HB       LYS  19  -2.306  -9.388  -3.858
  111   2HG   LYS  19          2HG       LYS  19  -3.456  -7.064  -2.552
  112   2HD   LYS  19          2HD       LYS  19  -5.601  -8.266  -3.062
  113   2HE   LYS  19          2HE       LYS  19  -3.835  -8.075  -5.545
  114   1HZ   LYS  19          1HZ       LYS  19  -5.911  -7.750  -6.676
  115   2HZ   LYS  19          2HZ       LYS  19  -5.901  -9.223  -5.952
  116   3HZ   LYS  19          3HZ       LYS  19  -6.768  -7.988  -5.296
  117    H    LYS  20           H        LYS  20   0.495  -7.592  -3.822
  118    HA   LYS  20           HA       LYS  20   1.927  -9.679  -5.056
  119   2HB   LYS  20          2HB       LYS  20   3.799  -7.936  -5.286
  120   2HG   LYS  20          2HG       LYS  20   0.997  -7.477  -6.307
  121   2HD   LYS  20          2HD       LYS  20   3.449  -5.712  -6.839
  122   2HE   LYS  20          2HE       LYS  20   0.623  -5.688  -7.991
  123   1HZ   LYS  20          1HZ       LYS  20   0.953  -3.397  -7.319
  124   2HZ   LYS  20          2HZ       LYS  20   2.496  -3.395  -7.841
  125   3HZ   LYS  20          3HZ       LYS  20   1.245  -3.491  -8.889
  126    H    VAL  21           H        VAL  21   2.809  -7.918  -1.883
  127    HA   VAL  21           HA       VAL  21   5.064  -9.522  -1.463
  128    HB   VAL  21           HB       VAL  21   3.274  -7.611   0.119
  129   1HG1  VAL  21          1HG1      VAL  21   5.155  -7.350   1.578
  130   2HG1  VAL  21          2HG1      VAL  21   4.538  -9.021   1.560
  131   3HG1  VAL  21          3HG1      VAL  21   6.031  -8.634   0.668
  132   1HG2  VAL  21          1HG2      VAL  21   4.497  -6.607  -1.914
  133   2HG2  VAL  21          2HG2      VAL  21   5.046  -5.962  -0.360
  134   3HG2  VAL  21          3HG2      VAL  21   6.003  -7.197  -1.209
  135    H    THR  22           H        THR  22   1.928  -9.217   0.398
  136    HA   THR  22           HA       THR  22   2.631 -11.783   1.605
  137    HB   THR  22           HB       THR  22   1.090 -11.256   3.372
  138    HG1  THR  22           HG1      THR  22  -0.200  -9.582   3.362
  139   1HG2  THR  22          1HG2      THR  22   3.448 -10.313   3.436
  140   2HG2  THR  22          2HG2      THR  22   2.755  -8.764   2.876
  141   3HG2  THR  22          3HG2      THR  22   2.256  -9.450   4.427
  142    H    GLY  23           H        GLY  23  -0.086 -10.077   0.119
  143   1HA   GLY  23          1HA       GLY  23  -1.785 -11.511  -1.216
  144   2HA   GLY  23          2HA       GLY  23  -1.816 -12.533   0.219
  145    H    SER  24           H        SER  24  -1.318  -9.786   1.733
  146    HA   SER  24           HA       SER  24  -4.067  -9.835   2.682
  147   2HB   SER  24          2HB       SER  24  -3.208  -8.625   4.557
  148    HG   SER  24           HG       SER  24  -2.376 -10.799   4.305
  149    H    GLY  25           H        GLY  25  -4.693  -8.920   0.461
  150   1HA   GLY  25          1HA       GLY  25  -3.676  -6.640  -0.555
  151   2HA   GLY  25          2HA       GLY  25  -5.219  -7.335  -1.014
  152    H    GLN  26           H        GLN  26  -4.806  -5.631   2.138
  153    HA   GLN  26           HA       GLN  26  -6.872  -3.697   1.245
  154   2HB   GLN  26          2HB       GLN  26  -7.705  -3.834   3.477
  155   2HG   GLN  26          2HG       GLN  26  -7.040  -6.672   2.603
  156   1HE2  GLN  26          1HE2      GLN  26  -9.284  -7.974   2.757
  157   2HE2  GLN  26          2HE2      GLN  26 -10.060  -7.789   4.321
  158    H    GLY  27           H        GLY  27  -6.288  -1.458   1.612
  159   1HA   GLY  27          1HA       GLY  27  -4.515  -0.605   3.667
  160   2HA   GLY  27          2HA       GLY  27  -3.606  -0.856   2.149
  161    H    LYS  28           H        LYS  28  -3.256   1.554   2.452
  162    HA   LYS  28           HA       LYS  28  -4.744   2.723   0.371
  163   2HB   LYS  28          2HB       LYS  28  -6.363   3.339   2.079
  164   2HG   LYS  28          2HG       LYS  28  -4.706   3.388   4.066
  165   2HD   LYS  28          2HD       LYS  28  -4.375   6.211   2.911
  166   2HE   LYS  28          2HE       LYS  28  -3.177   6.725   5.065
  167   1HZ   LYS  28          1HZ       LYS  28  -5.413   7.522   4.733
  168   2HZ   LYS  28          2HZ       LYS  28  -6.046   6.168   5.427
  169   3HZ   LYS  28          3HZ       LYS  28  -5.130   7.199   6.319
  170    H    CYS  29           H        CYS  29  -3.768   4.843  -0.330
  171    HA   CYS  29           HA       CYS  29  -0.863   4.587   0.159
  172   2HB   CYS  29          2HB       CYS  29  -1.591   4.663  -2.340
  173    H    GLN  30           H        GLN  30   0.308   6.728   0.276
  174    HA   GLN  30           HA       GLN  30  -1.190   8.990   1.444
  175   2HB   GLN  30          2HB       GLN  30   1.250   7.793   2.800
  176   2HG   GLN  30          2HG       GLN  30  -0.940   9.690   3.715
  177   1HE2  GLN  30          1HE2      GLN  30  -0.857  10.374   5.964
  178   2HE2  GLN  30          2HE2      GLN  30  -0.128   9.324   7.162
  179    H    ASN  31           H        ASN  31  -0.454  10.598   0.048
  180    HA   ASN  31           HA       ASN  31   0.994  12.033  -0.849
  181   2HB   ASN  31          2HB       ASN  31   3.373  10.729   0.575
  182   1HD2  ASN  31          1HD2      ASN  31   4.502  12.459   1.878
  183   2HD2  ASN  31          2HD2      ASN  31   4.700  13.999   1.049
  184    H    ASN  32           H        ASN  32   3.220   9.318  -0.733
  185    HA   ASN  32           HA       ASN  32   2.720   8.059  -3.118
  186   2HB   ASN  32          2HB       ASN  32   4.970   8.375  -4.312
  187   1HD2  ASN  32          1HD2      ASN  32   2.570   8.736  -5.278
  188   2HD2  ASN  32          2HD2      ASN  32   2.151  10.442  -5.310
  189    H    GLN  33           H        GLN  33   2.633   7.332  -0.658
  190    HA   GLN  33           HA       GLN  33   4.765   5.389  -0.233
  191   2HB   GLN  33          2HB       GLN  33   4.641   5.904   2.179
  192   2HG   GLN  33          2HG       GLN  33   5.349   8.352   0.527
  193   1HE2  GLN  33          1HE2      GLN  33   6.663   7.502   3.683
  194   2HE2  GLN  33          2HE2      GLN  33   6.163   9.011   4.454
  195    H    CYS  34           H        CYS  34   3.497   3.709   1.535
  196    HA   CYS  34           HA       CYS  34   0.609   3.869   1.227
  197   2HB   CYS  34          2HB       CYS  34   1.398   1.279   0.306
  198    H    ARG  35           H        ARG  35  -0.526   2.189   2.357
  199    HA   ARG  35           HA       ARG  35   1.048   0.850   4.458
  200   2HB   ARG  35          2HB       ARG  35  -0.717   2.054   6.070
  201   2HG   ARG  35          2HG       ARG  35   1.907   2.598   5.185
  202   2HD   ARG  35          2HD       ARG  35   1.525   5.063   6.493
  203    HE   ARG  35           HE       ARG  35   2.853   3.942   4.085
  204   1HH1  ARG  35          1HH1      ARG  35   2.516   7.072   5.662
  205   2HH1  ARG  35          2HH1      ARG  35   4.235   7.399   5.659
  206   1HH2  ARG  35          1HH2      ARG  35   5.097   4.297   4.185
  207   2HH2  ARG  35          2HH2      ARG  35   5.768   5.798   4.598
  208    H    CYS  36           H        CYS  36   0.055  -0.858   5.446
  209    HA   CYS  36           HA       CYS  36  -2.325  -1.841   3.903
  210   2HB   CYS  36          2HB       CYS  36   0.223  -3.325   4.622
  211    H    TYR  37           H        TYR  37  -3.683  -3.318   4.953
  212    HA   TYR  37           HA       TYR  37  -3.589  -3.384   7.936
  213   2HB   TYR  37          2HB       TYR  37  -5.854  -2.507   6.102
  214    HD1  TYR  37           HD1      TYR  37  -5.120  -1.833   9.708
  215    HD2  TYR  37           HD2      TYR  37  -7.768  -3.735   6.881
  216    HE1  TYR  37           HE1      TYR  37  -6.784  -2.187  11.503
  217    HE2  TYR  37           HE2      TYR  37  -9.429  -4.087   8.682
  218    HH   TYR  37           HH       TYR  37  -8.884  -2.990  12.040
  Start of MODEL   21
    1   1H    PHE   1          1H        PHE   1  -1.341  -0.950   8.254
    2    HA   PHE   1           HA       PHE   1  -0.391  -1.747  10.943
    3   2HB   PHE   1          2HB       PHE   1  -1.567  -3.734   8.977
    4    HD1  PHE   1           HD1      PHE   1  -2.915  -2.741  12.264
    5    HD2  PHE   1           HD2      PHE   1  -0.426  -5.586  10.179
    6    HE1  PHE   1           HE1      PHE   1  -3.058  -4.284  14.199
    7    HE2  PHE   1           HE2      PHE   1  -0.553  -7.112  12.136
    8    HZ   PHE   1           HZ       PHE   1  -1.875  -6.468  14.138
    9    H    GLY   2           H        GLY   2  -0.344  -2.877   7.653
   10   1HA   GLY   2          1HA       GLY   2   2.510  -3.185   7.189
   11   2HA   GLY   2          2HA       GLY   2   1.234  -3.018   6.023
   12    H    LEU   3           H        LEU   3   4.003  -1.512   6.774
   13    HA   LEU   3           HA       LEU   3   2.902   0.765   5.491
   14   2HB   LEU   3          2HB       LEU   3   2.766   1.566   7.838
   15    HG   LEU   3           HG       LEU   3   5.791   0.981   7.814
   16   1HD1  LEU   3          1HD1      LEU   3   5.893   2.395   9.874
   17   2HD1  LEU   3          2HD1      LEU   3   5.399   3.346   8.465
   18   3HD1  LEU   3          3HD1      LEU   3   4.189   2.857   9.673
   19   1HD2  LEU   3          1HD2      LEU   3   5.240   0.110  10.153
   20   2HD2  LEU   3          2HD2      LEU   3   3.512   0.333   9.815
   21   3HD2  LEU   3          3HD2      LEU   3   4.477  -0.827   8.876
   22    H    ILE   4           H        ILE   4   4.085   1.473   3.828
   23    HA   ILE   4           HA       ILE   4   6.784   0.390   3.509
   24    HB   ILE   4           HB       ILE   4   5.965  -0.788   1.638
   25   2HG1  ILE   4          2HG1      ILE   4   4.231   1.354   1.057
   26   1HG2  ILE   4          1HG2      ILE   4   4.027  -2.115   2.286
   27   2HG2  ILE   4          2HG2      ILE   4   5.036  -1.842   3.713
   28   3HG2  ILE   4          3HG2      ILE   4   3.528  -0.902   3.478
   29   1HD1  ILE   4          1HD1      ILE   4   4.297  -1.444  -0.083
   30   2HD1  ILE   4          2HD1      ILE   4   3.702   0.036  -0.885
   31   3HD1  ILE   4          3HD1      ILE   4   5.437  -0.139  -0.494
   32    H    ASP   5           H        ASP   5   7.776   1.456   1.606
   33    HA   ASP   5           HA       ASP   5   6.846   4.292   1.273
   34   2HB   ASP   5          2HB       ASP   5   9.413   4.655   1.075
   35    H    VAL   6           H        VAL   6   6.088   2.096  -0.456
   36    HA   VAL   6           HA       VAL   6   7.642   2.673  -2.917
   37    HB   VAL   6           HB       VAL   6   5.238   0.883  -2.521
   38   1HG1  VAL   6          1HG1      VAL   6   5.226   1.772  -4.801
   39   2HG1  VAL   6          2HG1      VAL   6   6.962   1.420  -4.977
   40   3HG1  VAL   6          3HG1      VAL   6   5.791   0.096  -4.821
   41   1HG2  VAL   6          1HG2      VAL   6   8.189   0.276  -3.105
