*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   14-MAR-05   1Z3K              
*TITLE     STRUCTURAL INSIGHT INTO THE BINDING DIVERSITY BETWEEN THE             
*TITLE    2 TYR-PHOSPHORYLATED HUMAN EPHRINBS AND NCK2 SH2 DOMAIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOPLASMIC PROTEIN NCK2;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH2 DOMAIN;                                                
*COMPND   5 SYNONYM: NCK ADAPTOR PROTEIN 2, SH2/SH3 ADAPTOR PROTEIN              
*COMPND   6 NCK-BETA, NCK-2;                                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    NCK2, SH2 DOMAIN, EPH RECEPTOR-EPHRIN MEDIATED SIGNALING              
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    X.Y.RAN, J.X.SONG                                                     
*REVDAT   1   29-MAR-05 1Z3K    0                                                

assign (resid 3 and name HA) (resid 3 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.164
assign (resid 3 and name HA) (resid 3 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.163
assign (resid 3 and name HB2) (resid 3 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.372
assign (resid 3 and name HB2) (resid 3 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.373
assign (resid 3 and name HB1) (resid 3 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.376
assign (resid 4 and name HB1) (resid 4 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.313
assign (resid 8 and name HG2#) (resid 4 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.648
assign (resid 8 and name HG2#) (resid 7 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.647
assign (resid 7 and name HB1) (resid 8 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.285
assign (resid 8 and name HG2#) (resid 7 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.646
assign (resid 8 and name HA) (resid 8 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.68
assign (resid 8 and name HB) (resid 8 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.348
assign (resid 8 and name HA) (resid 8 and name HG1#) 3.800 2.0 0.0 !   secondcnoeassignment.69
assign (resid 8 and name HG1#) (resid 8 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.596
assign (resid 8 and name HB) (resid 8 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.350
assign (resid 8 and name HG1#) (resid 8 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.600
assign (resid 8 and name HA) (resid 8 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.70
assign (resid 8 and name HG2#) (resid 8 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.644
assign (resid 8 and name HB) (resid 8 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.351
assign (resid 8 and name HG1#) (resid 9 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.597
assign (resid 9 and name HA) (resid 9 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.46
assign (resid 9 and name HA) (resid 9 and name HG2#) 3.700 1.9 0.0 !   secondcnoeassignment.47
assign (resid 10 and name HA) (resid 10 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.49
assign (resid 10 and name HB1) (resid 10 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.387
assign (resid 10 and name HA) (resid 10 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.57
assign (resid 10 and name HA) (resid 10 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.58
assign (resid 10 and name HD2) (resid 10 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.234
assign (resid 10 and name HB1) (resid 10 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.388
assign (resid 10 and name HD2) (resid 10 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.235
assign (resid 10 and name HA) (resid 10 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.61
assign (resid 10 and name HG1) (resid 10 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.459
assign (resid 10 and name HB1) (resid 10 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.389
assign (resid 10 and name HD2) (resid 10 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.237
assign (resid 10 and name HD2) (resid 10 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.238
assign (resid 10 and name HG1) (resid 10 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.458
assign (resid 10 and name HA) (resid 10 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.60
assign (resid 10 and name HG2) (resid 10 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.452
assign (resid 10 and name HD2) (resid 10 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.236
assign (resid 10 and name HD2) (resid 10 and name HG2) 3.800 2.0 0.0 !   secondcnoeassignment.239
assign (resid 10 and name HG2) (resid 10 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.453
assign (resid 10 and name HG2) (resid 10 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.454
assign (resid 8 and name HG1#) (resid 12 and name HA) 8.400 6.6 0.0 !   secondcnoeassignment.598
assign (resid 12 and name HB2) (resid 8 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.415
assign (resid 8 and name HG1#) (resid 12 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.599
assign (resid 12 and name HG1) (resid 8 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.328
assign (resid 8 and name HB) (resid 12 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.349
assign (resid 8 and name HG1#) (resid 12 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.601
assign (resid 12 and name HB2) (resid 9 and name HA) 4.200 2.4 0.0 !   secondcnoeassignment.414
assign (resid 12 and name HB2) (resid 12 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.413
assign (resid 12 and name HB1) (resid 12 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.418
assign (resid 12 and name HG1) (resid 12 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.325
assign (resid 12 and name HG1) (resid 12 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.326
assign (resid 12 and name HB2) (resid 12 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.411
assign (resid 12 and name HB2) (resid 12 and name HG2) 3.800 2.0 0.0 !   secondcnoeassignment.412
assign (resid 12 and name HG1) (resid 12 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.327
assign (resid 10 and name HA) (resid 13 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.59
assign (resid 13 and name HB#) (resid 10 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.665
assign (resid 14 and name HA) (resid 13 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.75
assign (resid 13 and name HB#) (resid 14 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.664
assign (resid 14 and name HA) (resid 14 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.72
assign (resid 14 and name HB2) (resid 14 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.416
assign (resid 14 and name HA) (resid 14 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.73
assign (resid 14 and name HG1) (resid 14 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.318
assign (resid 14 and name HB2) (resid 14 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.422
assign (resid 14 and name HA) (resid 14 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.71
assign (resid 14 and name HG2) (resid 14 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.321
assign (resid 14 and name HG2) (resid 14 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.316
assign (resid 14 and name HG2) (resid 14 and name HG1) 3.200 1.4 0.0 !   secondcnoeassignment.315
assign (resid 14 and name HG1) (resid 14 and name HG2) 3.200 1.4 0.0 !   secondcnoeassignment.317
assign (resid 15 and name HA) (resid 15 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.29
assign (resid 13 and name HA) (resid 16 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.137
assign (resid 16 and name HB#) (resid 13 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.684
assign (resid 13 and name HB#) (resid 16 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.666
assign (resid 16 and name HA) (resid 16 and name HB#) 3.200 1.4 0.0 !   secondcnoeassignment.129
assign (resid 16 and name HB#) (resid 16 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.683
assign (resid 17 and name HD1#) (resid 13 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.517
assign (resid 13 and name HB#) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.668
assign (resid 17 and name HD2#) (resid 13 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.560
assign (resid 14 and name HA) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.74
assign (resid 17 and name HA) (resid 17 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.102
assign (resid 17 and name HB1) (resid 17 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.273
assign (resid 17 and name HB2) (resid 17 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.269
assign (resid 17 and name HB1) (resid 17 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.274
assign (resid 17 and name HA) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.100
assign (resid 17 and name HB1) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.276
assign (resid 17 and name HD1#) (resid 17 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.513
assign (resid 17 and name HB2) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.270
assign (resid 17 and name HD1#) (resid 17 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.515
assign (resid 17 and name HA) (resid 17 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.103
assign (resid 17 and name HD2#) (resid 17 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.556
assign (resid 17 and name HD2#) (resid 17 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.561
assign (resid 17 and name HB2) (resid 17 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.272
assign (resid 17 and name HD2#) (resid 17 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.558
assign (resid 17 and name HD1#) (resid 17 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.518
assign (resid 17 and name HD2#) (resid 17 and name HD1#) 3.800 2.0 0.0 !   secondcnoeassignment.562
assign (resid 17 and name HA) (resid 17 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.101
assign (resid 17 and name HB1) (resid 17 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.275
assign (resid 17 and name HB2) (resid 17 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.271
assign (resid 17 and name HG) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.473
assign (resid 17 and name HD1#) (resid 17 and name HG) 3.800 2.0 0.0 !   secondcnoeassignment.516
assign (resid 17 and name HD2#) (resid 17 and name HG) 3.800 2.0 0.0 !   secondcnoeassignment.559
assign (resid 14 and name HB1) (resid 18 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.417
assign (resid 18 and name HB1) (resid 18 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.311
assign (resid 18 and name HB2) (resid 18 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.314
assign (resid 18 and name HB1) (resid 18 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.312
assign (resid 22 and name HG2#) (resid 17 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.660
assign (resid 22 and name HA) (resid 22 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.80
assign (resid 22 and name HB) (resid 22 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.336
assign (resid 22 and name HA) (resid 22 and name HG1#) 3.800 2.0 0.0 !   secondcnoeassignment.81
assign (resid 22 and name HG1#) (resid 22 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.630
assign (resid 22 and name HG1#) (resid 22 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.631
assign (resid 22 and name HG2#) (resid 22 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.659
assign (resid 22 and name HG2#) (resid 22 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.658
assign (resid 24 and name HA1) (resid 24 and name HA2) 3.200 1.4 0.0 !   secondcnoeassignment.194
assign (resid 17 and name HD2#) (resid 25 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.554
assign (resid 17 and name HD2#) (resid 25 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.557
assign (resid 25 and name HB2) (resid 22 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.268
assign (resid 25 and name HA) (resid 25 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.155
assign (resid 25 and name HA) (resid 25 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.154
assign (resid 25 and name HB2) (resid 25 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.267
assign (resid 26 and name HA) (resid 17 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.132
assign (resid 17 and name HD2#) (resid 26 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.555
assign (resid 26 and name HB1) (resid 26 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.202
assign (resid 26 and name HA) (resid 26 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.133
assign (resid 8 and name HG1#) (resid 27 and name HD1#) 6.500 4.7 0.0 !   secondcnoeassignment.595
assign (resid 13 and name HB#) (resid 27 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.667
assign (resid 13 and name HA) (resid 27 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.138
assign (resid 27 and name HG) (resid 13 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.465
assign (resid 13 and name HB#) (resid 27 and name HG) 4.300 2.5 0.0 !   secondcnoeassignment.669
assign (resid 16 and name HB#) (resid 27 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.685
assign (resid 17 and name HD2#) (resid 27 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.552
assign (resid 17 and name HD1#) (resid 27 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.519