   42   2HG2  VAL   6          2HG2      VAL   6   7.443   0.066  -1.516
   43   3HG2  VAL   6          3HG2      VAL   6   6.898  -0.919  -2.884
   44    H    LYS   7           H        LYS   7   7.053   4.092  -4.342
   45    HA   LYS   7           HA       LYS   7   5.442   6.271  -3.647
   46   2HB   LYS   7          2HB       LYS   7   5.980   7.031  -5.996
   47   2HG   LYS   7          2HG       LYS   7   7.841   6.332  -3.801
   48   2HD   LYS   7          2HD       LYS   7   9.080   5.213  -5.521
   49   2HE   LYS   7          2HE       LYS   7   8.341   6.174  -7.622
   50   1HZ   LYS   7          1HZ       LYS   7   8.909   8.417  -8.201
   51   2HZ   LYS   7          2HZ       LYS   7   7.899   8.402  -6.906
   52   3HZ   LYS   7          3HZ       LYS   7   9.506   8.716  -6.697
   53    H    CYS   8           H        CYS   8   3.350   5.742  -3.271
   54    HA   CYS   8           HA       CYS   8   1.498   4.360  -4.978
   55   2HB   CYS   8          2HB       CYS   8   1.098   5.064  -2.780
   56    H    PHE   9           H        PHE   9   0.752   4.902  -6.910
   57    HA   PHE   9           HA       PHE   9   0.358   7.694  -7.845
   58   2HB   PHE   9          2HB       PHE   9  -0.598   6.538  -9.825
   59    HD1  PHE   9           HD1      PHE   9   1.156   7.830 -10.922
   60    HD2  PHE   9           HD2      PHE   9   2.167   4.274  -8.689
   61    HE1  PHE   9           HE1      PHE   9   3.456   7.893 -11.843
   62    HE2  PHE   9           HE2      PHE   9   4.461   4.370  -9.568
   63    HZ   PHE   9           HZ       PHE   9   5.117   6.165 -11.176
   64    H    ALA  10           H        ALA  10  -1.154   4.864  -6.257
   65    HA   ALA  10           HA       ALA  10  -3.461   6.497  -5.539
   66   1HB   ALA  10          1HB       ALA  10  -4.162   5.705  -7.788
   67   2HB   ALA  10          2HB       ALA  10  -3.828   4.030  -7.302
   68   3HB   ALA  10          3HB       ALA  10  -5.133   4.941  -6.518
   69    H    SER  11           H        SER  11  -4.926   5.288  -4.009
   70    HA   SER  11           HA       SER  11  -3.538   3.682  -2.046
   71   2HB   SER  11          2HB       SER  11  -5.428   4.992  -1.303
   72    HG   SER  11           HG       SER  11  -7.364   5.048  -2.533
   73    H    SER  12           H        SER  12  -5.853   2.945  -4.705
   74    HA   SER  12           HA       SER  12  -6.246   0.284  -4.010
   75   2HB   SER  12          2HB       SER  12  -7.699   1.183  -5.611
   76    HG   SER  12           HG       SER  12  -5.577   1.915  -7.329
   77    H    GLU  13           H        GLU  13  -3.538   1.788  -5.642
   78    HA   GLU  13           HA       GLU  13  -2.131  -0.383  -6.719
   79   2HB   GLU  13          2HB       GLU  13  -0.994   1.758  -4.974
   80   2HG   GLU  13          2HG       GLU  13  -0.067   0.525  -7.627
   81    H    CYS  14           H        CYS  14  -2.219   0.891  -3.326
   82    HA   CYS  14           HA       CYS  14  -0.163  -0.583  -2.161
   83   2HB   CYS  14          2HB       CYS  14  -1.194   0.086  -0.126
   84    H    TRP  15           H        TRP  15  -3.433  -1.211  -3.084
   85    HA   TRP  15           HA       TRP  15  -3.902  -3.468  -1.242
   86   2HB   TRP  15          2HB       TRP  15  -5.758  -4.064  -2.669
   87    HD1  TRP  15           HD1      TRP  15  -4.901  -1.159  -0.793
   88    HE1  TRP  15           HE1      TRP  15  -6.895   0.325  -0.259
   89    HE3  TRP  15           HE3      TRP  15  -8.185  -3.071  -4.192
   90    HZ2  TRP  15           HZ2      TRP  15  -9.623   0.676  -1.241
   91    HZ3  TRP  15           HZ3      TRP  15 -10.477  -2.136  -4.389
   92    HH2  TRP  15           HH2      TRP  15 -11.205  -0.272  -2.918
   93    H    THR  16           H        THR  16  -3.347  -3.335  -4.817
   94    HA   THR  16           HA       THR  16  -2.564  -6.030  -5.154
   95    HB   THR  16           HB       THR  16  -1.223  -4.697  -7.117
   96    HG1  THR  16           HG1      THR  16  -1.768  -2.649  -6.152
   97   1HG2  THR  16          1HG2      THR  16  -3.328  -4.778  -8.425
   98   2HG2  THR  16          2HG2      THR  16  -3.105  -6.262  -7.481
   99   3HG2  THR  16          3HG2      THR  16  -4.253  -5.013  -6.929
  100    H    ALA  17           H        ALA  17  -0.642  -3.184  -3.995
  101    HA   ALA  17           HA       ALA  17   1.845  -4.513  -4.342
  102   1HB   ALA  17          1HB       ALA  17   1.172  -2.398  -2.238
  103   2HB   ALA  17          2HB       ALA  17   2.773  -2.801  -2.867
  104   3HB   ALA  17          3HB       ALA  17   1.581  -2.035  -3.929
  105    H    CYS  18           H        CYS  18  -0.160  -4.184  -1.384
  106    HA   CYS  18           HA       CYS  18   1.462  -5.815   0.237
  107   2HB   CYS  18          2HB       CYS  18  -1.457  -6.043   0.714
  108    H    LYS  19           H        LYS  19  -1.149  -6.566  -2.058
  109    HA   LYS  19           HA       LYS  19  -1.380  -9.274  -1.416
  110   2HB   LYS  19          2HB       LYS  19  -2.333  -9.291  -3.844
  111   2HG   LYS  19          2HG       LYS  19  -3.653  -7.264  -2.396
  112   2HD   LYS  19          2HD       LYS  19  -5.353  -9.264  -1.994
  113   2HE   LYS  19          2HE       LYS  19  -5.783  -7.618  -3.783
  114   1HZ   LYS  19          1HZ       LYS  19  -5.214  -8.239  -6.022
  115   2HZ   LYS  19          2HZ       LYS  19  -3.839  -8.034  -5.135
  116   3HZ   LYS  19          3HZ       LYS  19  -4.367  -9.552  -5.502
  117    H    LYS  20           H        LYS  20   0.532  -7.675  -3.898
  118    HA   LYS  20           HA       LYS  20   1.746  -9.910  -5.120
  119   2HB   LYS  20          2HB       LYS  20   3.750  -8.314  -5.497
  120   2HG   LYS  20          2HG       LYS  20   2.510  -6.758  -6.975
  121   2HD   LYS  20          2HD       LYS  20   1.507  -9.611  -7.313
  122   2HE   LYS  20          2HE       LYS  20   2.381  -7.463  -9.315
  123   1HZ   LYS  20          1HZ       LYS  20   1.492  -8.959 -10.934
  124   2HZ   LYS  20          2HZ       LYS  20   2.702  -9.709 -10.113
  125   3HZ   LYS  20          3HZ       LYS  20   1.130 -10.088  -9.797
  126    H    VAL  21           H        VAL  21   3.087  -8.055  -2.278
  127    HA   VAL  21           HA       VAL  21   5.156 -10.000  -1.909
  128    HB   VAL  21           HB       VAL  21   4.725  -8.825   0.568
  129   1HG1  VAL  21          1HG1      VAL  21   6.896  -9.091  -0.642
  130   2HG1  VAL  21          2HG1      VAL  21   6.377  -7.830  -1.791
  131   3HG1  VAL  21          3HG1      VAL  21   6.701  -7.416  -0.090
  132   1HG2  VAL  21          1HG2      VAL  21   3.049  -7.278  -0.319
  133   2HG2  VAL  21          2HG2      VAL  21   4.479  -6.477   0.333
  134   3HG2  VAL  21          3HG2      VAL  21   4.286  -6.600  -1.419
  135    H    THR  22           H        THR  22   2.178  -9.417   0.111
  136    HA   THR  22           HA       THR  22   2.825 -11.920   1.519
  137    HB   THR  22           HB       THR  22   1.902  -9.097   2.134
  138    HG1  THR  22           HG1      THR  22   3.616  -9.359   3.631
  139   1HG2  THR  22          1HG2      THR  22   0.300 -10.346   3.248
  140   2HG2  THR  22          2HG2      THR  22   1.503 -11.498   3.904
  141   3HG2  THR  22          3HG2      THR  22   1.482  -9.793   4.451
  142    H    GLY  23           H        GLY  23   0.229 -10.045   0.022
  143   1HA   GLY  23          1HA       GLY  23  -1.671 -11.378  -0.935
  144   2HA   GLY  23          2HA       GLY  23  -1.679 -12.349   0.516
  145    H    SER  24           H        SER  24  -1.142  -9.464   1.847
  146    HA   SER  24           HA       SER  24  -3.887  -9.549   2.896
  147   2HB   SER  24          2HB       SER  24  -1.556  -7.817   3.804
  148    HG   SER  24           HG       SER  24  -3.844  -8.781   5.201
  149    H    GLY  25           H        GLY  25  -4.613  -8.797   0.682
  150   1HA   GLY  25          1HA       GLY  25  -3.693  -6.496  -0.502
  151   2HA   GLY  25          2HA       GLY  25  -5.202  -7.288  -0.886
  152    H    GLN  26           H        GLN  26  -4.820  -5.556   2.215
  153    HA   GLN  26           HA       GLN  26  -7.024  -3.746   1.390
  154   2HB   GLN  26          2HB       GLN  26  -7.813  -3.986   3.643
  155   2HG   GLN  26          2HG       GLN  26  -7.022  -6.757   2.671
  156   1HE2  GLN  26          1HE2      GLN  26 -10.377  -5.889   2.874
  157   2HE2  GLN  26          2HE2      GLN  26 -10.679  -6.705   4.398
  158    H    GLY  27           H        GLY  27  -6.384  -1.515   1.566
  159   1HA   GLY  27          1HA       GLY  27  -4.650  -0.545   3.617
  160   2HA   GLY  27          2HA       GLY  27  -3.730  -0.863   2.123
  161    H    LYS  28           H        LYS  28  -3.467   1.586   2.552
  162    HA   LYS  28           HA       LYS  28  -4.856   2.834   0.361
  163   2HB   LYS  28          2HB       LYS  28  -5.214   4.990   1.646
  164   2HG   LYS  28          2HG       LYS  28  -7.097   3.129   1.211
  165   2HD   LYS  28          2HD       LYS  28  -7.277   3.746   4.212
  166   2HE   LYS  28          2HE       LYS  28  -9.045   1.992   4.174
  167   1HZ   LYS  28          1HZ       LYS  28  -9.755   4.258   3.765
  168   2HZ   LYS  28          2HZ       LYS  28  -9.584   4.054   2.139
  169   3HZ   LYS  28          3HZ       LYS  28 -10.706   3.184   2.965
  170    H    CYS  29           H        CYS  29  -3.691   4.806  -0.286
  171    HA   CYS  29           HA       CYS  29  -0.808   4.403   0.230
  172   2HB   CYS  29          2HB       CYS  29  -1.468   4.584  -2.267
  173    H    GLN  30           H        GLN  30   0.431   6.303   0.820
  174    HA   GLN  30           HA       GLN  30  -1.083   8.586   2.042
  175   2HB   GLN  30          2HB       GLN  30   1.479   7.314   3.061
  176   2HG   GLN  30          2HG       GLN  30   1.088   9.693   3.698
  177   1HE2  GLN  30          1HE2      GLN  30  -0.143  11.281   4.888
  178   2HE2  GLN  30          2HE2      GLN  30  -1.812  10.971   5.332
  179    H    ASN  31           H        ASN  31  -0.541  10.242   0.572
  180    HA   ASN  31           HA       ASN  31   0.751  11.709  -0.585
  181   2HB   ASN  31          2HB       ASN  31   3.200  11.888   0.200
  182   1HD2  ASN  31          1HD2      ASN  31   2.984  11.759   3.279
  183   2HD2  ASN  31          2HD2      ASN  31   1.945  13.130   3.625
  184    H    ASN  32           H        ASN  32   3.331   9.411  -0.289
  185    HA   ASN  32           HA       ASN  32   2.802   7.943  -2.638
  186   2HB   ASN  32          2HB       ASN  32   4.729   8.322  -4.036
  187   1HD2  ASN  32          1HD2      ASN  32   2.725   9.058  -5.059
  188   2HD2  ASN  32          2HD2      ASN  32   2.372  10.767  -4.853
  189    H    GLN  33           H        GLN  33   2.759   7.194  -0.212
  190    HA   GLN  33           HA       GLN  33   4.867   5.169  -0.022
  191   2HB   GLN  33          2HB       GLN  33   4.476   5.299   2.509