assign (resid 27 and name HG) (resid 17 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.471
assign (resid 17 and name HD2#) (resid 27 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.563
assign (resid 27 and name HA) (resid 27 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.156
assign (resid 27 and name HB1) (resid 27 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.191
assign (resid 27 and name HA) (resid 27 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.157
assign (resid 27 and name HB1) (resid 27 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.192
assign (resid 27 and name HD1#) (resid 27 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.499
assign (resid 27 and name HD1#) (resid 27 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.501
assign (resid 27 and name HD1#) (resid 27 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.502
assign (resid 27 and name HD2#) (resid 27 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.487
assign (resid 27 and name HD1#) (resid 27 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.505
assign (resid 27 and name HG) (resid 27 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.464
assign (resid 27 and name HG) (resid 27 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.468
assign (resid 27 and name HB2) (resid 27 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.193
assign (resid 27 and name HG) (resid 27 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.469
assign (resid 27 and name HG) (resid 27 and name HD1#) 3.800 2.0 0.0 !   secondcnoeassignment.472
assign (resid 27 and name HD1#) (resid 27 and name HG) 3.800 2.0 0.0 !   secondcnoeassignment.506
assign (resid 27 and name HG) (resid 27 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.467
assign (resid 28 and name HA) (resid 28 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.63
assign (resid 28 and name HA) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.52
assign (resid 28 and name HD1#) (resid 28 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.714
assign (resid 28 and name HB) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.304
assign (resid 28 and name HD1#) (resid 28 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.716
assign (resid 28 and name HA) (resid 28 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.50
assign (resid 28 and name HG11) (resid 28 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.391
assign (resid 28 and name HG11) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.399
assign (resid 28 and name HD1#) (resid 28 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.719
assign (resid 28 and name HA) (resid 28 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.62
assign (resid 28 and name HB) (resid 28 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.303
assign (resid 28 and name HG12) (resid 28 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.392
assign (resid 28 and name HG12) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.393
assign (resid 28 and name HD1#) (resid 28 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.717
assign (resid 28 and name HG11) (resid 28 and name HG12) 3.800 2.0 0.0 !   secondcnoeassignment.396
assign (resid 28 and name HA) (resid 28 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.51
assign (resid 28 and name HG2#) (resid 28 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.676
assign (resid 28 and name HB) (resid 28 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.305
assign (resid 28 and name HG2#) (resid 28 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.678
assign (resid 28 and name HD1#) (resid 28 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.720
assign (resid 28 and name HG11) (resid 28 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.397
assign (resid 28 and name HG2#) (resid 28 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.680
assign (resid 28 and name HG12) (resid 28 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.394
assign (resid 28 and name HG2#) (resid 28 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.679
assign (resid 29 and name HA) (resid 8 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.179
assign (resid 8 and name HG2#) (resid 29 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.645
assign (resid 29 and name HB1) (resid 8 and name HB) 4.400 2.6 0.0 !   secondcnoeassignment.342
assign (resid 29 and name HB1) (resid 8 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.333
assign (resid 9 and name HA) (resid 29 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.48
assign (resid 13 and name HB#) (resid 29 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.661
assign (resid 29 and name HD2) (resid 13 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.206
assign (resid 13 and name HB#) (resid 29 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.663
assign (resid 27 and name HD1#) (resid 29 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.504
assign (resid 27 and name HD1#) (resid 29 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.500
assign (resid 28 and name HD1#) (resid 29 and name HG1) 7.300 5.5 0.0 !   secondcnoeassignment.718
assign (resid 29 and name HA) (resid 29 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.177
assign (resid 29 and name HB1) (resid 29 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.335
assign (resid 29 and name HA) (resid 29 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.178
assign (resid 29 and name HB2) (resid 29 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.341
assign (resid 29 and name HB1) (resid 29 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.334
assign (resid 29 and name HD2) (resid 29 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.205
assign (resid 30 and name HA) (resid 30 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.146
assign (resid 30 and name HA) (resid 30 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.140
assign (resid 31 and name HB1) (resid 31 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.35
assign (resid 31 and name HA) (resid 31 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.108
assign (resid 31 and name HA) (resid 31 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.107
assign (resid 33 and name HA) (resid 33 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.83
assign (resid 34 and name HB1) (resid 34 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.25
assign (resid 34 and name HB2) (resid 34 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.24
assign (resid 34 and name HA) (resid 35 and name HD2) 3.200 1.4 0.0 !   secondcnoeassignment.145
assign (resid 34 and name HA) (resid 35 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.144
assign (resid 35 and name HA) (resid 35 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.19
assign (resid 35 and name HB2) (resid 35 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.369
assign (resid 35 and name HB2) (resid 35 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.370
assign (resid 35 and name HG2) (resid 35 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.462
assign (resid 35 and name HD2) (resid 35 and name HG2) 3.200 1.4 0.0 !   secondcnoeassignment.181
assign (resid 35 and name HG2) (resid 35 and name HD2) 3.800 2.0 0.0 !   secondcnoeassignment.460
assign (resid 36 and name HB1) (resid 36 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.27
assign (resid 36 and name HA) (resid 36 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.82
assign (resid 36 and name HA) (resid 36 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.87
assign (resid 31 and name HB1) (resid 37 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.33
assign (resid 31 and name HB2) (resid 37 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.31
assign (resid 31 and name HB1) (resid 37 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.34
assign (resid 31 and name HB2) (resid 37 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.32
assign (resid 34 and name HB1) (resid 37 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.26
assign (resid 34 and name HB2) (resid 37 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.22
assign (resid 34 and name HB2) (resid 37 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.23
assign (resid 37 and name HB1) (resid 37 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.232
assign (resid 37 and name HB2) (resid 37 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.240
assign (resid 37 and name HB1) (resid 37 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.233
assign (resid 37 and name HB2) (resid 37 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.241
assign (resid 38 and name HA) (resid 30 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.113
assign (resid 30 and name HA) (resid 38 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.139
assign (resid 38 and name HA) (resid 38 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.114
assign (resid 38 and name HA) (resid 38 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.112
assign (resid 38 and name HB1) (resid 38 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.203
assign (resid 38 and name HB2) (resid 38 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.204
assign (resid 28 and name HG12) (resid 39 and name HB1) 7.000 5.2 0.0 !   secondcnoeassignment.400
assign (resid 39 and name HB1) (resid 29 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.6
assign (resid 39 and name HB1) (resid 29 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.8
assign (resid 39 and name HB2) (resid 29 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.13
assign (resid 39 and name HB2) (resid 29 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.9
assign (resid 39 and name HB1) (resid 39 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.7
assign (resid 39 and name HA) (resid 39 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.99
assign (resid 39 and name HB2) (resid 39 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.10
assign (resid 39 and name HA) (resid 39 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.98
assign (resid 27 and name HG) (resid 40 and name HG2#) 6.500 4.7 0.0 !   secondcnoeassignment.470
assign (resid 28 and name HA) (resid 40 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.53
assign (resid 40 and name HG1#) (resid 28 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.652
assign (resid 40 and name HG1#) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.656
assign (resid 28 and name HD1#) (resid 40 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.721
assign (resid 28 and name HG11) (resid 40 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.398
assign (resid 40 and name HG1#) (resid 28 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.654
assign (resid 28 and name HG12) (resid 40 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.395
assign (resid 40 and name HG1#) (resid 28 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.653
assign (resid 28 and name HG2#) (resid 40 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.681
assign (resid 40 and name HG2#) (resid 28 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.621
assign (resid 40 and name HG2#) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.634
assign (resid 40 and name HG2#) (resid 28 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.622
assign (resid 40 and name HA) (resid 40 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.84
assign (resid 40 and name HB) (resid 40 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.358
assign (resid 40 and name HG1#) (resid 40 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.649
assign (resid 40 and name HG1#) (resid 40 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.650
assign (resid 40 and name HA) (resid 40 and name HG2#) 3.800 2.0 0.0 !   secondcnoeassignment.85
assign (resid 40 and name HG2#) (resid 40 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.632
assign (resid 13 and name HB#) (resid 41 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.662
assign (resid 41 and name HB2) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.17
assign (resid 17 and name HD1#) (resid 41 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.514
assign (resid 41 and name HB2) (resid 27 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.18
assign (resid 40 and name HG2#) (resid 41 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.633
assign (resid 41 and name HA) (resid 41 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.93
assign (resid 41 and name HA) (resid 41 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.94
assign (resid 17 and name HD2#) (resid 42 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.553
assign (resid 42 and name HD1#) (resid 17 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.545
assign (resid 42 and name HD1#) (resid 24 and name HA2) 5.000 3.2 0.0 !   secondcnoeassignment.540
assign (resid 42 and name HD1#) (resid 25 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.542
assign (resid 26 and name HA) (resid 42 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.130
assign (resid 42 and name HA) (resid 26 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.171
assign (resid 42 and name HA) (resid 26 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.169
assign (resid 26 and name HA) (resid 42 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.131
assign (resid 42 and name HD1#) (resid 26 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.537
assign (resid 42 and name HD1#) (resid 26 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.541
assign (resid 42 and name HA) (resid 42 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.167