  192   2HG   GLN  33          2HG       GLN  33   5.426   7.996   1.492
  193   1HE2  GLN  33          1HE2      GLN  33   7.600   6.983   3.673
  194   2HE2  GLN  33          2HE2      GLN  33   6.913   7.669   5.133
  195    H    CYS  34           H        CYS  34   3.539   3.354   1.575
  196    HA   CYS  34           HA       CYS  34   0.660   3.567   1.195
  197   2HB   CYS  34          2HB       CYS  34   1.442   0.991   0.233
  198    H    ARG  35           H        ARG  35  -0.576   2.185   2.438
  199    HA   ARG  35           HA       ARG  35   0.959   0.693   4.457
  200   2HB   ARG  35          2HB       ARG  35  -0.294   1.851   6.295
  201   2HG   ARG  35          2HG       ARG  35   1.117   3.717   4.441
  202   2HD   ARG  35          2HD       ARG  35   1.475   3.657   7.426
  203    HE   ARG  35           HE       ARG  35   1.988   5.501   5.172
  204   1HH1  ARG  35          1HH1      ARG  35   2.006   5.190   8.678
  205   2HH1  ARG  35          2HH1      ARG  35   3.233   6.378   8.967
  206   1HH2  ARG  35          1HH2      ARG  35   3.745   7.128   5.520
  207   2HH2  ARG  35          2HH2      ARG  35   4.162   7.533   7.140
  208    H    CYS  36           H        CYS  36  -0.034  -0.930   5.367
  209    HA   CYS  36           HA       CYS  36  -2.497  -1.834   3.866
  210   2HB   CYS  36          2HB       CYS  36   0.258  -3.017   4.085
  211    H    TYR  37           H        TYR  37  -3.527  -3.790   4.847
  212    HA   TYR  37           HA       TYR  37  -3.470  -3.784   7.794
  213   2HB   TYR  37          2HB       TYR  37  -5.091  -5.423   5.840
  214    HD1  TYR  37           HD1      TYR  37  -6.359  -7.176   6.741
  215    HD2  TYR  37           HD2      TYR  37  -5.086  -3.987   9.360
  216    HE1  TYR  37           HE1      TYR  37  -7.367  -8.341   8.659
  217    HE2  TYR  37           HE2      TYR  37  -6.002  -5.214  11.292
  218    HH   TYR  37           HH       TYR  37  -7.694  -8.343  10.954
  Start of MODEL   22
    1   1H    PHE   1          1H        PHE   1   2.347  -5.642   9.818
    2    HA   PHE   1           HA       PHE   1   0.793  -5.056   7.567
    3   2HB   PHE   1          2HB       PHE   1  -1.135  -3.980   8.660
    4    HD1  PHE   1           HD1      PHE   1  -1.792  -6.229  11.186
    5    HD2  PHE   1           HD2      PHE   1  -1.386  -6.071   6.893
    6    HE1  PHE   1           HE1      PHE   1  -3.366  -8.124  10.969
    7    HE2  PHE   1           HE2      PHE   1  -2.976  -7.960   6.683
    8    HZ   PHE   1           HZ       PHE   1  -3.967  -8.993   8.718
    9    H    GLY   2           H        GLY   2   0.271  -2.521   7.719
   10   1HA   GLY   2          1HA       GLY   2   0.608  -0.581   9.020
   11   2HA   GLY   2          2HA       GLY   2   2.255  -1.090   9.465
   12    H    LEU   3           H        LEU   3   3.696   0.212   8.350
   13    HA   LEU   3           HA       LEU   3   2.736   1.489   5.849
   14   2HB   LEU   3          2HB       LEU   3   2.806   3.058   7.758
   15    HG   LEU   3           HG       LEU   3   5.710   2.107   8.014
   16   1HD1  LEU   3          1HD1      LEU   3   6.280   4.311   9.003
   17   2HD1  LEU   3          2HD1      LEU   3   5.886   4.460   7.285
   18   3HD1  LEU   3          3HD1      LEU   3   4.711   4.982   8.513
   19   1HD2  LEU   3          1HD2      LEU   3   5.243   2.606  10.405
   20   2HD2  LEU   3          2HD2      LEU   3   3.634   3.237  10.021
   21   3HD2  LEU   3          3HD2      LEU   3   4.000   1.517   9.789
   22    H    ILE   4           H        ILE   4   3.960   1.844   4.086
   23    HA   ILE   4           HA       ILE   4   6.513   0.379   3.976
   24    HB   ILE   4           HB       ILE   4   5.569  -0.731   2.151
   25   2HG1  ILE   4          2HG1      ILE   4   4.296   1.749   1.396
   26   1HG2  ILE   4          1HG2      ILE   4   3.378  -1.598   2.727
   27   2HG2  ILE   4          2HG2      ILE   4   4.320  -1.390   4.209
   28   3HG2  ILE   4          3HG2      ILE   4   3.026  -0.236   3.807
   29   1HD1  ILE   4          1HD1      ILE   4   5.619   0.228  -0.008
   30   2HD1  ILE   4          2HD1      ILE   4   4.328  -0.996   0.127
   31   3HD1  ILE   4          3HD1      ILE   4   3.995   0.562  -0.668
   32    H    ASP   5           H        ASP   5   7.669   1.177   1.837
   33    HA   ASP   5           HA       ASP   5   6.754   3.870   1.025
   34   2HB   ASP   5          2HB       ASP   5   9.680   3.405   1.624
   35    H    VAL   6           H        VAL   6   5.815   2.741  -0.533
   36    HA   VAL   6           HA       VAL   6   7.621   2.698  -2.890
   37    HB   VAL   6           HB       VAL   6   5.266   0.801  -2.556
   38   1HG1  VAL   6          1HG1      VAL   6   5.289   1.663  -4.850
   39   2HG1  VAL   6          2HG1      VAL   6   7.037   1.360  -4.971
   40   3HG1  VAL   6          3HG1      VAL   6   5.900   0.008  -4.830
   41   1HG2  VAL   6          1HG2      VAL   6   6.993  -0.947  -2.902
   42   2HG2  VAL   6          2HG2      VAL   6   8.251   0.299  -2.986
   43   3HG2  VAL   6          3HG2      VAL   6   7.385   0.013  -1.472
   44    H    LYS   7           H        LYS   7   6.884   3.954  -4.546
   45    HA   LYS   7           HA       LYS   7   5.314   6.158  -3.700
   46   2HB   LYS   7          2HB       LYS   7   5.631   6.786  -6.201
   47   2HG   LYS   7          2HG       LYS   7   6.911   7.836  -4.307
   48   2HD   LYS   7          2HD       LYS   7   9.441   7.332  -4.612
   49   2HE   LYS   7          2HE       LYS   7   9.710   5.804  -2.804
   50   1HZ   LYS   7          1HZ       LYS   7   7.217   7.230  -2.135
   51   2HZ   LYS   7          2HZ       LYS   7   8.389   6.647  -1.165
   52   3HZ   LYS   7          3HZ       LYS   7   8.726   7.939  -2.128
   53    H    CYS   8           H        CYS   8   3.153   6.023  -3.429
   54    HA   CYS   8           HA       CYS   8   1.378   4.416  -5.037
   55   2HB   CYS   8          2HB       CYS   8   0.920   5.132  -2.907
   56    H    PHE   9           H        PHE   9   0.795   4.807  -7.048
   57    HA   PHE   9           HA       PHE   9   0.262   7.492  -8.172
   58   2HB   PHE   9          2HB       PHE   9  -0.907   6.099  -9.906
   59    HD1  PHE   9           HD1      PHE   9   2.157   4.202  -8.822
   60    HD2  PHE   9           HD2      PHE   9   0.538   7.217 -11.460
   61    HE1  PHE   9           HE1      PHE   9   4.299   4.296 -10.033
   62    HE2  PHE   9           HE2      PHE   9   2.677   7.267 -12.706
   63    HZ   PHE   9           HZ       PHE   9   4.570   5.819 -11.990
   64    H    ALA  10           H        ALA  10  -1.238   4.709  -6.416
   65    HA   ALA  10           HA       ALA  10  -3.442   6.426  -5.565
   66   1HB   ALA  10          1HB       ALA  10  -4.001   4.082  -7.442
   67   2HB   ALA  10          2HB       ALA  10  -5.230   5.036  -6.586
   68   3HB   ALA  10          3HB       ALA  10  -4.234   5.800  -7.836
   69    H    SER  11           H        SER  11  -4.760   5.458  -3.954
   70    HA   SER  11           HA       SER  11  -3.609   3.644  -2.104
   71   2HB   SER  11          2HB       SER  11  -6.064   3.365  -1.391
   72    HG   SER  11           HG       SER  11  -5.124   6.033  -1.811
   73    H    SER  12           H        SER  12  -5.726   2.908  -4.944
   74    HA   SER  12           HA       SER  12  -6.223   0.248  -4.199
   75   2HB   SER  12          2HB       SER  12  -7.682   0.983  -5.815
   76    HG   SER  12           HG       SER  12  -6.958   2.429  -7.507
   77    H    GLU  13           H        GLU  13  -3.330   1.742  -5.397
   78    HA   GLU  13           HA       GLU  13  -2.106  -0.540  -6.669
   79   2HB   GLU  13          2HB       GLU  13  -0.914   1.704  -5.114
   80   2HG   GLU  13          2HG       GLU  13   0.018   0.321  -7.684
   81    H    CYS  14           H        CYS  14  -2.105   0.919  -3.382
   82    HA   CYS  14           HA       CYS  14  -0.069  -0.476  -2.099
   83   2HB   CYS  14          2HB       CYS  14  -1.139   0.293  -0.126
   84    H    TRP  15           H        TRP  15  -3.285  -1.179  -3.077
   85    HA   TRP  15           HA       TRP  15  -3.823  -3.391  -1.217
   86   2HB   TRP  15          2HB       TRP  15  -5.615  -4.006  -2.769
   87    HD1  TRP  15           HD1      TRP  15  -4.810  -1.085  -0.812
   88    HE1  TRP  15           HE1      TRP  15  -6.850   0.330  -0.285
   89    HE3  TRP  15           HE3      TRP  15  -7.981  -3.051  -4.266
   90    HZ2  TRP  15           HZ2      TRP  15  -9.566   0.639  -1.322
   91    HZ3  TRP  15           HZ3      TRP  15 -10.293  -2.162  -4.512
   92    HH2  TRP  15           HH2      TRP  15 -11.091  -0.325  -3.043
   93    H    THR  16           H        THR  16  -3.189  -3.411  -4.798
   94    HA   THR  16           HA       THR  16  -2.424  -6.138  -4.931
   95    HB   THR  16           HB       THR  16  -1.237  -4.999  -7.086
   96    HG1  THR  16           HG1      THR  16  -2.333  -3.074  -7.567
   97   1HG2  THR  16          1HG2      THR  16  -3.176  -6.535  -7.171
   98   2HG2  THR  16          2HG2      THR  16  -4.256  -5.214  -6.657
   99   3HG2  THR  16          3HG2      THR  16  -3.439  -5.142  -8.231
  100    H    ALA  17           H        ALA  17  -0.576  -3.223  -3.924
  101    HA   ALA  17           HA       ALA  17   1.971  -4.504  -4.150
  102   1HB   ALA  17          1HB       ALA  17   2.796  -2.763  -2.661
  103   2HB   ALA  17          2HB       ALA  17   1.649  -2.027  -3.791
  104   3HB   ALA  17          3HB       ALA  17   1.166  -2.366  -2.117
  105    H    CYS  18           H        CYS  18  -0.241  -4.171  -1.356
  106    HA   CYS  18           HA       CYS  18   1.209  -5.700   0.494
  107   2HB   CYS  18          2HB       CYS  18  -1.807  -5.785   0.459
  108    H    LYS  19           H        LYS  19  -1.112  -6.585  -2.052
  109    HA   LYS  19           HA       LYS  19  -1.378  -9.278  -1.368
  110   2HB   LYS  19          2HB       LYS  19  -2.115  -9.472  -3.753
  111   2HG   LYS  19          2HG       LYS  19  -3.356  -7.155  -2.583
  112   2HD   LYS  19          2HD       LYS  19  -5.440  -8.597  -2.949
  113   2HE   LYS  19          2HE       LYS  19  -3.719  -8.427  -5.468
  114   1HZ   LYS  19          1HZ       LYS  19  -5.836  -8.381  -6.575
  115   2HZ   LYS  19          2HZ       LYS  19  -5.681  -9.783  -5.736
  116   3HZ   LYS  19          3HZ       LYS  19  -6.646  -8.581  -5.161
  117    H    LYS  20           H        LYS  20   0.619  -7.639  -3.807
  118    HA   LYS  20           HA       LYS  20   2.012  -9.824  -4.774
  119   2HB   LYS  20          2HB       LYS  20   3.940  -8.002  -5.170
  120   2HG   LYS  20          2HG       LYS  20   2.737  -7.079  -7.071
  121   2HD   LYS  20          2HD       LYS  20   2.184  -9.003  -8.303
  122   2HE   LYS  20          2HE       LYS  20   4.625  -8.894  -7.297
  123   1HZ   LYS  20          1HZ       LYS  20   4.182 -10.267  -5.270