assign (resid 42 and name HB1) (resid 42 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.186
assign (resid 42 and name HA) (resid 42 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.166
assign (resid 42 and name HA) (resid 42 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.176
assign (resid 42 and name HB1) (resid 42 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.187
assign (resid 42 and name HA) (resid 42 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.168
assign (resid 42 and name HD1#) (resid 42 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.538
assign (resid 42 and name HA) (resid 42 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.170
assign (resid 42 and name HD2#) (resid 42 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.455
assign (resid 42 and name HB1) (resid 42 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.188
assign (resid 42 and name HB2) (resid 42 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.185
assign (resid 42 and name HD2#) (resid 42 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.456
assign (resid 42 and name HD1#) (resid 42 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.544
assign (resid 42 and name HA) (resid 42 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.172
assign (resid 42 and name HG) (resid 42 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.447
assign (resid 42 and name HD1#) (resid 42 and name HG) 3.200 1.4 0.0 !   secondcnoeassignment.543
assign (resid 42 and name HG) (resid 42 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.450
assign (resid 43 and name HE2) (resid 43 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.213
assign (resid 43 and name HB2) (resid 43 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.365
assign (resid 43 and name HE2) (resid 43 and name HG2) 3.200 1.4 0.0 !   secondcnoeassignment.227
assign (resid 43 and name HG2) (resid 43 and name HE2) 3.800 2.0 0.0 !   secondcnoeassignment.461
assign (resid 45 and name HA) (resid 44 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.88
assign (resid 45 and name HB1) (resid 44 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.39
assign (resid 45 and name HB1) (resid 45 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.38
assign (resid 45 and name HB2) (resid 45 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.37
assign (resid 46 and name HA1) (resid 46 and name HA2) 3.200 1.4 0.0 !   secondcnoeassignment.190
assign (resid 47 and name HB1) (resid 47 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.337
assign (resid 47 and name HB2) (resid 47 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.340
assign (resid 47 and name HA) (resid 47 and name HD2) 3.500 1.7 0.0 !   secondcnoeassignment.135
assign (resid 47 and name HD2) (resid 47 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.419
assign (resid 47 and name HE2) (resid 47 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.255
assign (resid 47 and name HA) (resid 47 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.136
assign (resid 47 and name HB1) (resid 47 and name HG1) 3.200 1.4 0.0 !   secondcnoeassignment.338
assign (resid 47 and name HG1) (resid 47 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.551
assign (resid 47 and name HG1) (resid 47 and name HD2) 3.200 1.4 0.0 !   secondcnoeassignment.550
assign (resid 17 and name HD1#) (resid 48 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.512
assign (resid 48 and name HA) (resid 43 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.173
assign (resid 48 and name HA) (resid 48 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.174
assign (resid 48 and name HA) (resid 48 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.175
assign (resid 48 and name HB2) (resid 48 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.302
assign (resid 48 and name HB1) (resid 48 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.301
assign (resid 49 and name HD1) (resid 44 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.444
assign (resid 49 and name HE1) (resid 44 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.279
assign (resid 49 and name HA) (resid 49 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.159
assign (resid 49 and name HB1) (resid 49 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.324
assign (resid 49 and name HD1) (resid 49 and name HA) 4.100 2.3 0.0 !   secondcnoeassignment.441
assign (resid 49 and name HE1) (resid 49 and name HD1) 3.200 1.4 0.0 !   secondcnoeassignment.280
assign (resid 49 and name HD1) (resid 49 and name HE1) 3.800 2.0 0.0 !   secondcnoeassignment.443
assign (resid 49 and name HE2) (resid 49 and name HD1) 3.200 1.4 0.0 !   secondcnoeassignment.278
assign (resid 49 and name HD1) (resid 49 and name HE2) 3.200 1.4 0.0 !   secondcnoeassignment.442
assign (resid 49 and name HE2) (resid 49 and name HE1) 3.200 1.4 0.0 !   secondcnoeassignment.277
assign (resid 49 and name HG2) (resid 49 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.548
assign (resid 49 and name HG2) (resid 49 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.549
assign (resid 49 and name HG2) (resid 49 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.547
assign (resid 39 and name HA) (resid 52 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.97
assign (resid 52 and name HA) (resid 39 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.115
assign (resid 52 and name HA) (resid 52 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.116
assign (resid 52 and name HD1) (resid 52 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.430
assign (resid 52 and name HB1) (resid 52 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.360
assign (resid 52 and name HD1) (resid 52 and name HE2) 3.200 1.4 0.0 !   secondcnoeassignment.431
assign (resid 52 and name HE2) (resid 52 and name HD2) 3.200 1.4 0.0 !   secondcnoeassignment.266
assign (resid 52 and name HD2) (resid 52 and name HE2) 3.200 1.4 0.0 !   secondcnoeassignment.429
assign (resid 52 and name HA) (resid 52 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.117
assign (resid 52 and name HB1) (resid 52 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.359
assign (resid 52 and name HD2) (resid 52 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.428
assign (resid 52 and name HG1) (resid 52 and name HE2) 3.800 2.0 0.0 !   secondcnoeassignment.532
assign (resid 52 and name HG2) (resid 52 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.530
assign (resid 52 and name HG2) (resid 52 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.531
assign (resid 38 and name HB1) (resid 53 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.207
assign (resid 53 and name HG2#) (resid 38 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.616
assign (resid 53 and name HA) (resid 53 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.45
assign (resid 53 and name HG1#) (resid 53 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.580
assign (resid 53 and name HG1#) (resid 53 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.581
assign (resid 53 and name HA) (resid 53 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.40
assign (resid 53 and name HG2#) (resid 53 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.615
assign (resid 53 and name HB) (resid 53 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.343
assign (resid 53 and name HG2#) (resid 53 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.617
assign (resid 37 and name HA) (resid 54 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.160
assign (resid 54 and name HB2) (resid 52 and name HG2) 3.800 2.0 0.0 !   secondcnoeassignment.361
assign (resid 54 and name HB1) (resid 54 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.363
assign (resid 54 and name HA) (resid 54 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.141
assign (resid 54 and name HB2) (resid 54 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.362
assign (resid 54 and name HA) (resid 54 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.142
assign (resid 54 and name HG1) (resid 54 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.330
assign (resid 54 and name HB1) (resid 54 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.364
assign (resid 54 and name HG2) (resid 54 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.329
assign (resid 36 and name HB1) (resid 55 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.28
assign (resid 55 and name HD1#) (resid 36 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.484
assign (resid 36 and name HB2) (resid 55 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.21
assign (resid 36 and name HB2) (resid 55 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.30
assign (resid 54 and name HA) (resid 55 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.143
assign (resid 55 and name HB1) (resid 55 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.245
assign (resid 55 and name HB2) (resid 55 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.244
assign (resid 55 and name HB1) (resid 55 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.247
assign (resid 55 and name HD1#) (resid 55 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.483
assign (resid 55 and name HB1) (resid 55 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.246
assign (resid 55 and name HB2) (resid 55 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.242
assign (resid 55 and name HD1#) (resid 55 and name HB2) 3.700 1.9 0.0 !   secondcnoeassignment.485
assign (resid 55 and name HA) (resid 55 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.152
assign (resid 55 and name HB2) (resid 55 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.243
assign (resid 55 and name HD1#) (resid 55 and name HD2#) 3.200 1.4 0.0 !   secondcnoeassignment.486
assign (resid 55 and name HG) (resid 55 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.448
assign (resid 56 and name HG1#) (resid 55 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.642
assign (resid 56 and name HB) (resid 56 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.344
assign (resid 56 and name HG1#) (resid 56 and name HA) 3.500 1.7 0.0 !   secondcnoeassignment.639
assign (resid 56 and name HG1#) (resid 56 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.641
assign (resid 57 and name HA) (resid 56 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.126
assign (resid 57 and name HB1) (resid 56 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.297
assign (resid 56 and name HG1#) (resid 57 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.640
assign (resid 57 and name HB2) (resid 56 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.300
assign (resid 56 and name HG1#) (resid 57 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.643
assign (resid 57 and name HA) (resid 57 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.127
assign (resid 57 and name HB1) (resid 57 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.298
assign (resid 57 and name HA) (resid 57 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.128
assign (resid 57 and name HB2) (resid 57 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.299
assign (resid 57 and name HB1) (resid 57 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.296
assign (resid 58 and name HB1) (resid 55 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.309
assign (resid 55 and name HD2#) (resid 58 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.629
assign (resid 58 and name HB1) (resid 58 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.310
assign (resid 59 and name HG1#) (resid 55 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.507
assign (resid 56 and name HG1#) (resid 59 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.638
assign (resid 58 and name HB1) (resid 59 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.308
assign (resid 55 and name HA) (resid 60 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.151
assign (resid 60 and name HB1) (resid 60 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.284
assign (resid 61 and name HB2) (resid 56 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.386
assign (resid 61 and name HB2) (resid 56 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.385
assign (resid 61 and name HA) (resid 61 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.95
assign (resid 61 and name HB1) (resid 61 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.383
assign (resid 61 and name HB2) (resid 61 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.384
assign (resid 53 and name HG2#) (resid 62 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.614
assign (resid 62 and name HB) (resid 53 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.288
assign (resid 53 and name HG2#) (resid 62 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.613
assign (resid 62 and name HD1#) (resid 53 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.713
assign (resid 53 and name HG2#) (resid 62 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.619
assign (resid 53 and name HG1#) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.582
assign (resid 62 and name HG2#) (resid 53 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.689
assign (resid 53 and name HG2#) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.618
assign (resid 62 and name HA) (resid 62 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.76
assign (resid 62 and name HB) (resid 62 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.286
assign (resid 62 and name HD1#) (resid 62 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.708
assign (resid 62 and name HB) (resid 62 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.290