  124   2HZ   LYS  20          2HZ       LYS  20   3.650 -11.481  -6.221
  125   3HZ   LYS  20          3HZ       LYS  20   5.211 -11.000  -6.297
  126    H    VAL  21           H        VAL  21   3.040  -7.855  -1.900
  127    HA   VAL  21           HA       VAL  21   5.225  -9.625  -1.397
  128    HB   VAL  21           HB       VAL  21   4.231  -8.655   1.087
  129   1HG1  VAL  21          1HG1      VAL  21   6.320  -7.224   0.870
  130   2HG1  VAL  21          2HG1      VAL  21   6.626  -8.881   0.291
  131   3HG1  VAL  21          3HG1      VAL  21   6.286  -7.576  -0.880
  132   1HG2  VAL  21          1HG2      VAL  21   2.818  -7.045  -0.031
  133   2HG2  VAL  21          2HG2      VAL  21   4.129  -6.262   0.842
  134   3HG2  VAL  21          3HG2      VAL  21   4.218  -6.385  -0.923
  135    H    THR  22           H        THR  22   1.927  -9.533   0.056
  136    HA   THR  22           HA       THR  22   2.496 -12.253   1.223
  137    HB   THR  22           HB       THR  22   0.883 -11.585   2.971
  138    HG1  THR  22           HG1      THR  22   1.030  -9.021   1.718
  139   1HG2  THR  22          1HG2      THR  22   3.212  -9.638   2.780
  140   2HG2  THR  22          2HG2      THR  22   2.348 -10.141   4.237
  141   3HG2  THR  22          3HG2      THR  22   3.325 -11.319   3.341
  142    H    GLY  23           H        GLY  23  -0.215 -10.179   0.480
  143   1HA   GLY  23          1HA       GLY  23  -1.801 -11.514  -1.341
  144   2HA   GLY  23          2HA       GLY  23  -1.950 -12.575   0.057
  145    H    SER  24           H        SER  24  -1.703  -9.993   1.847
  146    HA   SER  24           HA       SER  24  -4.612  -9.979   2.223
  147   2HB   SER  24          2HB       SER  24  -3.463 -10.331   4.192
  148    HG   SER  24           HG       SER  24  -1.553  -9.170   4.718
  149    H    GLY  25           H        GLY  25  -4.862  -8.887   0.138
  150   1HA   GLY  25          1HA       GLY  25  -3.684  -6.566  -0.639
  151   2HA   GLY  25          2HA       GLY  25  -5.213  -7.164  -1.251
  152    H    GLN  26           H        GLN  26  -4.658  -5.600   1.930
  153    HA   GLN  26           HA       GLN  26  -7.011  -3.865   1.404
  154   2HB   GLN  26          2HB       GLN  26  -7.574  -4.397   3.710
  155   2HG   GLN  26          2HG       GLN  26  -6.740  -6.970   2.275
  156   1HE2  GLN  26          1HE2      GLN  26  -9.626  -5.542   3.951
  157   2HE2  GLN  26          2HE2      GLN  26  -9.707  -6.863   5.114
  158    H    GLY  27           H        GLY  27  -6.079  -1.765   1.174
  159   1HA   GLY  27          1HA       GLY  27  -4.488  -0.692   3.404
  160   2HA   GLY  27          2HA       GLY  27  -3.614  -1.000   1.878
  161    H    LYS  28           H        LYS  28  -3.245   1.385   2.178
  162    HA   LYS  28           HA       LYS  28  -4.915   2.867   0.368
  163   2HB   LYS  28          2HB       LYS  28  -4.752   3.780   3.296
  164   2HG   LYS  28          2HG       LYS  28  -6.479   4.963   1.070
  165   2HD   LYS  28          2HD       LYS  28  -6.602   6.906   2.624
  166   2HE   LYS  28          2HE       LYS  28  -7.901   6.016   4.503
  167   1HZ   LYS  28          1HZ       LYS  28  -8.409   4.377   2.114
  168   2HZ   LYS  28          2HZ       LYS  28  -9.480   4.698   3.315
  169   3HZ   LYS  28          3HZ       LYS  28  -8.959   5.914   2.339
  170    H    CYS  29           H        CYS  29  -3.818   4.733  -0.386
  171    HA   CYS  29           HA       CYS  29  -0.921   4.502   0.139
  172   2HB   CYS  29          2HB       CYS  29  -1.629   4.681  -2.374
  173    H    GLN  30           H        GLN  30   0.280   6.618   0.441
  174    HA   GLN  30           HA       GLN  30  -1.321   8.898   1.327
  175   2HB   GLN  30          2HB       GLN  30   0.981   7.781   2.980
  176   2HG   GLN  30          2HG       GLN  30   0.833  10.123   3.357
  177   1HE2  GLN  30          1HE2      GLN  30  -2.321   9.272   4.871
  178   2HE2  GLN  30          2HE2      GLN  30  -3.206  10.538   4.044
  179    H    ASN  31           H        ASN  31  -0.350  10.708   0.508
  180    HA   ASN  31           HA       ASN  31   1.124  12.071  -0.446
  181   2HB   ASN  31          2HB       ASN  31   3.315  10.563   1.094
  182   1HD2  ASN  31          1HD2      ASN  31   1.884  13.833   1.321
  183   2HD2  ASN  31          2HD2      ASN  31   3.331  14.653   0.761
  184    H    ASN  32           H        ASN  32   3.436   9.462  -0.470
  185    HA   ASN  32           HA       ASN  32   2.706   8.207  -2.808
  186   2HB   ASN  32          2HB       ASN  32   4.688   8.424  -4.260
  187   1HD2  ASN  32          1HD2      ASN  32   2.506   9.077  -5.138
  188   2HD2  ASN  32          2HD2      ASN  32   2.155  10.790  -4.952
  189    H    GLN  33           H        GLN  33   2.682   7.296  -0.569
  190    HA   GLN  33           HA       GLN  33   4.708   5.225  -0.293
  191   2HB   GLN  33          2HB       GLN  33   4.378   5.568   2.259
  192   2HG   GLN  33          2HG       GLN  33   6.460   6.092   0.873
  193   1HE2  GLN  33          1HE2      GLN  33   8.229   7.773   1.223
  194   2HE2  GLN  33          2HE2      GLN  33   7.822   9.434   0.721
  195    H    CYS  34           H        CYS  34   3.417   3.632   1.530
  196    HA   CYS  34           HA       CYS  34   0.548   3.874   1.255
  197   2HB   CYS  34          2HB       CYS  34   1.191   1.248   0.384
  198    H    ARG  35           H        ARG  35  -0.616   2.208   2.320
  199    HA   ARG  35           HA       ARG  35   0.910   0.894   4.462
  200   2HB   ARG  35          2HB       ARG  35  -0.895   1.655   6.080
  201   2HG   ARG  35          2HG       ARG  35   0.989   3.681   4.802
  202   2HD   ARG  35          2HD       ARG  35  -1.236   4.189   6.641
  203    HE   ARG  35           HE       ARG  35   0.610   3.775   8.006
  204   1HH1  ARG  35          1HH1      ARG  35   0.905   6.795   6.213
  205   2HH1  ARG  35          2HH1      ARG  35   1.910   7.611   7.365
  206   1HH2  ARG  35          1HH2      ARG  35   1.857   4.920   9.691
  207   2HH2  ARG  35          2HH2      ARG  35   2.497   6.498   9.369
  208    H    CYS  36           H        CYS  36  -0.228  -0.840   5.446
  209    HA   CYS  36           HA       CYS  36  -2.598  -1.869   3.973
  210   2HB   CYS  36          2HB       CYS  36  -0.035  -3.438   4.372
  211    H    TYR  37           H        TYR  37  -3.953  -3.021   5.277
  212    HA   TYR  37           HA       TYR  37  -3.662  -1.897   7.909
  213   2HB   TYR  37          2HB       TYR  37  -5.716  -1.916   6.262
  214    HD1  TYR  37           HD1      TYR  37  -5.228  -5.039   6.172
  215    HD2  TYR  37           HD2      TYR  37  -8.135  -2.510   8.120
  216    HE1  TYR  37           HE1      TYR  37  -6.829  -6.922   6.255
  217    HE2  TYR  37           HE2      TYR  37  -9.763  -4.360   8.091
  218    HH   TYR  37           HH       TYR  37 -10.117  -6.590   7.600
  Start of MODEL   23
    1   1H    PHE   1          1H        PHE   1  -2.245  -0.506   7.543
    2    HA   PHE   1           HA       PHE   1  -1.630   0.200  10.338
    3   2HB   PHE   1          2HB       PHE   1  -2.080  -2.580   9.175
    4    HD1  PHE   1           HD1      PHE   1  -0.528  -3.454  11.013
    5    HD2  PHE   1           HD2      PHE   1  -4.008  -1.053  11.903
    6    HE1  PHE   1           HE1      PHE   1  -0.463  -4.214  13.373
    7    HE2  PHE   1           HE2      PHE   1  -3.942  -1.833  14.250
    8    HZ   PHE   1           HZ       PHE   1  -2.174  -3.412  14.992
    9    H    GLY   2           H        GLY   2  -0.509  -1.628   7.619
   10   1HA   GLY   2          1HA       GLY   2   2.115  -2.370   7.991
   11   2HA   GLY   2          2HA       GLY   2   1.431  -1.778   6.512
   12    H    LEU   3           H        LEU   3   4.110  -1.090   6.767
   13    HA   LEU   3           HA       LEU   3   3.404   1.485   5.871
   14   2HB   LEU   3          2HB       LEU   3   3.975   2.311   8.111
   15    HG   LEU   3           HG       LEU   3   6.609   0.848   7.557
   16   1HD1  LEU   3          1HD1      LEU   3   7.114   3.242   7.980
   17   2HD1  LEU   3          2HD1      LEU   3   6.122   3.237   9.456
   18   3HD1  LEU   3          3HD1      LEU   3   7.606   2.266   9.371
   19   1HD2  LEU   3          1HD2      LEU   3   5.075  -0.373   9.085
   20   2HD2  LEU   3          2HD2      LEU   3   6.388   0.306  10.043
   21   3HD2  LEU   3          3HD2      LEU   3   4.796   1.085  10.063
   22    H    ILE   4           H        ILE   4   4.312   1.566   3.857
   23    HA   ILE   4           HA       ILE   4   6.823   0.094   3.402
   24    HB   ILE   4           HB       ILE   4   5.763  -1.044   1.652
   25   2HG1  ILE   4          2HG1      ILE   4   4.248   1.250   1.108
   26   1HG2  ILE   4          1HG2      ILE   4   4.952  -1.920   3.847
   27   2HG2  ILE   4          2HG2      ILE   4   3.505  -0.878   3.726
   28   3HG2  ILE   4          3HG2      ILE   4   3.789  -2.168   2.544
   29   1HD1  ILE   4          1HD1      ILE   4   3.839  -1.583   0.132
   30   2HD1  ILE   4          2HD1      ILE   4   3.388  -0.074  -0.711
   31   3HD1  ILE   4          3HD1      ILE   4   5.111  -0.477  -0.453
   32    H    ASP   5           H        ASP   5   7.814   0.865   1.307
   33    HA   ASP   5           HA       ASP   5   7.799   3.804   1.383
   34   2HB   ASP   5          2HB       ASP   5   9.877   2.416   1.673
   35    H    VAL   6           H        VAL   6   6.302   1.384  -0.538
   36    HA   VAL   6           HA       VAL   6   7.383   2.202  -3.029
   37    HB   VAL   6           HB       VAL   6   4.945   0.479  -2.519
   38   1HG1  VAL   6          1HG1      VAL   6   5.418  -0.403  -4.799
   39   2HG1  VAL   6          2HG1      VAL   6   4.907   1.287  -4.831
   40   3HG1  VAL   6          3HG1      VAL   6   6.626   0.876  -5.031
   41   1HG2  VAL   6          1HG2      VAL   6   7.114  -0.390  -1.529
   42   2HG2  VAL   6          2HG2      VAL   6   6.560  -1.376  -2.886
   43   3HG2  VAL   6          3HG2      VAL   6   7.876  -0.207  -3.113
   44    H    LYS   7           H        LYS   7   6.758   3.524  -4.564
   45    HA   LYS   7           HA       LYS   7   5.344   5.840  -3.955
   46   2HB   LYS   7          2HB       LYS   7   5.460   6.255  -6.449
   47   2HG   LYS   7          2HG       LYS   7   7.176   7.060  -4.819
   48   2HD   LYS   7          2HD       LYS   7   8.650   4.563  -5.775
   49   2HE   LYS   7          2HE       LYS   7   9.684   6.975  -4.199
   50   1HZ   LYS   7          1HZ       LYS   7  10.733   4.877  -3.604
   51   2HZ   LYS   7          2HZ       LYS   7  11.132   4.602  -5.179
   52   3HZ   LYS   7          3HZ       LYS   7  11.783   5.879  -4.381
   53    H    CYS   8           H        CYS   8   3.247   5.713  -3.333
   54    HA   CYS   8           HA       CYS   8   1.165   4.320  -4.819
   55   2HB   CYS   8          2HB       CYS   8   1.129   5.191  -2.506
   56    H    PHE   9           H        PHE   9   0.493   4.919  -6.812
   57    HA   PHE   9           HA       PHE   9   0.178   7.825  -7.453
   58   2HB   PHE   9          2HB       PHE   9  -0.922   6.896  -9.524
   59    HD1  PHE   9           HD1      PHE   9   0.528   8.630 -10.382
   60    HD2  PHE   9           HD2      PHE   9   2.204   4.911  -8.970
   61    HE1  PHE   9           HE1      PHE   9   2.704   9.226 -11.394
   62    HE2  PHE   9           HE2      PHE   9   4.378   5.513  -9.991
   63    HZ   PHE   9           HZ       PHE   9   4.634   7.667 -11.210
   64    H    ALA  10           H        ALA  10  -1.309   5.103  -5.859
   65    HA   ALA  10           HA       ALA  10  -3.620   6.594  -5.162
   66   1HB   ALA  10          1HB       ALA  10  -5.308   5.133  -6.276
   67   2HB   ALA  10          2HB       ALA  10  -4.371   6.036  -7.472
   68   3HB   ALA  10          3HB       ALA  10  -4.009   4.323  -7.177
   69    H    SER  11           H        SER  11  -4.701   5.557  -3.501
   70    HA   SER  11           HA       SER  11  -3.562   3.600  -1.824
   71   2HB   SER  11          2HB       SER  11  -5.980   3.275  -1.105
   72    HG   SER  11           HG       SER  11  -4.977   5.953  -1.347
   73    H    SER  12           H        SER  12  -5.706   3.130  -4.687
   74    HA   SER  12           HA       SER  12  -6.253   0.435  -4.137
   75   2HB   SER  12          2HB       SER  12  -7.705   1.475  -5.614
   76    HG   SER  12           HG       SER  12  -5.655   2.429  -7.290
   77    H    GLU  13           H        GLU  13  -3.276   1.917  -5.357
   78    HA   GLU  13           HA       GLU  13  -2.367  -0.511  -6.680
   79   2HB   GLU  13          2HB       GLU  13  -0.493   1.249  -5.292
   80   2HG   GLU  13          2HG       GLU  13   0.800   1.113  -7.442
   81    H    CYS  14           H        CYS  14  -1.952   1.029  -3.408
   82    HA   CYS  14           HA       CYS  14  -0.067  -0.508  -2.199
   83   2HB   CYS  14          2HB       CYS  14  -1.063   0.168  -0.164
   84    H    TRP  15           H        TRP  15  -3.268  -1.192  -3.112
   85    HA   TRP  15           HA       TRP  15  -3.795  -3.438  -1.288
   86   2HB   TRP  15          2HB       TRP  15  -5.636  -3.971  -2.883
   87    HD1  TRP  15           HD1      TRP  15  -4.770  -1.191  -0.734
   88    HE1  TRP  15           HE1      TRP  15  -6.787   0.204  -0.084
   89    HE3  TRP  15           HE3      TRP  15  -8.012  -2.933  -4.232
   90    HZ2  TRP  15           HZ2      TRP  15  -9.547   0.533  -1.003
   91    HZ3  TRP  15           HZ3      TRP  15 -10.349  -2.068  -4.342
   92    HH2  TRP  15           HH2      TRP  15 -11.120  -0.346  -2.726
   93    H    THR  16           H        THR  16  -3.239  -3.291  -4.863
   94    HA   THR  16           HA       THR  16  -2.426  -5.971  -5.164
   95    HB   THR  16           HB       THR  16  -1.265  -4.676  -7.241
   96    HG1  THR  16           HG1      THR  16  -1.744  -2.603  -6.746
   97   1HG2  THR  16          1HG2      THR  16  -4.252  -5.134  -6.838
   98   2HG2  THR  16          2HG2      THR  16  -3.434  -4.931  -8.399
   99   3HG2  THR  16          3HG2      THR  16  -3.081  -6.352  -7.399
  100    H    ALA  17           H        ALA  17  -0.612  -3.123  -3.942
  101    HA   ALA  17           HA       ALA  17   1.980  -4.300  -4.240
  102   1HB   ALA  17          1HB       ALA  17   2.787  -2.606  -2.810
  103   2HB   ALA  17          2HB       ALA  17   1.536  -1.867  -3.827
  104   3HB   ALA  17          3HB       ALA  17   1.186  -2.300  -2.132
  105    H    CYS  18           H        CYS  18  -0.064  -4.075  -1.284
  106    HA   CYS  18           HA       CYS  18   1.627  -5.789   0.198
  107   2HB   CYS  18          2HB       CYS  18  -0.862  -6.198   1.273
  108    H    LYS  19           H        LYS  19  -1.008  -6.455  -2.089
  109    HA   LYS  19           HA       LYS  19  -1.130  -9.213  -1.584
  110   2HB   LYS  19          2HB       LYS  19  -2.191  -9.194  -3.861
  111   2HG   LYS  19          2HG       LYS  19  -3.494  -7.190  -2.470
  112   2HD   LYS  19          2HD       LYS  19  -5.059  -9.131  -1.818
  113   2HE   LYS  19          2HE       LYS  19  -4.345  -8.928  -4.794
  114   1HZ   LYS  19          1HZ       LYS  19  -5.840 -10.744  -4.301
  115   2HZ   LYS  19          2HZ       LYS  19  -6.869  -9.736  -3.505
  116   3HZ   LYS  19          3HZ       LYS  19  -6.622  -9.554  -5.117
  117    H    LYS  20           H        LYS  20   0.727  -7.374  -3.971
  118    HA   LYS  20           HA       LYS  20   1.982  -9.455  -5.408
  119   2HB   LYS  20          2HB       LYS  20   3.918  -7.754  -5.670
  120   2HG   LYS  20          2HG       LYS  20   1.112  -7.290  -6.637
  121   2HD   LYS  20          2HD       LYS  20   3.516  -5.450  -7.128
  122   2HE   LYS  20          2HE       LYS  20   0.691  -5.464  -8.278
  123   1HZ   LYS  20          1HZ       LYS  20   1.275  -3.176  -9.058
  124   2HZ   LYS  20          2HZ       LYS  20   0.842  -3.213  -7.522
  125   3HZ   LYS  20          3HZ       LYS  20   2.402  -3.065  -7.879
  126    H    VAL  21           H        VAL  21   3.206  -7.796  -2.392
  127    HA   VAL  21           HA       VAL  21   5.336  -9.697  -2.093
  128    HB   VAL  21           HB       VAL  21   4.760  -8.763   0.446
  129   1HG1  VAL  21          1HG1      VAL  21   6.991  -8.825  -0.675
  130   2HG1  VAL  21          2HG1      VAL  21   6.460  -7.490  -1.734
  131   3HG1  VAL  21          3HG1      VAL  21   6.693  -7.215   0.012
  132   1HG2  VAL  21          1HG2      VAL  21   4.317  -6.378  -1.333
  133   2HG2  VAL  21          2HG2      VAL  21   3.063  -7.243  -0.396
  134   3HG2  VAL  21          3HG2      VAL  21   4.395  -6.434   0.436
  135    H    THR  22           H        THR  22   2.293  -9.384  -0.044
  136    HA   THR  22           HA       THR  22   2.940 -12.044   0.988
  137    HB   THR  22           HB       THR  22   1.700  -9.418   1.941
  138    HG1  THR  22           HG1      THR  22   4.017 -10.891   2.637
  139   1HG2  THR  22          1HG2      THR  22   1.536 -10.473   4.134
  140   2HG2  THR  22          2HG2      THR  22   0.416 -11.090   2.903
  141   3HG2  THR  22          3HG2      THR  22   1.842 -12.066   3.361
  142    H    GLY  23           H        GLY  23   0.249  -9.955  -0.038
  143   1HA   GLY  23          1HA       GLY  23  -1.659 -11.338  -1.186
  144   2HA   GLY  23          2HA       GLY  23  -1.655 -12.281   0.297
  145    H    SER  24           H        SER  24  -0.968  -9.528   1.667
  146    HA   SER  24           HA       SER  24  -3.585  -9.426   2.800
  147   2HB   SER  24          2HB       SER  24  -2.531  -7.961   4.441
  148    HG   SER  24           HG       SER  24  -0.833  -9.365   4.971
  149    H    GLY  25           H        GLY  25  -4.417  -8.661   0.521
  150   1HA   GLY  25          1HA       GLY  25  -3.587  -6.313  -0.591
  151   2HA   GLY  25          2HA       GLY  25  -5.102  -7.071  -0.973
  152    H    GLN  26           H        GLN  26  -5.428  -6.162   2.280
  153    HA   GLN  26           HA       GLN  26  -7.320  -4.055   1.427
  154   2HB   GLN  26          2HB       GLN  26  -8.261  -4.324   3.615
  155   2HG   GLN  26          2HG       GLN  26  -7.528  -7.079   2.520
  156   1HE2  GLN  26          1HE2      GLN  26 -10.856  -6.444   2.874
  157   2HE2  GLN  26          2HE2      GLN  26 -11.053  -7.260   4.414
  158    H    GLY  27           H        GLY  27  -6.373  -1.975   1.336
  159   1HA   GLY  27          1HA       GLY  27  -4.745  -1.012   3.568
  160   2HA   GLY  27          2HA       GLY  27  -3.852  -1.396   2.063
  161    H    LYS  28           H        LYS  28  -3.224   0.892   2.211
  162    HA   LYS  28           HA       LYS  28  -4.820   2.630   0.596
  163   2HB   LYS  28          2HB       LYS  28  -4.533   4.145   3.063
  164   2HG   LYS  28          2HG       LYS  28  -7.034   3.097   1.692
  165   2HD   LYS  28          2HD       LYS  28  -6.531   5.298   3.755
  166   2HE   LYS  28          2HE       LYS  28  -8.047   6.185   2.039
  167   1HZ   LYS  28          1HZ       LYS  28  -9.017   4.132   1.254
  168   2HZ   LYS  28          2HZ       LYS  28  -9.766   3.878   2.700
  169   3HZ   LYS  28          3HZ       LYS  28 -10.194   5.161   1.762
  170    H    CYS  29           H        CYS  29  -3.721   4.600   0.075
  171    HA   CYS  29           HA       CYS  29  -0.800   4.275   0.495
  172   2HB   CYS  29          2HB       CYS  29  -1.690   4.667  -2.005
  173    H    GLN  30           H        GLN  30   0.417   6.258   0.911
  174    HA   GLN  30           HA       GLN  30  -1.050   8.616   1.926
  175   2HB   GLN  30          2HB       GLN  30   1.454   7.477   3.202
  176   2HG   GLN  30          2HG       GLN  30  -0.539   9.485   4.353
  177   1HE2  GLN  30          1HE2      GLN  30   0.123   7.738   6.176
  178   2HE2  GLN  30          2HE2      GLN  30   1.540   8.218   7.102
  179    H    ASN  31           H        ASN  31  -0.150  10.326   0.726
  180    HA   ASN  31           HA       ASN  31   1.390  11.654  -0.211
  181   2HB   ASN  31          2HB       ASN  31   3.385   9.933   1.365
  182   1HD2  ASN  31          1HD2      ASN  31   5.290  10.449   0.291
  183   2HD2  ASN  31          2HD2      ASN  31   5.779  12.110  -0.050
  184    H    ASN  32           H        ASN  32   3.569   8.938  -0.309
  185    HA   ASN  32           HA       ASN  32   2.861   7.839  -2.791
  186   2HB   ASN  32          2HB       ASN  32   5.020   8.139  -4.054
  187   1HD2  ASN  32          1HD2      ASN  32   2.739   8.907  -4.878
  188   2HD2  ASN  32          2HD2      ASN  32   2.514  10.640  -4.705
  189    H    GLN  33           H        GLN  33   2.807   6.883  -0.395
  190    HA   GLN  33           HA       GLN  33   4.768   4.748  -0.204
  191   2HB   GLN  33          2HB       GLN  33   4.775   5.229   2.315
  192   2HG   GLN  33          2HG       GLN  33   6.696   5.854   0.644
  193   1HE2  GLN  33          1HE2      GLN  33   8.381   7.816   1.051
  194   2HE2  GLN  33          2HE2      GLN  33   7.746   9.384   0.593
  195    H    CYS  34           H        CYS  34   3.583   3.239   1.741
  196    HA   CYS  34           HA       CYS  34   0.682   3.546   1.574
  197   2HB   CYS  34          2HB       CYS  34   1.327   0.994   0.420
  198    H    ARG  35           H        ARG  35  -0.468   1.607   2.346
  199    HA   ARG  35           HA       ARG  35   1.007   0.030   4.365
  200   2HB   ARG  35          2HB       ARG  35  -0.612   0.613   6.100
  201   2HG   ARG  35          2HG       ARG  35   0.376   3.115   4.772
  202   2HD   ARG  35          2HD       ARG  35  -1.279   3.468   6.640
  203    HE   ARG  35           HE       ARG  35   0.528   1.718   7.758
  204   1HH1  ARG  35          1HH1      ARG  35  -0.780   4.786   8.827
  205   2HH1  ARG  35          2HH1      ARG  35  -0.235   4.640  10.474