assign (resid 62 and name HD1#) (resid 62 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.709
assign (resid 62 and name HA) (resid 62 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.79
assign (resid 62 and name HG11) (resid 62 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.436
assign (resid 62 and name HB) (resid 62 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.287
assign (resid 62 and name HG11) (resid 62 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.437
assign (resid 62 and name HG11) (resid 62 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.439
assign (resid 62 and name HD1#) (resid 62 and name HG11) 3.800 2.0 0.0 !   secondcnoeassignment.712
assign (resid 62 and name HA) (resid 62 and name HG12) 3.800 2.0 0.0 !   secondcnoeassignment.77
assign (resid 62 and name HG12) (resid 62 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.432
assign (resid 62 and name HB) (resid 62 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.291
assign (resid 62 and name HG12) (resid 62 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.435
assign (resid 62 and name HD1#) (resid 62 and name HG12) 3.800 2.0 0.0 !   secondcnoeassignment.710
assign (resid 62 and name HG12) (resid 62 and name HG11) 3.200 1.4 0.0 !   secondcnoeassignment.434
assign (resid 62 and name HG11) (resid 62 and name HG12) 3.800 2.0 0.0 !   secondcnoeassignment.438
assign (resid 62 and name HA) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.78
assign (resid 62 and name HG2#) (resid 62 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.686
assign (resid 62 and name HB) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.289
assign (resid 62 and name HG2#) (resid 62 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.687
assign (resid 62 and name HG2#) (resid 62 and name HD1#) 3.800 2.0 0.0 !   secondcnoeassignment.691
assign (resid 62 and name HD1#) (resid 62 and name HG2#) 3.800 2.0 0.0 !   secondcnoeassignment.711
assign (resid 62 and name HG11) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.440
assign (resid 62 and name HG12) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.433
assign (resid 62 and name HG2#) (resid 62 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.688
assign (resid 63 and name HA2) (resid 63 and name HA1) 3.200 1.4 0.0 !   secondcnoeassignment.189
assign (resid 56 and name HG1#) (resid 66 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.637
assign (resid 66 and name HD2) (resid 56 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.216
assign (resid 66 and name HD2) (resid 56 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.219
assign (resid 61 and name HA) (resid 66 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.96
assign (resid 66 and name HB2) (resid 66 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.356
assign (resid 66 and name HD2) (resid 66 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.214
assign (resid 66 and name HD2) (resid 66 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.218
assign (resid 66 and name HB2) (resid 66 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.357
assign (resid 66 and name HG1) (resid 66 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.451
assign (resid 66 and name HG2) (resid 66 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.449
assign (resid 66 and name HD2) (resid 66 and name HG2) 3.800 2.0 0.0 !   secondcnoeassignment.215
assign (resid 67 and name HB2) (resid 67 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.226
assign (resid 67 and name HB2) (resid 67 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.225
assign (resid 28 and name HG2#) (resid 71 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.677
assign (resid 71 and name HA) (resid 71 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.110
assign (resid 71 and name HB1) (resid 71 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.281
assign (resid 71 and name HA) (resid 71 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.109
assign (resid 71 and name HB2) (resid 71 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.283
assign (resid 71 and name HB1) (resid 71 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.282
assign (resid 53 and name HG1#) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.583
assign (resid 53 and name HG2#) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.620
assign (resid 73 and name HD2#) (resid 53 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.406
assign (resid 73 and name HD2#) (resid 62 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.404
assign (resid 62 and name HG2#) (resid 73 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.690
assign (resid 73 and name HA) (resid 73 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.89
assign (resid 73 and name HA) (resid 73 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.91
assign (resid 73 and name HB2) (resid 73 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.259
assign (resid 73 and name HA) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.90
assign (resid 73 and name HD1#) (resid 73 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.565
assign (resid 73 and name HB1) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.265
assign (resid 73 and name HD1#) (resid 73 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.571
assign (resid 73 and name HB2) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.260
assign (resid 73 and name HD1#) (resid 73 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.573
assign (resid 73 and name HD2#) (resid 73 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.402
assign (resid 73 and name HD2#) (resid 73 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.403
assign (resid 73 and name HD2#) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.407
assign (resid 73 and name HD1#) (resid 73 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.568
assign (resid 73 and name HA) (resid 73 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.92
assign (resid 73 and name HD1#) (resid 73 and name HG) 3.800 2.0 0.0 !   secondcnoeassignment.566
assign (resid 73 and name HD2#) (resid 73 and name HG) 3.800 2.0 0.0 !   secondcnoeassignment.405
assign (resid 28 and name HD1#) (resid 74 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.715
assign (resid 28 and name HD1#) (resid 74 and name HG1#)  6.000 4.2 0.0 !   secondcnoeassignment.3018
assign (resid 74 and name HG1#) (resid 28 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.589
assign (resid 74 and name HG1#) (resid 28 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.586
assign (resid 74 and name HG1#) (resid 40 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.588
assign (resid 40 and name HG1#) (resid 74 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.657
assign (resid 71 and name HA) (resid 74 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.111
assign (resid 74 and name HG1#) (resid 71 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.584
assign (resid 74 and name HG2#) (resid 71 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.624
assign (resid 73 and name HD1#) (resid 74 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.564
assign (resid 73 and name HD1#) (resid 74 and name HG1#) 6.400 4.6 0.0 !   secondcnoeassignment.570
assign (resid 74 and name HA) (resid 74 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.4
assign (resid 74 and name HB) (resid 74 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.371
assign (resid 74 and name HA) (resid 74 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.3
assign (resid 74 and name HG1#) (resid 74 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.587
assign (resid 74 and name HB) (resid 74 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.377
assign (resid 74 and name HG1#) (resid 74 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.585
assign (resid 74 and name HG2#) (resid 74 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.623
assign (resid 74 and name HB) (resid 74 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.378
assign (resid 74 and name HG2#) (resid 74 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.625
assign (resid 74 and name HG1#) (resid 74 and name HG2#) 3.800 2.0 0.0 !   secondcnoeassignment.590
assign (resid 74 and name HG2#) (resid 74 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.627
assign (resid 77 and name HA) (resid 77 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.64
assign (resid 77 and name HA) (resid 77 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.67
assign (resid 77 and name HB2) (resid 77 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.320
assign (resid 77 and name HB1) (resid 77 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.323
assign (resid 73 and name HD1#) (resid 78 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.572
assign (resid 78 and name HB2) (resid 78 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.352
assign (resid 78 and name HE1) (resid 78 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.256
assign (resid 78 and name HE1) (resid 78 and name HD2) 3.200 1.4 0.0 !   secondcnoeassignment.257
assign (resid 78 and name HE2) (resid 78 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.258
assign (resid 78 and name HD2) (resid 78 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.390
assign (resid 78 and name HE2) (resid 78 and name HE1) 3.200 1.4 0.0 !   secondcnoeassignment.248
assign (resid 78 and name HG1) (resid 78 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.508
assign (resid 78 and name HG1) (resid 78 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.509
assign (resid 78 and name HA) (resid 78 and name HG2) 3.800 2.0 0.0 !   secondcnoeassignment.104
assign (resid 78 and name HG2) (resid 78 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.511
assign (resid 78 and name HE2) (resid 78 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.249
assign (resid 78 and name HG2) (resid 78 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.510
assign (resid 78 and name HG1) (resid 78 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.520
assign (resid 79 and name HD2) (resid 67 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.410
assign (resid 79 and name HB1) (resid 79 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.339
assign (resid 79 and name HD2) (resid 79 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.421
assign (resid 79 and name HD2) (resid 79 and name HE2) 3.200 1.4 0.0 !   secondcnoeassignment.420
assign (resid 79 and name HA) (resid 79 and name HG1) 3.600 1.8 0.0 !   secondcnoeassignment.125
assign (resid 79 and name HG1) (resid 79 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.521
assign (resid 79 and name HG1) (resid 79 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.524
assign (resid 79 and name HB1) (resid 79 and name HG1) 3.800 2.0 0.0 !   secondcnoeassignment.345
assign (resid 79 and name HG1) (resid 79 and name HD2) 3.200 1.4 0.0 !   secondcnoeassignment.522
assign (resid 79 and name HG1) (resid 79 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.523
assign (resid 77 and name HA) (resid 80 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.65
assign (resid 81 and name HD2) (resid 80 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.183
assign (resid 81 and name HD2) (resid 80 and name HB#) 3.800 2.0 0.0 !   secondcnoeassignment.182
assign (resid 81 and name HB1) (resid 81 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.379
assign (resid 81 and name HA) (resid 81 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.36
assign (resid 81 and name HB2) (resid 81 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.380
assign (resid 81 and name HB2) (resid 81 and name HG2) 6.000 4.2 0.0 !   secondcnoeassignment.381
assign (resid 81 and name HD2) (resid 81 and name HG2) 3.800 2.0 0.0 !   secondcnoeassignment.184
assign (resid 82 and name HD1#) (resid 73 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.703
assign (resid 74 and name HG1#) (resid 82 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.592
assign (resid 82 and name HD1#) (resid 77 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.706
assign (resid 82 and name HD1#) (resid 77 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.701
assign (resid 82 and name HB) (resid 82 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.293
assign (resid 82 and name HD1#) (resid 82 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.705
assign (resid 82 and name HB) (resid 82 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.292
assign (resid 82 and name HD1#) (resid 82 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.707
assign (resid 82 and name HA) (resid 82 and name HG11) 3.800 2.0 0.0 !   secondcnoeassignment.44
assign (resid 82 and name HA) (resid 82 and name HG12) 3.800 2.0 0.0 !   secondcnoeassignment.42
assign (resid 82 and name HG12) (resid 82 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.423
assign (resid 82 and name HG12) (resid 82 and name HG11) 3.800 2.0 0.0 !   secondcnoeassignment.424
assign (resid 82 and name HG11) (resid 82 and name HG12) 6.000 4.2 0.0 !   secondcnoeassignment.427
assign (resid 82 and name HA) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.43
assign (resid 82 and name HG2#) (resid 82 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.694
assign (resid 82 and name HB) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.294
assign (resid 82 and name HG2#) (resid 82 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.699
assign (resid 82 and name HG2#) (resid 82 and name HD1#) 3.800 2.0 0.0 !   secondcnoeassignment.700
assign (resid 82 and name HD1#) (resid 82 and name HG2#) 3.800 2.0 0.0 !   secondcnoeassignment.704
assign (resid 82 and name HG11) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.426
assign (resid 82 and name HG12) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.425
assign (resid 82 and name HG2#) (resid 83 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.695
assign (resid 83 and name HA) (resid 83 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.106
assign (resid 83 and name HB1) (resid 83 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.221
assign (resid 83 and name HA) (resid 83 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.105
assign (resid 83 and name HB2) (resid 83 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.208
assign (resid 83 and name HB2) (resid 83 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.209
assign (resid 83 and name HB1) (resid 83 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.222
assign (resid 84 and name HB) (resid 84 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.0
assign (resid 84 and name HA) (resid 84 and name HB) 3.800 2.0 0.0 !   secondcnoeassignment.55
assign (resid 84 and name HA) (resid 84 and name HG2#) 3.800 2.0 0.0 !   secondcnoeassignment.56
assign (resid 84 and name HB) (resid 84 and name HG2#) 3.200 1.4 0.0 !   secondcnoeassignment.1
assign (resid 85 and name HB1) (resid 85 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.11
assign (resid 85 and name HA) (resid 85 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.118
assign (resid 85 and name HB2) (resid 85 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.5
assign (resid 88 and name HA1) (resid 84 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.201
assign (resid 88 and name HA2) (resid 84 and name HG2#) 6.700 4.9 0.0 !   secondcnoeassignment.199
assign (resid 88 and name HA2) (resid 88 and name HA1) 3.200 1.4 0.0 !   secondcnoeassignment.200
assign (resid 85 and name HB1) (resid 89 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.12
assign (resid 84 and name HA) (resid 90 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.54
assign (resid 90 and name HA) (resid 84 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.124
assign (resid 90 and name HE2) (resid 84 and name HG2#) 4.300 2.5 0.0 !   secondcnoeassignment.254
assign (resid 90 and name HD2) (resid 89 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.463
assign (resid 90 and name HB1) (resid 90 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.331
assign (resid 90 and name HB2) (resid 90 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.332
assign (resid 90 and name HE2) (resid 90 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.250
assign (resid 90 and name HE2) (resid 90 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.253
assign (resid 90 and name HE2) (resid 90 and name HD2) 3.200 1.4 0.0 !   secondcnoeassignment.251
assign (resid 90 and name HG1) (resid 90 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.488
assign (resid 90 and name HG2) (resid 90 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.503
assign (resid 90 and name HE2) (resid 90 and name HG2) 3.200 1.4 0.0 !   secondcnoeassignment.252
assign (resid 90 and name HG2) (resid 90 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.489
assign (resid 91 and name HD2#) (resid 42 and name HG) 4.600 2.8 0.0 !   secondcnoeassignment.576
assign (resid 49 and name HD1) (resid 91 and name HD1#) 3.200 1.4 0.0 !   secondcnoeassignment.445
assign (resid 91 and name HD1#) (resid 49 and name HE2) 6.000 4.2 0.0 !   secondcnoeassignment.493
assign (resid 81 and name HB2) (resid 91 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.382
assign (resid 81 and name HG2) (resid 91 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.446
assign (resid 91 and name HB1) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.228
assign (resid 82 and name HG2#) (resid 91 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.696
assign (resid 82 and name HG2#) (resid 91 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.697
assign (resid 91 and name HD1#) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.498
assign (resid 91 and name HD2#) (resid 82 and name HG2#) 7.000 5.2 0.0 !   secondcnoeassignment.577
assign (resid 83 and name HB1) (resid 91 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.220
assign (resid 91 and name HD1#) (resid 83 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.492
assign (resid 83 and name HB2) (resid 91 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.210
assign (resid 91 and name HD1#) (resid 83 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.490
assign (resid 91 and name HA) (resid 91 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.162
assign (resid 91 and name HB1) (resid 91 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.229
assign (resid 91 and name HB2) (resid 91 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.224
assign (resid 91 and name HB1) (resid 91 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.223
assign (resid 91 and name HD1#) (resid 91 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.491
assign (resid 91 and name HB1) (resid 91 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.230
assign (resid 91 and name HD1#) (resid 91 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.495
assign (resid 91 and name HD1#) (resid 91 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.496
assign (resid 91 and name HA) (resid 91 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.158
assign (resid 91 and name HD2#) (resid 91 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.574
assign (resid 91 and name HD2#) (resid 91 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.579
assign (resid 91 and name HB2) (resid 91 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.231
assign (resid 91 and name HD2#) (resid 91 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.575
assign (resid 91 and name HA) (resid 91 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.161
assign (resid 91 and name HD1#) (resid 91 and name HG) 3.200 1.4 0.0 !   secondcnoeassignment.494
assign (resid 91 and name HD2#) (resid 91 and name HG) 3.200 1.4 0.0 !   secondcnoeassignment.578
assign (resid 92 and name HA) (resid 82 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.121
assign (resid 92 and name HA) (resid 82 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.123
assign (resid 82 and name HG2#) (resid 92 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.693
assign (resid 92 and name HB2) (resid 82 and name HG11) 6.000 4.2 0.0 !   secondcnoeassignment.263
assign (resid 92 and name HA) (resid 92 and name HB1) 3.800 2.0 0.0 !   secondcnoeassignment.122
assign (resid 92 and name HB1) (resid 92 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.261
assign (resid 92 and name HA) (resid 92 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.119
assign (resid 92 and name HB2) (resid 92 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.264
assign (resid 92 and name HB1) (resid 92 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.262
assign (resid 93 and name HD2#) (resid 26 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.628
assign (resid 93 and name HD2#) (resid 26 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.608
assign (resid 28 and name HD1#) (resid 93 and name HD1#) 6.500 4.7 0.0 !   secondcnoeassignment.723
assign (resid 28 and name HG2#) (resid 93 and name HD1#) 6.400 4.6 0.0 !   secondcnoeassignment.675
assign (resid 28 and name HD1#) (resid 93 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.722
assign (resid 28 and name HG2#) (resid 93 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.682
assign (resid 40 and name HG1#) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.651
assign (resid 40 and name HG2#) (resid 93 and name HD1#) 6.500 4.7 0.0 !   secondcnoeassignment.636
assign (resid 40 and name HG1#) (resid 93 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.655
assign (resid 40 and name HG2#) (resid 93 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.635
assign (resid 93 and name HD2#) (resid 42 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.609
assign (resid 42 and name HD1#) (resid 93 and name HD2#) 5.700 3.9 0.0 !   secondcnoeassignment.546
assign (resid 42 and name HD2#) (resid 93 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.457
assign (resid 62 and name HG2#) (resid 93 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.692
assign (resid 73 and name HD1#) (resid 93 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.567
assign (resid 93 and name HD1#) (resid 73 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.529
assign (resid 73 and name HD1#) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.569
assign (resid 73 and name HD2#) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.409
assign (resid 93 and name HD1#) (resid 73 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.528
assign (resid 73 and name HD2#) (resid 93 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.408
assign (resid 93 and name HD2#) (resid 73 and name HD2#) 6.000 4.2 0.0 !   secondcnoeassignment.611
assign (resid 74 and name HA) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.2
assign (resid 93 and name HD1#) (resid 74 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.534
assign (resid 93 and name HD1#) (resid 74 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.535
assign (resid 93 and name HD1#) (resid 74 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.536
assign (resid 74 and name HG1#) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.591
assign (resid 74 and name HG2#) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.626
assign (resid 77 and name HA) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.66
assign (resid 77 and name HB1) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.322
assign (resid 93 and name HD1#) (resid 77 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.525
assign (resid 77 and name HB2) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.319
assign (resid 93 and name HD2#) (resid 77 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.606
assign (resid 82 and name HA) (resid 93 and name HD1#) 6.400 4.6 0.0 !   secondcnoeassignment.41
assign (resid 82 and name HB) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.295
assign (resid 93 and name HD2#) (resid 82 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.612
assign (resid 82 and name HD1#) (resid 93 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.702
assign (resid 82 and name HG2#) (resid 93 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.698
assign (resid 92 and name HA) (resid 93 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.120
assign (resid 93 and name HA) (resid 93 and name HB2) 3.800 2.0 0.0 !   secondcnoeassignment.148
assign (resid 93 and name HB2) (resid 93 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.307
assign (resid 93 and name HA) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.149
assign (resid 93 and name HD1#) (resid 93 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.533
assign (resid 93 and name HB2) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.306
assign (resid 93 and name HD1#) (resid 93 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.527
assign (resid 93 and name HA) (resid 93 and name HD2#) 3.800 2.0 0.0 !   secondcnoeassignment.147
assign (resid 93 and name HD2#) (resid 93 and name HA) 3.800 2.0 0.0 !   secondcnoeassignment.607
assign (resid 93 and name HA) (resid 93 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.150
assign (resid 93 and name HA) (resid 93 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.153
assign (resid 93 and name HG) (resid 93 and name HD1#) 6.000 4.2 0.0 !   secondcnoeassignment.482
assign (resid 93 and name HD1#) (resid 93 and name HG) 6.000 4.2 0.0 !   secondcnoeassignment.526
assign (resid 93 and name HD2#) (resid 93 and name HG) 3.800 2.0 0.0 !   secondcnoeassignment.610
assign (resid 24 and name HA1) (resid 94 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.195
assign (resid 24 and name HA1) (resid 94 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.198
assign (resid 94 and name HB) (resid 24 and name HA1) 6.000 4.2 0.0 !   secondcnoeassignment.367
assign (resid 24 and name HA1) (resid 94 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.196
assign (resid 24 and name HA2) (resid 94 and name HG1#) 6.000 4.2 0.0 !   secondcnoeassignment.197
assign (resid 94 and name HA) (resid 94 and name HB) 6.000 4.2 0.0 !   secondcnoeassignment.14
assign (resid 94 and name HB) (resid 94 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.366
assign (resid 94 and name HA) (resid 94 and name HG1#) 3.800 2.0 0.0 !   secondcnoeassignment.16
assign (resid 94 and name HG1#) (resid 94 and name HA) 3.700 1.9 0.0 !   secondcnoeassignment.593
assign (resid 94 and name HB) (resid 94 and name HG1#) 3.800 2.0 0.0 !   secondcnoeassignment.368
assign (resid 94 and name HG1#) (resid 94 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.594
assign (resid 94 and name HA) (resid 94 and name HG2#) 3.800 2.0 0.0 !   secondcnoeassignment.15
assign (resid 94 and name HG2#) (resid 94 and name HA) 3.700 1.9 0.0 !   secondcnoeassignment.603
assign (resid 94 and name HG2#) (resid 94 and name HB) 3.200 1.4 0.0 !   secondcnoeassignment.604
assign (resid 42 and name HD1#) (resid 95 and name HA) 7.200 5.4 0.0 !   secondcnoeassignment.539
assign (resid 95 and name HA) (resid 94 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.134
assign (resid 94 and name HG2#) (resid 95 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.602
assign (resid 95 and name HB2) (resid 94 and name HG2#) 6.000 4.2 0.0 !   secondcnoeassignment.354
assign (resid 94 and name HG2#) (resid 95 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.605