  206   1HH2  ARG  35          1HH2      ARG  35   1.095   1.353   9.925
  207   2HH2  ARG  35          2HH2      ARG  35   0.887   2.600  11.126
  208    H    CYS  36           H        CYS  36  -0.292  -1.652   5.188
  209    HA   CYS  36           HA       CYS  36  -2.955  -2.134   4.004
  210   2HB   CYS  36          2HB       CYS  36  -1.664  -3.451   2.589
  211    H    TYR  37           H        TYR  37  -3.984  -3.983   5.230
  212    HA   TYR  37           HA       TYR  37  -4.235  -2.971   7.853
  213   2HB   TYR  37          2HB       TYR  37  -5.948  -4.025   6.204
  214    HD1  TYR  37           HD1      TYR  37  -6.312  -6.368   8.917
  215    HD2  TYR  37           HD2      TYR  37  -4.759  -6.001   4.910
  216    HE1  TYR  37           HE1      TYR  37  -6.392  -8.820   8.659
  217    HE2  TYR  37           HE2      TYR  37  -4.964  -8.455   4.618
  218    HH   TYR  37           HH       TYR  37  -6.070 -10.609   7.232
  Start of MODEL   24
    1   1H    PHE   1          1H        PHE   1  -1.435  -0.951   8.571
    2    HA   PHE   1           HA       PHE   1  -0.014  -1.666  11.081
    3   2HB   PHE   1          2HB       PHE   1  -1.407  -3.517   9.102
    4    HD1  PHE   1           HD1      PHE   1   0.315  -5.257   8.872
    5    HD2  PHE   1           HD2      PHE   1  -0.757  -3.757  12.774
    6    HE1  PHE   1           HE1      PHE   1   1.651  -7.052   9.935
    7    HE2  PHE   1           HE2      PHE   1   0.586  -5.553  13.829
    8    HZ   PHE   1           HZ       PHE   1   1.792  -7.204  12.411
    9    H    GLY   2           H        GLY   2  -0.184  -2.436   7.683
   10   1HA   GLY   2          1HA       GLY   2   2.676  -2.934   7.235
   11   2HA   GLY   2          2HA       GLY   2   1.431  -2.689   6.021
   12    H    LEU   3           H        LEU   3   4.240  -1.241   6.765
   13    HA   LEU   3           HA       LEU   3   3.174   1.044   5.461
   14   2HB   LEU   3          2HB       LEU   3   3.069   1.871   7.828
   15    HG   LEU   3           HG       LEU   3   6.074   1.255   7.744
   16   1HD1  LEU   3          1HD1      LEU   3   6.270   2.769   9.728
   17   2HD1  LEU   3          2HD1      LEU   3   5.770   3.659   8.284
   18   3HD1  LEU   3          3HD1      LEU   3   4.575   3.271   9.542
   19   1HD2  LEU   3          1HD2      LEU   3   4.704  -0.455   8.919
   20   2HD2  LEU   3          2HD2      LEU   3   5.587   0.489  10.116
   21   3HD2  LEU   3          3HD2      LEU   3   3.859   0.793   9.861
   22    H    ILE   4           H        ILE   4   4.270   1.613   3.779
   23    HA   ILE   4           HA       ILE   4   6.949   0.464   3.415
   24    HB   ILE   4           HB       ILE   4   6.005  -0.788   1.678
   25   2HG1  ILE   4          2HG1      ILE   4   4.348   1.457   1.034
   26   1HG2  ILE   4          1HG2      ILE   4   4.000  -1.948   2.435
   27   2HG2  ILE   4          2HG2      ILE   4   5.053  -1.646   3.818
   28   3HG2  ILE   4          3HG2      ILE   4   3.590  -0.651   3.574
   29   1HD1  ILE   4          1HD1      ILE   4   4.442  -1.333  -0.117
   30   2HD1  ILE   4          2HD1      ILE   4   3.901   0.165  -0.927
   31   3HD1  ILE   4          3HD1      ILE   4   5.618  -0.039  -0.466
   32    H    ASP   5           H        ASP   5   7.923   1.449   1.415
   33    HA   ASP   5           HA       ASP   5   6.993   4.257   1.080
   34   2HB   ASP   5          2HB       ASP   5   9.927   3.723   0.910
   35    H    VAL   6           H        VAL   6   6.336   2.046  -0.537
   36    HA   VAL   6           HA       VAL   6   7.707   2.634  -3.113
   37    HB   VAL   6           HB       VAL   6   5.462   0.674  -2.601
   38   1HG1  VAL   6          1HG1      VAL   6   6.081  -0.176  -4.848
   39   2HG1  VAL   6          2HG1      VAL   6   5.432   1.465  -4.914
   40   3HG1  VAL   6          3HG1      VAL   6   7.183   1.199  -5.056
   41   1HG2  VAL   6          1HG2      VAL   6   7.248  -1.026  -2.886
   42   2HG2  VAL   6          2HG2      VAL   6   8.458   0.254  -3.083
   43   3HG2  VAL   6          3HG2      VAL   6   7.661   0.020  -1.522
   44    H    LYS   7           H        LYS   7   6.876   3.881  -4.611
   45    HA   LYS   7           HA       LYS   7   5.277   6.007  -3.719
   46   2HB   LYS   7          2HB       LYS   7   5.657   6.761  -6.178
   47   2HG   LYS   7          2HG       LYS   7   6.885   7.831  -4.478
   48   2HD   LYS   7          2HD       LYS   7   8.566   5.315  -4.120
   49   2HE   LYS   7          2HE       LYS   7   8.699   8.054  -2.767
   50   1HZ   LYS   7          1HZ       LYS   7   9.025   6.486  -1.068
   51   2HZ   LYS   7          2HZ       LYS   7   9.810   5.443  -1.973
   52   3HZ   LYS   7          3HZ       LYS   7  10.528   6.873  -1.514
   53    H    CYS   8           H        CYS   8   3.259   5.946  -3.381
   54    HA   CYS   8           HA       CYS   8   1.179   4.531  -4.823
   55   2HB   CYS   8          2HB       CYS   8   1.336   6.143  -2.567
   56    H    PHE   9           H        PHE   9   0.559   4.963  -6.785
   57    HA   PHE   9           HA       PHE   9   0.339   7.719  -7.882
   58   2HB   PHE   9          2HB       PHE   9  -1.208   5.805  -9.340
   59    HD1  PHE   9           HD1      PHE   9  -1.342   6.947 -11.379
   60    HD2  PHE   9           HD2      PHE   9   2.459   6.689  -9.360
   61    HE1  PHE   9           HE1      PHE   9  -0.262   8.136 -13.266
   62    HE2  PHE   9           HE2      PHE   9   3.538   7.893 -11.251
   63    HZ   PHE   9           HZ       PHE   9   2.179   8.615 -13.205
   64    H    ALA  10           H        ALA  10  -1.237   5.406  -5.801
   65    HA   ALA  10           HA       ALA  10  -3.427   6.978  -5.122
   66   1HB   ALA  10          1HB       ALA  10  -5.267   5.618  -6.136
   67   2HB   ALA  10          2HB       ALA  10  -4.328   6.422  -7.400
   68   3HB   ALA  10          3HB       ALA  10  -4.066   4.702  -7.059
   69    H    SER  11           H        SER  11  -5.023   5.322  -3.965
   70    HA   SER  11           HA       SER  11  -3.555   3.576  -2.112
   71   2HB   SER  11          2HB       SER  11  -5.937   3.121  -1.360
   72    HG   SER  11           HG       SER  11  -5.098   5.840  -1.656
   73    H    SER  12           H        SER  12  -5.384   2.997  -5.140
   74    HA   SER  12           HA       SER  12  -6.192   0.426  -4.577
   75   2HB   SER  12          2HB       SER  12  -7.154   1.253  -6.503
   76    HG   SER  12           HG       SER  12  -4.690   2.454  -7.339
   77    H    GLU  13           H        GLU  13  -3.312   1.464  -6.365
   78    HA   GLU  13           HA       GLU  13  -1.513  -0.366  -6.768
   79   2HB   GLU  13          2HB       GLU  13  -0.343   1.362  -5.080
   80   2HG   GLU  13          2HG       GLU  13  -0.200   1.330  -7.748
   81    H    CYS  14           H        CYS  14  -2.190   0.808  -3.394
   82    HA   CYS  14           HA       CYS  14  -0.037  -0.517  -2.159
   83   2HB   CYS  14          2HB       CYS  14  -1.129   0.191  -0.172
   84    H    TRP  15           H        TRP  15  -3.176  -1.322  -3.194
   85    HA   TRP  15           HA       TRP  15  -3.709  -3.507  -1.254
   86   2HB   TRP  15          2HB       TRP  15  -5.587  -4.075  -2.659
   87    HD1  TRP  15           HD1      TRP  15  -4.745  -1.301  -0.745
   88    HE1  TRP  15           HE1      TRP  15  -6.670   0.331  -0.334
   89    HE3  TRP  15           HE3      TRP  15  -7.801  -2.809  -4.505
   90    HZ2  TRP  15           HZ2      TRP  15  -9.208   0.992  -1.617
   91    HZ3  TRP  15           HZ3      TRP  15  -9.956  -1.646  -4.938
   92    HH2  TRP  15           HH2      TRP  15 -10.666   0.249  -3.499
   93    H    THR  16           H        THR  16  -3.144  -3.375  -4.820
   94    HA   THR  16           HA       THR  16  -2.429  -6.094  -5.169
   95    HB   THR  16           HB       THR  16  -1.180  -4.805  -7.200
   96    HG1  THR  16           HG1      THR  16  -2.286  -2.838  -7.551
   97   1HG2  THR  16          1HG2      THR  16  -3.361  -4.831  -8.391
   98   2HG2  THR  16          2HG2      THR  16  -3.142  -6.303  -7.430
   99   3HG2  THR  16          3HG2      THR  16  -4.209  -5.004  -6.842
  100    H    ALA  17           H        ALA  17  -0.522  -3.255  -4.024
  101    HA   ALA  17           HA       ALA  17   1.994  -4.594  -4.203
  102   1HB   ALA  17          1HB       ALA  17   2.813  -2.927  -2.618
  103   2HB   ALA  17          2HB       ALA  17   1.752  -2.131  -3.792
  104   3HB   ALA  17          3HB       ALA  17   1.172  -2.481  -2.152
  105    H    CYS  18           H        CYS  18  -0.230  -4.275  -1.366
  106    HA   CYS  18           HA       CYS  18   1.321  -5.993   0.260
  107   2HB   CYS  18          2HB       CYS  18  -1.568  -6.211   0.787
  108    H    LYS  19           H        LYS  19  -1.139  -6.661  -2.191
  109    HA   LYS  19           HA       LYS  19  -1.528  -9.374  -1.552
  110   2HB   LYS  19          2HB       LYS  19  -2.260  -9.426  -3.988
  111   2HG   LYS  19          2HG       LYS  19  -3.528  -7.210  -2.646
  112   2HD   LYS  19          2HD       LYS  19  -5.564  -8.601  -2.941
  113   2HE   LYS  19          2HE       LYS  19  -3.959  -8.461  -5.544
  114   1HZ   LYS  19          1HZ       LYS  19  -5.945  -9.799  -5.735
  115   2HZ   LYS  19          2HZ       LYS  19  -6.871  -8.590  -5.115
  116   3HZ   LYS  19          3HZ       LYS  19  -6.121  -8.393  -6.561
  117    H    LYS  20           H        LYS  20   0.477  -7.813  -4.018
  118    HA   LYS  20           HA       LYS  20   1.792 -10.146  -4.979
  119   2HB   LYS  20          2HB       LYS  20   3.602  -8.525  -5.721
  120   2HG   LYS  20          2HG       LYS  20   0.688  -8.023  -6.456
  121   2HD   LYS  20          2HD       LYS  20   2.133  -6.163  -7.236
  122   2HE   LYS  20          2HE       LYS  20   3.625  -8.431  -8.666
  123   1HZ   LYS  20          1HZ       LYS  20   4.874  -6.692  -9.707
  124   2HZ   LYS  20          2HZ       LYS  20   3.296  -6.577 -10.153
  125   3HZ   LYS  20          3HZ       LYS  20   3.921  -5.524  -9.048
  126    H    VAL  21           H        VAL  21   2.724  -8.005  -2.117
  127    HA   VAL  21           HA       VAL  21   5.164  -9.313  -1.644
  128    HB   VAL  21           HB       VAL  21   3.099  -7.605  -0.199
  129   1HG1  VAL  21          1HG1      VAL  21   5.746  -8.530   0.777
  130   2HG1  VAL  21          2HG1      VAL  21   4.856  -7.097   1.413
  131   3HG1  VAL  21          3HG1      VAL  21   4.099  -8.696   1.464
  132   1HG2  VAL  21          1HG2      VAL  21   4.496  -6.581  -2.142
  133   2HG2  VAL  21          2HG2      VAL  21   4.726  -5.791  -0.570
  134   3HG2  VAL  21          3HG2      VAL  21   5.930  -6.955  -1.174
  135    H    THR  22           H        THR  22   1.907  -9.418   0.041
  136    HA   THR  22           HA       THR  22   2.813 -11.861   1.297