assign (resid 95 and name HB1) (resid 95 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.346
assign (resid 95 and name HB1) (resid 95 and name HB2) 3.200 1.4 0.0 !   secondcnoeassignment.347
assign (resid 95 and name HB2) (resid 95 and name HB1) 3.200 1.4 0.0 !   secondcnoeassignment.353
assign (resid 95 and name HD1) (resid 95 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.217
assign (resid 95 and name HB1) (resid 95 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.355
assign (resid 95 and name HD2) (resid 95 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.212
assign (resid 95 and name HD2) (resid 95 and name HD1) 3.200 1.4 0.0 !   secondcnoeassignment.211
assign (resid 95 and name HG1) (resid 95 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.476
assign (resid 95 and name HG1) (resid 95 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.475
assign (resid 95 and name HG1) (resid 95 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.474
assign (resid 95 and name HG2) (resid 95 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.480
assign (resid 95 and name HG2) (resid 95 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.479
assign (resid 95 and name HG2) (resid 95 and name HD1) 6.000 4.2 0.0 !   secondcnoeassignment.478
assign (resid 95 and name HG2) (resid 95 and name HD2) 6.000 4.2 0.0 !   secondcnoeassignment.481
assign (resid 95 and name HG1) (resid 95 and name HG2) 3.200 1.4 0.0 !   secondcnoeassignment.477
assign (resid 3 and name HA) (resid 96 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.165
assign (resid 3 and name HB1) (resid 96 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.375
assign (resid 96 and name HB#) (resid 3 and name HB1) 6.000 4.2 0.0 !   secondcnoeassignment.672
assign (resid 3 and name HB2) (resid 96 and name HB#) 6.000 4.2 0.0 !   secondcnoeassignment.374
assign (resid 96 and name HB#) (resid 3 and name HB2) 6.000 4.2 0.0 !   secondcnoeassignment.670
assign (resid 27 and name HG) (resid 96 and name HA) 6.000 4.2 0.0 !   secondcnoeassignment.466
assign (resid 96 and name HB#) (resid 95 and name HB1) 4.200 2.4 0.0 !   secondcnoeassignment.673
assign (resid 96 and name HB#) (resid 95 and name HG1) 6.000 4.2 0.0 !   secondcnoeassignment.674
assign (resid 96 and name HA) (resid 96 and name HB#) 3.200 1.4 0.0 !   secondcnoeassignment.180
assign (resid 96 and name HB#) (resid 96 and name HA) 3.200 1.4 0.0 !   secondcnoeassignment.671
assign (resid 3 and name HN) (resid 2 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.598
assign (resid 3 and name HN) (resid 3 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.600
assign (resid 3 and name HN) (resid 3 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.602
assign (resid 3 and name HN) (resid 3 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.601
assign (resid 4 and name HN) (resid 3 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.224
assign (resid 4 and name HN) (resid 3 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.221
assign (resid 4 and name HN) (resid 3 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.219
assign (resid 3 and name HN) (resid 4 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.599
assign (resid 4 and name HN) (resid 4 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.220
assign (resid 4 and name HN) (resid 4 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.225
assign (resid 4 and name HN) (resid 4 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.222
assign (resid 5 and name HN) (resid 4 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.0
assign (resid 7 and name HN) (resid 5 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.137
assign (resid 7 and name HN) (resid 6 and name HA2) 3.200 1.4 0.0 !   n15hsqcsecondassign.135
assign (resid 4 and name HN) (resid 8 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.226
assign (resid 7 and name HN) (resid 8 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.134
assign (resid 8 and name HN) (resid 8 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.397
assign (resid 8 and name HN) (resid 8 and name HB) 3.800 2.0 0.0 !   n15hsqcsecondassign.400
assign (resid 8 and name HN) (resid 8 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.402
assign (resid 8 and name HN) (resid 8 and name HG2#) 3.200 1.4 0.0 !   n15hsqcsecondassign.403
assign (resid 8 and name HN) (resid 9 and name HB) 6.700 4.9 0.0 !   n15hsqcsecondassign.404
assign (resid 9 and name HN) (resid 8 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.567
assign (resid 9 and name HN) (resid 8 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.564
assign (resid 9 and name HN) (resid 8 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.571
assign (resid 9 and name HN) (resid 8 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.563
assign (resid 9 and name HN) (resid 9 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.568
assign (resid 9 and name HN) (resid 9 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.566
assign (resid 9 and name HN) (resid 9 and name HG2#) 4.500 2.7 0.0 !   n15hsqcsecondassign.570
assign (resid 10 and name HN) (resid 9 and name HB) 3.800 2.0 0.0 !   n15hsqcsecondassign.188
assign (resid 10 and name HN) (resid 9 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.195
assign (resid 9 and name HN) (resid 10 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.562
assign (resid 10 and name HN) (resid 10 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.189
assign (resid 10 and name HN) (resid 10 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.193
assign (resid 10 and name HN) (resid 10 and name HD2) 6.000 4.2 0.0 !   n15hsqcsecondassign.190
assign (resid 10 and name HN) (resid 10 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.196
assign (resid 11 and name HN) (resid 9 and name HA) 3.700 1.9 0.0 !   n15hsqcsecondassign.470
assign (resid 11 and name HN) (resid 9 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.473
assign (resid 11 and name HN) (resid 10 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.475
assign (resid 11 and name HN) (resid 10 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.471
assign (resid 11 and name HN) (resid 10 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.472
assign (resid 11 and name HN) (resid 10 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.476
assign (resid 10 and name HN) (resid 11 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.186
assign (resid 11 and name HN) (resid 10 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.474
assign (resid 12 and name HN) (resid 9 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.344
assign (resid 12 and name HN) (resid 9 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.349
assign (resid 9 and name HN) (resid 12 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.565
assign (resid 10 and name HN) (resid 12 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.187
assign (resid 11 and name HN) (resid 12 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.469
assign (resid 12 and name HN) (resid 12 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.345
assign (resid 12 and name HN) (resid 12 and name HG1) 3.200 1.4 0.0 !   n15hsqcsecondassign.346
assign (resid 12 and name HN) (resid 12 and name HG2) 3.800 2.0 0.0 !   n15hsqcsecondassign.348
assign (resid 13 and name HN) (resid 8 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.179
assign (resid 13 and name HN) (resid 10 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.172
assign (resid 13 and name HN) (resid 12 and name HG2) 6.000 4.2 0.0 !   n15hsqcsecondassign.175
assign (resid 13 and name HN) (resid 12 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.170
assign (resid 12 and name HN) (resid 13 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.343
assign (resid 13 and name HN) (resid 13 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.171
assign (resid 13 and name HN) (resid 13 and name HB#) 3.800 2.0 0.0 !   n15hsqcsecondassign.176
assign (resid 14 and name HN) (resid 9 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.487
assign (resid 10 and name HN) (resid 14 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.192
assign (resid 12 and name HN) (resid 14 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.347
assign (resid 13 and name HN) (resid 14 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.174
assign (resid 13 and name HN) (resid 14 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.169
assign (resid 14 and name HN) (resid 13 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.485
assign (resid 14 and name HN) (resid 14 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.488
assign (resid 14 and name HN) (resid 14 and name HB2) 3.500 1.7 0.0 !   n15hsqcsecondassign.490
assign (resid 14 and name HN) (resid 14 and name HG1) 3.200 1.4 0.0 !   n15hsqcsecondassign.491
assign (resid 14 and name HN) (resid 14 and name HG2) 3.200 1.4 0.0 !   n15hsqcsecondassign.489
assign (resid 15 and name HN) (resid 13 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.543
assign (resid 15 and name HN) (resid 13 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.524
assign (resid 15 and name HN) (resid 14 and name HG1) 3.800 2.0 0.0 !   n15hsqcsecondassign.542
assign (resid 15 and name HN) (resid 14 and name HG2) 3.200 1.4 0.0 !   n15hsqcsecondassign.540
assign (resid 14 and name HN) (resid 15 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.486
assign (resid 15 and name HN) (resid 14 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.537
assign (resid 15 and name HN) (resid 15 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.539
assign (resid 13 and name HN) (resid 16 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.177
assign (resid 16 and name HN) (resid 13 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.213
assign (resid 14 and name HN) (resid 16 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.492
assign (resid 15 and name HN) (resid 16 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.544
assign (resid 16 and name HN) (resid 16 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.205
assign (resid 16 and name HN) (resid 16 and name HB#) 3.200 1.4 0.0 !   n15hsqcsecondassign.215
assign (resid 17 and name HN) (resid 14 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.430
assign (resid 15 and name HN) (resid 17 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.538
assign (resid 17 and name HN) (resid 16 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.429
assign (resid 17 and name HN) (resid 16 and name HB#) 3.800 2.0 0.0 !   n15hsqcsecondassign.434
assign (resid 16 and name HN) (resid 17 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.204
assign (resid 17 and name HN) (resid 16 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.428
assign (resid 17 and name HN) (resid 17 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.432
assign (resid 17 and name HN) (resid 17 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.437
assign (resid 17 and name HN) (resid 17 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.436
assign (resid 17 and name HN) (resid 17 and name HG) 3.200 1.4 0.0 !   n15hsqcsecondassign.433
assign (resid 18 and name HN) (resid 14 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.419
assign (resid 18 and name HN) (resid 14 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.422
assign (resid 18 and name HN) (resid 15 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.415
assign (resid 18 and name HN) (resid 16 and name HA) 4.100 2.3 0.0 !   n15hsqcsecondassign.418
assign (resid 18 and name HN) (resid 16 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.424
assign (resid 18 and name HN) (resid 16 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.416
assign (resid 17 and name HN) (resid 18 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.431
assign (resid 18 and name HN) (resid 17 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.426
assign (resid 18 and name HN) (resid 17 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.425
assign (resid 18 and name HN) (resid 17 and name HG) 6.000 4.2 0.0 !   n15hsqcsecondassign.423
assign (resid 18 and name HN) (resid 17 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.414
assign (resid 17 and name HN) (resid 18 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.427
assign (resid 18 and name HN) (resid 18 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.417
assign (resid 18 and name HN) (resid 18 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.420
assign (resid 18 and name HN) (resid 18 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.421
assign (resid 19 and name HN) (resid 16 and name HB#) 7.100 5.3 0.0 !   n15hsqcsecondassign.340
assign (resid 19 and name HN) (resid 17 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.341
assign (resid 19 and name HN) (resid 17 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.339
assign (resid 19 and name HN) (resid 18 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.335
assign (resid 19 and name HN) (resid 18 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.336
assign (resid 19 and name HN) (resid 18 and name HB2) 4.200 2.4 0.0 !   n15hsqcsecondassign.337
assign (resid 19 and name HN) (resid 18 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.333
assign (resid 18 and name HN) (resid 19 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.413
assign (resid 20 and name HN) (resid 17 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.595
assign (resid 20 and name HN) (resid 18 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.592
assign (resid 19 and name HN) (resid 20 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.334