  137    HB   THR  22           HB       THR  22   1.592  -9.285   2.191
  138    HG1  THR  22           HG1      THR  22   3.463 -11.136   3.249
  139   1HG2  THR  22          1HG2      THR  22   0.875 -10.285   4.310
  140   2HG2  THR  22          2HG2      THR  22  -0.107 -10.723   2.902
  141   3HG2  THR  22          3HG2      THR  22   1.041 -11.908   3.580
  142    H    GLY  23           H        GLY  23  -0.021 -10.160  -0.062
  143   1HA   GLY  23          1HA       GLY  23  -1.714 -11.638  -1.216
  144   2HA   GLY  23          2HA       GLY  23  -1.722 -12.627   0.239
  145    H    SER  24           H        SER  24  -1.344  -9.847   1.673
  146    HA   SER  24           HA       SER  24  -4.150  -9.938   2.564
  147   2HB   SER  24          2HB       SER  24  -1.668  -8.568   3.682
  148    HG   SER  24           HG       SER  24  -3.552  -7.490   4.256
  149    H    GLY  25           H        GLY  25  -4.626  -9.012   0.359
  150   1HA   GLY  25          1HA       GLY  25  -3.627  -6.694  -0.644
  151   2HA   GLY  25          2HA       GLY  25  -5.160  -7.420  -1.093
  152    H    GLN  26           H        GLN  26  -4.831  -5.789   2.078
  153    HA   GLN  26           HA       GLN  26  -6.878  -3.851   1.163
  154   2HB   GLN  26          2HB       GLN  26  -7.894  -4.152   3.292
  155   2HG   GLN  26          2HG       GLN  26  -7.163  -6.919   2.267
  156   1HE2  GLN  26          1HE2      GLN  26  -8.427  -8.563   3.154
  157   2HE2  GLN  26          2HE2      GLN  26  -9.829  -8.245   4.158
  158    H    GLY  27           H        GLY  27  -6.217  -1.720   1.481
  159   1HA   GLY  27          1HA       GLY  27  -4.711  -0.787   3.725
  160   2HA   GLY  27          2HA       GLY  27  -3.668  -1.055   2.292
  161    H    LYS  28           H        LYS  28  -3.449   1.382   2.613
  162    HA   LYS  28           HA       LYS  28  -4.729   2.466   0.293
  163   2HB   LYS  28          2HB       LYS  28  -5.301   4.656   1.394
  164   2HG   LYS  28          2HG       LYS  28  -7.131   2.660   2.708
  165   2HD   LYS  28          2HD       LYS  28  -8.855   4.152   1.905
  166   2HE   LYS  28          2HE       LYS  28  -7.589   4.905   4.008
  167   1HZ   LYS  28          1HZ       LYS  28  -5.650   5.896   2.959
  168   2HZ   LYS  28          2HZ       LYS  28  -6.584   6.935   2.100
  169   3HZ   LYS  28          3HZ       LYS  28  -6.507   7.057   3.736
  170    H    CYS  29           H        CYS  29  -3.748   4.607  -0.235
  171    HA   CYS  29           HA       CYS  29  -0.864   4.315   0.360
  172   2HB   CYS  29          2HB       CYS  29  -1.812   4.906  -2.098
  173    H    GLN  30           H        GLN  30   0.309   6.371   0.856
  174    HA   GLN  30           HA       GLN  30  -1.242   8.582   1.979
  175   2HB   GLN  30          2HB       GLN  30   1.236   7.440   3.314
  176   2HG   GLN  30          2HG       GLN  30   0.901   9.810   3.797
  177   1HE2  GLN  30          1HE2      GLN  30  -1.742   8.396   5.806
  178   2HE2  GLN  30          2HE2      GLN  30  -2.921   9.604   5.328
  179    H    ASN  31           H        ASN  31  -0.415  10.362   0.913
  180    HA   ASN  31           HA       ASN  31   1.010  11.811   0.014
  181   2HB   ASN  31          2HB       ASN  31   3.231  10.252   1.443
  182   1HD2  ASN  31          1HD2      ASN  31   1.995  13.598   1.701
  183   2HD2  ASN  31          2HD2      ASN  31   3.453  14.328   1.054
  184    H    ASN  32           H        ASN  32   3.387   9.251  -0.205
  185    HA   ASN  32           HA       ASN  32   2.595   8.164  -2.670
  186   2HB   ASN  32          2HB       ASN  32   4.687   8.509  -4.011
  187   1HD2  ASN  32          1HD2      ASN  32   2.437   9.158  -4.839
  188   2HD2  ASN  32          2HD2      ASN  32   2.059  10.855  -4.575
  189    H    GLN  33           H        GLN  33   2.612   7.114  -0.379
  190    HA   GLN  33           HA       GLN  33   4.661   5.038  -0.306
  191   2HB   GLN  33          2HB       GLN  33   4.585   5.402   2.263
  192   2HG   GLN  33          2HG       GLN  33   6.438   6.165   0.537
  193   1HE2  GLN  33          1HE2      GLN  33   8.143   7.818   0.795
  194   2HE2  GLN  33          2HE2      GLN  33   7.628   9.504   0.512
  195    H    CYS  34           H        CYS  34   3.526   3.345   1.528
  196    HA   CYS  34           HA       CYS  34   0.635   3.604   1.406
  197   2HB   CYS  34          2HB       CYS  34   1.263   1.046   0.285
  198    H    ARG  35           H        ARG  35  -0.552   1.977   2.448
  199    HA   ARG  35           HA       ARG  35   0.988   0.567   4.528
  200   2HB   ARG  35          2HB       ARG  35  -0.621   1.700   6.224
  201   2HG   ARG  35          2HG       ARG  35   1.331   3.312   4.620
  202   2HD   ARG  35          2HD       ARG  35   0.996   3.929   7.495
  203    HE   ARG  35           HE       ARG  35   1.812   5.259   4.978
  204   1HH1  ARG  35          1HH1      ARG  35   1.233   5.807   8.411
  205   2HH1  ARG  35          2HH1      ARG  35   2.324   7.152   8.549
  206   1HH2  ARG  35          1HH2      ARG  35   3.325   6.993   5.129
  207   2HH2  ARG  35          2HH2      ARG  35   3.515   7.861   6.614
  208    H    CYS  36           H        CYS  36   0.117  -1.363   5.035
  209    HA   CYS  36           HA       CYS  36  -2.575  -1.977   3.980
  210   2HB   CYS  36          2HB       CYS  36  -1.982  -4.005   3.672
  211    H    TYR  37           H        TYR  37  -3.905  -3.428   5.251
  212    HA   TYR  37           HA       TYR  37  -4.282  -2.183   7.835
  213   2HB   TYR  37          2HB       TYR  37  -6.005  -2.973   5.929
  214    HD1  TYR  37           HD1      TYR  37  -7.788  -4.387   8.543
  215    HD2  TYR  37           HD2      TYR  37  -4.917  -5.556   5.540
  216    HE1  TYR  37           HE1      TYR  37  -8.637  -6.711   8.625
  217    HE2  TYR  37           HE2      TYR  37  -5.809  -7.864   5.594
  218    HH   TYR  37           HH       TYR  37  -7.304  -9.313   6.572
  Start of MODEL   25
    1   1H    PHE   1          1H        PHE   1  -1.575  -0.064  11.897
    2    HA   PHE   1           HA       PHE   1  -0.975  -2.011  10.567
    3   2HB   PHE   1          2HB       PHE   1  -2.057  -1.376   8.427
    4    HD1  PHE   1           HD1      PHE   1  -3.457  -2.712  10.106
    5    HD2  PHE   1           HD2      PHE   1  -3.310   1.587  10.089
    6    HE1  PHE   1           HE1      PHE   1  -5.525  -2.633  11.503
    7    HE2  PHE   1           HE2      PHE   1  -5.355   1.669  11.494
    8    HZ   PHE   1           HZ       PHE   1  -6.462  -0.441  12.204
    9    H    GLY   2           H        GLY   2  -0.201  -2.331   8.036
   10   1HA   GLY   2          1HA       GLY   2   2.482  -2.408   7.807
   11   2HA   GLY   2          2HA       GLY   2   1.414  -2.215   6.449
   12    H    LEU   3           H        LEU   3   4.188  -0.927   7.106
   13    HA   LEU   3           HA       LEU   3   3.365   1.513   5.803
   14   2HB   LEU   3          2HB       LEU   3   3.506   2.303   8.139
   15    HG   LEU   3           HG       LEU   3   6.409   1.271   7.955
   16   1HD1  LEU   3          1HD1      LEU   3   6.376   3.667   8.599
   17   2HD1  LEU   3          2HD1      LEU   3   5.187   3.350   9.882
   18   3HD1  LEU   3          3HD1      LEU   3   6.819   2.661   9.983
   19   1HD2  LEU   3          1HD2      LEU   3   4.175   0.944  10.077
   20   2HD2  LEU   3          2HD2      LEU   3   4.922  -0.338   9.102
   21   3HD2  LEU   3          3HD2      LEU   3   5.871   0.491  10.327
   22    H    ILE   4           H        ILE   4   4.567   1.775   4.048
   23    HA   ILE   4           HA       ILE   4   6.950   0.010   3.765
   24    HB   ILE   4           HB       ILE   4   5.938  -0.776   1.791
   25   2HG1  ILE   4          2HG1      ILE   4   4.737   1.801   1.449
   26   1HG2  ILE   4          1HG2      ILE   4   4.836  -1.651   3.855
   27   2HG2  ILE   4          2HG2      ILE   4   3.536  -0.445   3.652
   28   3HG2  ILE   4          3HG2      ILE   4   3.803  -1.693   2.419
   29   1HD1  ILE   4          1HD1      ILE   4   4.242   0.923  -0.720
   30   2HD1  ILE   4          2HD1      ILE   4   5.801   0.216  -0.223
   31   3HD1  ILE   4          3HD1      ILE   4   4.315  -0.757  -0.128
   32    H    ASP   5           H        ASP   5   7.876   0.704   1.366
   33    HA   ASP   5           HA       ASP   5   7.307   3.493   0.796
   34   2HB   ASP   5          2HB       ASP   5  10.193   2.700   1.246
   35    H    VAL   6           H        VAL   6   6.150   2.553  -0.730
   36    HA   VAL   6           HA       VAL   6   7.721   2.443  -3.199
   37    HB   VAL   6           HB       VAL   6   5.340   0.588  -2.765
   38   1HG1  VAL   6          1HG1      VAL   6   5.303   1.558  -5.023
   39   2HG1  VAL   6          2HG1      VAL   6   7.025   1.166  -5.240
   40   3HG1  VAL   6          3HG1      VAL   6   5.820  -0.132  -5.098
   41   1HG2  VAL   6          1HG2      VAL   6   6.996  -1.201  -3.285
   42   2HG2  VAL   6          2HG2      VAL   6   8.290   0.012  -3.324
   43   3HG2  VAL   6          3HG2      VAL   6   7.443  -0.341  -1.808
   44    H    LYS   7           H        LYS   7   6.943   3.879  -4.591
   45    HA   LYS   7           HA       LYS   7   5.409   5.966  -3.493
   46   2HB   LYS   7          2HB       LYS   7   5.708   6.894  -5.903
   47   2HG   LYS   7          2HG       LYS   7   7.081   7.738  -4.143
   48   2HD   LYS   7          2HD       LYS   7   8.746   5.194  -4.375
   49   2HE   LYS   7          2HE       LYS   7   9.277   7.836  -2.948
   50   1HZ   LYS   7          1HZ       LYS   7  10.686   5.264  -2.523
   51   2HZ   LYS   7          2HZ       LYS   7  11.108   6.699  -1.881
   52   3HZ   LYS   7          3HZ       LYS   7   9.711   5.988  -1.484
   53    H    CYS   8           H        CYS   8   3.302   5.967  -3.239
   54    HA   CYS   8           HA       CYS   8   1.356   4.381  -4.653
   55   2HB   CYS   8          2HB       CYS   8   1.299   6.213  -2.541
   56    H    PHE   9           H        PHE   9   0.729   4.590  -6.629
   57    HA   PHE   9           HA       PHE   9   0.455   7.240  -7.950
   58   2HB   PHE   9          2HB       PHE   9  -0.677   4.821  -9.255
   59    HD1  PHE   9           HD1      PHE   9  -1.618   6.476 -10.848
   60    HD2  PHE   9           HD2      PHE   9   2.601   6.425  -9.949
   61    HE1  PHE   9           HE1      PHE   9  -1.181   7.948 -12.795
   62    HE2  PHE   9           HE2      PHE   9   3.028   7.920 -11.880
   63    HZ   PHE   9           HZ       PHE   9   1.140   8.674 -13.311
   64    H    ALA  10           H        ALA  10  -1.154   5.108  -5.773
   65    HA   ALA  10           HA       ALA  10  -3.494   6.548  -5.498
   66   1HB   ALA  10          1HB       ALA  10  -4.210   5.773  -7.755
   67   2HB   ALA  10          2HB       ALA  10  -3.852   4.094  -7.295
   68   3HB   ALA  10          3HB       ALA  10  -5.167   4.985  -6.505