assign (resid 20 and name HN) (resid 19 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.593
assign (resid 21 and name HN) (resid 17 and name HG) 6.000 4.2 0.0 !   n15hsqcsecondassign.604
assign (resid 21 and name HN) (resid 19 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.606
assign (resid 17 and name HN) (resid 22 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.435
assign (resid 20 and name HN) (resid 22 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.594
assign (resid 20 and name HN) (resid 22 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.597
assign (resid 21 and name HN) (resid 22 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.607
assign (resid 22 and name HN) (resid 21 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.321
assign (resid 21 and name HN) (resid 22 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.605
assign (resid 22 and name HN) (resid 22 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.322
assign (resid 22 and name HN) (resid 22 and name HB) 3.800 2.0 0.0 !   n15hsqcsecondassign.324
assign (resid 22 and name HN) (resid 22 and name HG2#) 3.200 1.4 0.0 !   n15hsqcsecondassign.325
assign (resid 24 and name HN) (resid 24 and name HA1) 3.800 2.0 0.0 !   n15hsqcsecondassign.534
assign (resid 24 and name HN) (resid 24 and name HA2) 3.800 2.0 0.0 !   n15hsqcsecondassign.535
assign (resid 25 and name HN) (resid 17 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.106
assign (resid 22 and name HN) (resid 25 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.323
assign (resid 25 and name HN) (resid 22 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.105
assign (resid 22 and name HN) (resid 25 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.320
assign (resid 25 and name HN) (resid 24 and name HA1) 6.000 4.2 0.0 !   n15hsqcsecondassign.100
assign (resid 25 and name HN) (resid 24 and name HA2) 6.000 4.2 0.0 !   n15hsqcsecondassign.101
assign (resid 25 and name HN) (resid 25 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.99
assign (resid 25 and name HN) (resid 25 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.102
assign (resid 25 and name HN) (resid 25 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.103
assign (resid 26 and name HN) (resid 25 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.546
assign (resid 26 and name HN) (resid 25 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.547
assign (resid 26 and name HN) (resid 25 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.545
assign (resid 13 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.178
assign (resid 27 and name HN) (resid 26 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.526
assign (resid 27 and name HN) (resid 26 and name HB2) 4.100 2.3 0.0 !   n15hsqcsecondassign.529
assign (resid 27 and name HN) (resid 26 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.523
assign (resid 27 and name HN) (resid 27 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.528
assign (resid 27 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.532
assign (resid 27 and name HN) (resid 27 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.530
assign (resid 27 and name HN) (resid 27 and name HG) 6.000 4.2 0.0 !   n15hsqcsecondassign.533
assign (resid 28 and name HN) (resid 27 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.246
assign (resid 28 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.251
assign (resid 28 and name HN) (resid 28 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.245
assign (resid 28 and name HN) (resid 28 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.247
assign (resid 28 and name HN) (resid 28 and name HG12) 6.000 4.2 0.0 !   n15hsqcsecondassign.248
assign (resid 28 and name HN) (resid 28 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.250
assign (resid 8 and name HN) (resid 29 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.396
assign (resid 8 and name HN) (resid 29 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.401
assign (resid 8 and name HN) (resid 29 and name HD1) 6.000 4.2 0.0 !   n15hsqcsecondassign.399
assign (resid 8 and name HN) (resid 29 and name HD2) 6.000 4.2 0.0 !   n15hsqcsecondassign.398
assign (resid 10 and name HN) (resid 29 and name HD1) 6.000 4.2 0.0 !   n15hsqcsecondassign.191
assign (resid 13 and name HN) (resid 29 and name HD1) 4.700 2.9 0.0 !   n15hsqcsecondassign.173
assign (resid 29 and name HN) (resid 28 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.116
assign (resid 29 and name HN) (resid 28 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.123
assign (resid 29 and name HN) (resid 28 and name HG11) 6.000 4.2 0.0 !   n15hsqcsecondassign.121
assign (resid 29 and name HN) (resid 28 and name HG12) 6.000 4.2 0.0 !   n15hsqcsecondassign.119
assign (resid 29 and name HN) (resid 28 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.122
assign (resid 29 and name HN) (resid 29 and name HD1) 6.000 4.2 0.0 !   n15hsqcsecondassign.118
assign (resid 29 and name HN) (resid 29 and name HD2) 6.000 4.2 0.0 !   n15hsqcsecondassign.124
assign (resid 29 and name HN) (resid 29 and name HG1) 3.800 2.0 0.0 !   n15hsqcsecondassign.120
assign (resid 30 and name HN) (resid 8 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.158
assign (resid 30 and name HN) (resid 29 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.152
assign (resid 30 and name HN) (resid 29 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.157
assign (resid 30 and name HN) (resid 29 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.156
assign (resid 30 and name HN) (resid 29 and name HG2) 6.000 4.2 0.0 !   n15hsqcsecondassign.155
assign (resid 30 and name HN) (resid 29 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.150
assign (resid 30 and name HN) (resid 30 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.153
assign (resid 30 and name HN) (resid 30 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.154
assign (resid 31 and name HN) (resid 30 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.499
assign (resid 31 and name HN) (resid 30 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.495
assign (resid 31 and name HN) (resid 30 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.496
assign (resid 30 and name HN) (resid 31 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.151
assign (resid 31 and name HN) (resid 31 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.500
assign (resid 31 and name HN) (resid 31 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.494
assign (resid 31 and name HN) (resid 31 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.501
assign (resid 32 and name HN) (resid 30 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.13
assign (resid 32 and name HN) (resid 31 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.10
assign (resid 32 and name HN) (resid 31 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.12
assign (resid 32 and name HN) (resid 31 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.11
assign (resid 32 and name HN) (resid 31 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.9
assign (resid 32 and name HN) (resid 33 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.8
assign (resid 33 and name HN) (resid 33 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.574
assign (resid 33 and name HN) (resid 33 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.575
assign (resid 31 and name HN) (resid 34 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.498
assign (resid 32 and name HN) (resid 34 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.7
assign (resid 34 and name HN) (resid 32 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.445
assign (resid 33 and name HN) (resid 34 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.573
assign (resid 34 and name HN) (resid 33 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.449
assign (resid 34 and name HN) (resid 33 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.446
assign (resid 33 and name HN) (resid 34 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.572
assign (resid 34 and name HN) (resid 34 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.447
assign (resid 34 and name HN) (resid 34 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.450
assign (resid 34 and name HN) (resid 35 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.448
assign (resid 36 and name HN) (resid 34 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.584
assign (resid 36 and name HN) (resid 34 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.588
assign (resid 36 and name HN) (resid 35 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.590
assign (resid 36 and name HN) (resid 35 and name HG2) 3.200 1.4 0.0 !   n15hsqcsecondassign.591
assign (resid 36 and name HN) (resid 36 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.586
assign (resid 36 and name HN) (resid 36 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.587
assign (resid 31 and name HN) (resid 37 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.503
assign (resid 37 and name HN) (resid 31 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.319
assign (resid 34 and name HN) (resid 37 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.452
assign (resid 34 and name HN) (resid 37 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.451
assign (resid 37 and name HN) (resid 34 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.311
assign (resid 37 and name HN) (resid 34 and name HB2) 4.500 2.7 0.0 !   n15hsqcsecondassign.313
assign (resid 37 and name HN) (resid 35 and name HA) 4.400 2.6 0.0 !   n15hsqcsecondassign.317
assign (resid 36 and name HN) (resid 37 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.583
assign (resid 36 and name HN) (resid 37 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.589
assign (resid 37 and name HN) (resid 36 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.318
assign (resid 37 and name HN) (resid 36 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.312
assign (resid 37 and name HN) (resid 36 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.309
assign (resid 36 and name HN) (resid 37 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.582
assign (resid 37 and name HN) (resid 37 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.310
assign (resid 37 and name HN) (resid 37 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.314
assign (resid 37 and name HN) (resid 37 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.315
assign (resid 31 and name HN) (resid 38 and name HA) 4.200 2.4 0.0 !   n15hsqcsecondassign.493
assign (resid 31 and name HN) (resid 38 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.502
assign (resid 38 and name HN) (resid 31 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.438
assign (resid 38 and name HN) (resid 37 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.440
assign (resid 38 and name HN) (resid 37 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.442
assign (resid 37 and name HN) (resid 38 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.316
assign (resid 38 and name HN) (resid 37 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.439
assign (resid 38 and name HN) (resid 38 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.441
assign (resid 39 and name HN) (resid 28 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.514
assign (resid 29 and name HN) (resid 39 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.117
assign (resid 39 and name HN) (resid 29 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.513
assign (resid 29 and name HN) (resid 39 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.115
assign (resid 39 and name HN) (resid 29 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.504
assign (resid 39 and name HN) (resid 30 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.505
assign (resid 31 and name HN) (resid 39 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.497
assign (resid 39 and name HN) (resid 31 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.506
assign (resid 39 and name HN) (resid 38 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.508
assign (resid 39 and name HN) (resid 38 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.511
assign (resid 39 and name HN) (resid 38 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.512
assign (resid 38 and name HN) (resid 39 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.444
assign (resid 39 and name HN) (resid 39 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.507
assign (resid 39 and name HN) (resid 39 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.509
assign (resid 39 and name HN) (resid 39 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.510
assign (resid 27 and name HN) (resid 40 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.531
assign (resid 29 and name HN) (resid 40 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.125
assign (resid 40 and name HN) (resid 39 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.80
assign (resid 40 and name HN) (resid 39 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.82
assign (resid 40 and name HN) (resid 39 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.83
assign (resid 41 and name HN) (resid 9 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.112
assign (resid 41 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.114
assign (resid 41 and name HN) (resid 27 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.111
assign (resid 41 and name HN) (resid 27 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.107
assign (resid 27 and name HN) (resid 41 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.525
assign (resid 41 and name HN) (resid 28 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.108