   69    H    SER  11           H        SER  11  -4.807   5.567  -3.845
   70    HA   SER  11           HA       SER  11  -3.597   3.720  -2.018
   71   2HB   SER  11          2HB       SER  11  -5.999   3.475  -1.214
   72    HG   SER  11           HG       SER  11  -4.944   6.108  -1.564
   73    H    SER  12           H        SER  12  -5.728   3.137  -4.854
   74    HA   SER  12           HA       SER  12  -6.305   0.466  -4.194
   75   2HB   SER  12          2HB       SER  12  -7.714   1.273  -5.818
   76    HG   SER  12           HG       SER  12  -6.918   2.728  -7.470
   77    H    GLU  13           H        GLU  13  -3.336   1.957  -5.365
   78    HA   GLU  13           HA       GLU  13  -2.250  -0.406  -6.605
   79   2HB   GLU  13          2HB       GLU  13  -0.651   1.510  -5.048
   80   2HG   GLU  13          2HG       GLU  13   0.898   1.391  -7.032
   81    H    CYS  14           H        CYS  14  -1.989   1.102  -3.327
   82    HA   CYS  14           HA       CYS  14  -0.173  -0.477  -2.054
   83   2HB   CYS  14          2HB       CYS  14  -1.200   0.312  -0.051
   84    H    TRP  15           H        TRP  15  -3.363  -1.113  -3.030
   85    HA   TRP  15           HA       TRP  15  -3.946  -3.418  -1.278
   86   2HB   TRP  15          2HB       TRP  15  -5.698  -3.956  -2.863
   87    HD1  TRP  15           HD1      TRP  15  -4.941  -1.139  -0.788
   88    HE1  TRP  15           HE1      TRP  15  -6.934   0.290  -0.270
   89    HE3  TRP  15           HE3      TRP  15  -8.031  -2.898  -4.426
   90    HZ2  TRP  15           HZ2      TRP  15  -9.646   0.690  -1.372
   91    HZ3  TRP  15           HZ3      TRP  15 -10.328  -1.976  -4.683
   92    HH2  TRP  15           HH2      TRP  15 -11.141  -0.191  -3.161
   93    H    THR  16           H        THR  16  -3.094  -3.156  -4.820
   94    HA   THR  16           HA       THR  16  -2.343  -5.879  -5.100
   95    HB   THR  16           HB       THR  16  -0.991  -4.632  -7.079
   96    HG1  THR  16           HG1      THR  16  -1.367  -2.525  -6.614
   97   1HG2  THR  16          1HG2      THR  16  -3.083  -4.764  -8.403
   98   2HG2  THR  16          2HG2      THR  16  -2.885  -6.197  -7.377
   99   3HG2  THR  16          3HG2      THR  16  -4.026  -4.912  -6.908
  100    H    ALA  17           H        ALA  17  -0.486  -3.006  -3.857
  101    HA   ALA  17           HA       ALA  17   2.013  -4.372  -3.919
  102   1HB   ALA  17          1HB       ALA  17   2.767  -2.764  -2.277
  103   2HB   ALA  17          2HB       ALA  17   1.727  -1.926  -3.443
  104   3HB   ALA  17          3HB       ALA  17   1.104  -2.350  -1.831
  105    H    CYS  18           H        CYS  18  -0.383  -4.123  -1.266
  106    HA   CYS  18           HA       CYS  18   0.901  -5.825   0.575
  107   2HB   CYS  18          2HB       CYS  18  -2.085  -5.901   0.317
  108    H    LYS  19           H        LYS  19  -1.238  -6.528  -2.215
  109    HA   LYS  19           HA       LYS  19  -1.545  -9.285  -1.690
  110   2HB   LYS  19          2HB       LYS  19  -2.086  -9.293  -4.173
  111   2HG   LYS  19          2HG       LYS  19  -3.467  -7.121  -2.828
  112   2HD   LYS  19          2HD       LYS  19  -4.225  -8.067  -5.126
  113   2HE   LYS  19          2HE       LYS  19  -5.089 -10.331  -3.228
  114   1HZ   LYS  19          1HZ       LYS  19  -6.781  -9.833  -4.856
  115   2HZ   LYS  19          2HZ       LYS  19  -5.699  -9.995  -6.089
  116   3HZ   LYS  19          3HZ       LYS  19  -6.084 -11.292  -5.154
  117    H    LYS  20           H        LYS  20   0.547  -7.515  -3.891
  118    HA   LYS  20           HA       LYS  20   2.010  -9.648  -5.053
  119   2HB   LYS  20          2HB       LYS  20   3.797  -7.874  -5.468
  120   2HG   LYS  20          2HG       LYS  20   0.902  -7.587  -6.270
  121   2HD   LYS  20          2HD       LYS  20   1.981  -5.279  -6.136
  122   2HE   LYS  20          2HE       LYS  20   4.240  -6.044  -7.103
  123   1HZ   LYS  20          1HZ       LYS  20   4.338  -5.900  -9.492
  124   2HZ   LYS  20          2HZ       LYS  20   3.348  -7.145  -9.079
  125   3HZ   LYS  20          3HZ       LYS  20   2.712  -5.720  -9.609
  126    H    VAL  21           H        VAL  21   2.669  -7.854  -1.894
  127    HA   VAL  21           HA       VAL  21   5.054  -9.244  -1.355
  128    HB   VAL  21           HB       VAL  21   2.935  -7.585   0.073
  129   1HG1  VAL  21          1HG1      VAL  21   4.654  -7.156   1.756
  130   2HG1  VAL  21          2HG1      VAL  21   3.929  -8.772   1.714
  131   3HG1  VAL  21          3HG1      VAL  21   5.579  -8.537   1.057
  132   1HG2  VAL  21          1HG2      VAL  21   4.394  -6.468  -1.771
  133   2HG2  VAL  21          2HG2      VAL  21   4.598  -5.768  -0.152
  134   3HG2  VAL  21          3HG2      VAL  21   5.798  -6.921  -0.792
  135    H    THR  22           H        THR  22   1.697  -9.338   0.028
  136    HA   THR  22           HA       THR  22   2.375 -11.966   1.105
  137    HB   THR  22           HB       THR  22   2.958 -10.397   2.782
  138    HG1  THR  22           HG1      THR  22   0.605 -11.809   3.362
  139   1HG2  THR  22          1HG2      THR  22   0.080  -9.386   2.666
  140   2HG2  THR  22          2HG2      THR  22   1.279  -8.954   3.895
  141   3HG2  THR  22          3HG2      THR  22   1.529  -8.466   2.214
  142    H    GLY  23           H        GLY  23   0.295 -10.918  -0.999
  143   1HA   GLY  23          1HA       GLY  23  -1.719 -11.737  -1.740
  144   2HA   GLY  23          2HA       GLY  23  -1.778 -12.806  -0.341
  145    H    SER  24           H        SER  24  -1.558 -10.337   1.451
  146    HA   SER  24           HA       SER  24  -4.353 -10.424   2.051
  147   2HB   SER  24          2HB       SER  24  -3.678  -9.544   4.159
  148    HG   SER  24           HG       SER  24  -2.519 -11.574   3.287
  149    H    GLY  25           H        GLY  25  -4.734  -9.220  -0.106
  150   1HA   GLY  25          1HA       GLY  25  -3.744  -6.842  -0.794
  151   2HA   GLY  25          2HA       GLY  25  -5.265  -7.474  -1.381
  152    H    GLN  26           H        GLN  26  -4.780  -5.929   1.880
  153    HA   GLN  26           HA       GLN  26  -6.917  -4.011   1.163
  154   2HB   GLN  26          2HB       GLN  26  -7.777  -4.373   3.332
  155   2HG   GLN  26          2HG       GLN  26  -6.991  -7.102   2.242
  156   1HE2  GLN  26          1HE2      GLN  26  -9.575  -8.134   2.046
  157   2HE2  GLN  26          2HE2      GLN  26 -10.233  -8.260   3.668
  158    H    GLY  27           H        GLY  27  -6.146  -1.869   1.324
  159   1HA   GLY  27          1HA       GLY  27  -4.623  -0.945   3.567
  160   2HA   GLY  27          2HA       GLY  27  -3.586  -1.197   2.130
  161    H    LYS  28           H        LYS  28  -3.310   1.222   2.408
  162    HA   LYS  28           HA       LYS  28  -4.716   2.473   0.290
  163   2HB   LYS  28          2HB       LYS  28  -5.312   4.568   1.654
  164   2HG   LYS  28          2HG       LYS  28  -7.212   2.417   2.529
  165   2HD   LYS  28          2HD       LYS  28  -7.488   5.126   1.140
  166   2HE   LYS  28          2HE       LYS  28  -9.623   3.302   2.357
  167   1HZ   LYS  28          1HZ       LYS  28  -9.895   5.825   0.850
  168   2HZ   LYS  28          2HZ       LYS  28 -11.128   4.878   1.383
  169   3HZ   LYS  28          3HZ       LYS  28 -10.161   5.648   2.465
  170    H    CYS  29           H        CYS  29  -3.792   4.679  -0.136
  171    HA   CYS  29           HA       CYS  29  -0.893   4.414   0.405
  172   2HB   CYS  29          2HB       CYS  29  -1.755   4.797  -2.125
  173    H    GLN  30           H        GLN  30   0.273   6.475   0.815
  174    HA   GLN  30           HA       GLN  30  -1.332   8.725   1.796
  175   2HB   GLN  30          2HB       GLN  30   1.182   7.682   3.166
  176   2HG   GLN  30          2HG       GLN  30   0.955  10.042   3.555
  177   1HE2  GLN  30          1HE2      GLN  30  -1.885   8.990   5.492
  178   2HE2  GLN  30          2HE2      GLN  30  -2.969  10.189   4.808
  179    H    ASN  31           H        ASN  31  -0.502  10.570   0.865
  180    HA   ASN  31           HA       ASN  31   0.870  11.964  -0.243
  181   2HB   ASN  31          2HB       ASN  31   3.193  10.442   1.080
  182   1HD2  ASN  31          1HD2      ASN  31   4.252  11.594  -0.932
  183   2HD2  ASN  31          2HD2      ASN  31   4.644  13.276  -0.650
  184    H    ASN  32           H        ASN  32   3.057   9.253  -0.439
  185    HA   ASN  32           HA       ASN  32   2.497   8.183  -2.879
  186   2HB   ASN  32          2HB       ASN  32   4.617   8.606  -4.183
  187   1HD2  ASN  32          1HD2      ASN  32   2.291   9.068  -5.038
  188   2HD2  ASN  32          2HD2      ASN  32   1.812  10.752  -4.863
  189    H    GLN  33           H        GLN  33   2.498   7.124  -0.656
  190    HA   GLN  33           HA       GLN  33   4.685   5.254  -0.378
  191   2HB   GLN  33          2HB       GLN  33   3.750   7.026   1.959
  192   2HG   GLN  33          2HG       GLN  33   6.222   5.269   1.679
  193   1HE2  GLN  33          1HE2      GLN  33   6.822   4.575   4.051
  194   2HE2  GLN  33          2HE2      GLN  33   7.020   5.931   5.170
  195    H    CYS  34           H        CYS  34   3.559   3.602   1.551
  196    HA   CYS  34           HA       CYS  34   0.646   3.779   1.431
  197   2HB   CYS  34          2HB       CYS  34   1.397   1.182   0.490
  198    H    ARG  35           H        ARG  35  -0.467   2.101   2.466
  199    HA   ARG  35           HA       ARG  35   1.048   0.671   4.551
  200   2HB   ARG  35          2HB       ARG  35  -0.721   1.397   6.210
  201   2HG   ARG  35          2HG       ARG  35   0.598   3.726   4.885
  202   2HD   ARG  35          2HD       ARG  35  -0.752   4.127   7.005
  203    HE   ARG  35           HE       ARG  35   0.943   2.040   7.719
  204   1HH1  ARG  35          1HH1      ARG  35  -0.065   5.103   9.106
  205   2HH1  ARG  35          2HH1      ARG  35   0.203   4.682  10.772
  206   1HH2  ARG  35          1HH2      ARG  35   1.257   1.355   9.997
  207   2HH2  ARG  35          2HH2      ARG  35   0.938   2.464  11.282
  208    H    CYS  36           H        CYS  36  -0.061  -1.098   5.363
  209    HA   CYS  36           HA       CYS  36  -2.619  -1.838   4.164
  210   2HB   CYS  36          2HB       CYS  36  -0.796  -2.356   2.384
  211    H    TYR  37           H        TYR  37  -3.551  -3.848   4.950
  212    HA   TYR  37           HA       TYR  37  -2.856  -4.034   7.792
  213   2HB   TYR  37          2HB       TYR  37  -5.246  -4.076   6.419
  214    HD1  TYR  37           HD1      TYR  37  -4.605  -6.374   4.888
  215    HD2  TYR  37           HD2      TYR  37  -6.188  -6.218   8.901
  216    HE1  TYR  37           HE1      TYR  37  -5.834  -8.482   4.494
  217    HE2  TYR  37           HE2      TYR  37  -7.336  -8.377   8.526
  218    HH   TYR  37           HH       TYR  37  -7.254 -10.073   5.388