assign (resid 41 and name HN) (resid 40 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.113
assign (resid 41 and name HN) (resid 41 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.109
assign (resid 41 and name HN) (resid 41 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.110
assign (resid 25 and name HN) (resid 42 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.104
assign (resid 26 and name HN) (resid 42 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.548
assign (resid 27 and name HN) (resid 42 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.527
assign (resid 42 and name HN) (resid 41 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.40
assign (resid 42 and name HN) (resid 41 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.42
assign (resid 42 and name HN) (resid 41 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.38
assign (resid 42 and name HN) (resid 42 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.41
assign (resid 42 and name HN) (resid 42 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.46
assign (resid 42 and name HN) (resid 42 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.44
assign (resid 42 and name HN) (resid 42 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.47
assign (resid 42 and name HN) (resid 42 and name HG) 6.000 4.2 0.0 !   n15hsqcsecondassign.45
assign (resid 43 and name HN) (resid 17 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.28
assign (resid 43 and name HN) (resid 17 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.23
assign (resid 43 and name HN) (resid 26 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.24
assign (resid 43 and name HN) (resid 42 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.25
assign (resid 43 and name HN) (resid 42 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.26
assign (resid 43 and name HN) (resid 42 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.27
assign (resid 45 and name HN) (resid 44 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.382
assign (resid 45 and name HN) (resid 44 and name HB#) 3.800 2.0 0.0 !   n15hsqcsecondassign.385
assign (resid 45 and name HN) (resid 44 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.380
assign (resid 45 and name HN) (resid 45 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.383
assign (resid 45 and name HN) (resid 45 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.384
assign (resid 46 and name HN) (resid 44 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.578
assign (resid 46 and name HN) (resid 44 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.581
assign (resid 46 and name HN) (resid 45 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.579
assign (resid 46 and name HN) (resid 45 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.576
assign (resid 46 and name HN) (resid 46 and name HA2) 3.200 1.4 0.0 !   n15hsqcsecondassign.580
assign (resid 47 and name HN) (resid 44 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.301
assign (resid 47 and name HN) (resid 44 and name HB#) 3.800 2.0 0.0 !   n15hsqcsecondassign.308
assign (resid 47 and name HN) (resid 44 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.300
assign (resid 45 and name HN) (resid 47 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.381
assign (resid 47 and name HN) (resid 46 and name HA2) 3.200 1.4 0.0 !   n15hsqcsecondassign.304
assign (resid 46 and name HN) (resid 47 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.577
assign (resid 47 and name HN) (resid 47 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.302
assign (resid 47 and name HN) (resid 47 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.306
assign (resid 47 and name HN) (resid 47 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.307
assign (resid 47 and name HN) (resid 47 and name HE2) 6.000 4.2 0.0 !   n15hsqcsecondassign.305
assign (resid 42 and name HN) (resid 48 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.43
assign (resid 48 and name HN) (resid 44 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.368
assign (resid 48 and name HN) (resid 47 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.364
assign (resid 48 and name HN) (resid 47 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.366
assign (resid 48 and name HN) (resid 47 and name HD2) 3.500 1.7 0.0 !   n15hsqcsecondassign.367
assign (resid 48 and name HN) (resid 47 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.362
assign (resid 48 and name HN) (resid 48 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.363
assign (resid 48 and name HN) (resid 48 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.365
assign (resid 49 and name HN) (resid 42 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.256
assign (resid 42 and name HN) (resid 49 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.39
assign (resid 49 and name HN) (resid 42 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.265
assign (resid 49 and name HN) (resid 44 and name HB#) 5.000 3.2 0.0 !   n15hsqcsecondassign.257
assign (resid 49 and name HN) (resid 48 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.259
assign (resid 49 and name HN) (resid 48 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.261
assign (resid 49 and name HN) (resid 48 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.262
assign (resid 49 and name HN) (resid 49 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.260
assign (resid 49 and name HN) (resid 49 and name HG2) 3.800 2.0 0.0 !   n15hsqcsecondassign.264
assign (resid 50 and name HN) (resid 49 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.372
assign (resid 50 and name HN) (resid 49 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.371
assign (resid 50 and name HN) (resid 50 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.373
assign (resid 51 and name HN) (resid 50 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.218
assign (resid 51 and name HN) (resid 50 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.216
assign (resid 50 and name HN) (resid 51 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.370
assign (resid 40 and name HN) (resid 52 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.81
assign (resid 52 and name HN) (resid 52 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.86
assign (resid 52 and name HN) (resid 52 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.87
assign (resid 52 and name HN) (resid 52 and name HG2) 6.000 4.2 0.0 !   n15hsqcsecondassign.85
assign (resid 38 and name HN) (resid 53 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.443
assign (resid 53 and name HN) (resid 38 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.68
assign (resid 39 and name HN) (resid 53 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.515
assign (resid 53 and name HN) (resid 39 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.66
assign (resid 52 and name HN) (resid 53 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.88
assign (resid 53 and name HN) (resid 52 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.67
assign (resid 53 and name HN) (resid 52 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.70
assign (resid 53 and name HN) (resid 52 and name HG2) 6.000 4.2 0.0 !   n15hsqcsecondassign.71
assign (resid 53 and name HN) (resid 53 and name HB) 3.800 2.0 0.0 !   n15hsqcsecondassign.69
assign (resid 53 and name HN) (resid 53 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.72
assign (resid 54 and name HN) (resid 53 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.92
assign (resid 54 and name HN) (resid 53 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.97
assign (resid 54 and name HN) (resid 53 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.98
assign (resid 53 and name HN) (resid 54 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.65
assign (resid 54 and name HN) (resid 53 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.90
assign (resid 54 and name HN) (resid 54 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.91
assign (resid 54 and name HN) (resid 54 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.96
assign (resid 54 and name HN) (resid 54 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.95
assign (resid 55 and name HN) (resid 36 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.15
assign (resid 55 and name HN) (resid 36 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.16
assign (resid 55 and name HN) (resid 54 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.14
assign (resid 55 and name HN) (resid 55 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.19
assign (resid 55 and name HN) (resid 55 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.18
assign (resid 55 and name HN) (resid 55 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.20
assign (resid 55 and name HN) (resid 55 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.21
assign (resid 56 and name HN) (resid 55 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.2
assign (resid 56 and name HN) (resid 55 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.6
assign (resid 55 and name HN) (resid 56 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.22
assign (resid 56 and name HN) (resid 56 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.3
assign (resid 56 and name HN) (resid 56 and name HB) 3.200 1.4 0.0 !   n15hsqcsecondassign.4
assign (resid 56 and name HN) (resid 56 and name HG1#) 3.800 2.0 0.0 !   n15hsqcsecondassign.5
assign (resid 57 and name HN) (resid 56 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.36
assign (resid 57 and name HN) (resid 56 and name HG1#) 3.600 1.8 0.0 !   n15hsqcsecondassign.37
assign (resid 57 and name HN) (resid 57 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.34
assign (resid 57 and name HN) (resid 57 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.35
assign (resid 58 and name HN) (resid 55 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.615
assign (resid 58 and name HN) (resid 56 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.614
assign (resid 58 and name HN) (resid 57 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.610
assign (resid 58 and name HN) (resid 57 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.613
assign (resid 57 and name HN) (resid 58 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.32
assign (resid 58 and name HN) (resid 57 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.608
assign (resid 58 and name HN) (resid 58 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.611
assign (resid 59 and name HN) (resid 55 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.462
assign (resid 59 and name HN) (resid 55 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.468
assign (resid 56 and name HN) (resid 59 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.1
assign (resid 59 and name HN) (resid 56 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.460
assign (resid 59 and name HN) (resid 57 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.465
assign (resid 59 and name HN) (resid 57 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.466
assign (resid 57 and name HN) (resid 59 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.33
assign (resid 59 and name HN) (resid 57 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.459
assign (resid 59 and name HN) (resid 58 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.464
assign (resid 59 and name HN) (resid 58 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.461
assign (resid 58 and name HN) (resid 59 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.609
assign (resid 61 and name HN) (resid 53 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.211
assign (resid 54 and name HN) (resid 61 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.93
assign (resid 54 and name HN) (resid 61 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.94
assign (resid 54 and name HN) (resid 61 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.89
assign (resid 61 and name HN) (resid 54 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.206
assign (resid 55 and name HN) (resid 61 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.17
assign (resid 61 and name HN) (resid 55 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.210
assign (resid 61 and name HN) (resid 55 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.212
assign (resid 61 and name HN) (resid 60 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.208
assign (resid 61 and name HN) (resid 60 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.217
assign (resid 61 and name HN) (resid 61 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.209
assign (resid 62 and name HN) (resid 53 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.149
assign (resid 62 and name HN) (resid 61 and name HA) 3.500 1.7 0.0 !   n15hsqcsecondassign.143
assign (resid 62 and name HN) (resid 61 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.145
assign (resid 62 and name HN) (resid 61 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.146
assign (resid 62 and name HN) (resid 61 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.140
assign (resid 61 and name HN) (resid 62 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.207
assign (resid 62 and name HN) (resid 62 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.144
assign (resid 62 and name HN) (resid 62 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.160
assign (resid 62 and name HN) (resid 62 and name HG12) 6.000 4.2 0.0 !   n15hsqcsecondassign.147
assign (resid 62 and name HN) (resid 62 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.148
assign (resid 63 and name HN) (resid 62 and name HA) 3.200 1.4 0.0 !   hsqcnoe800assign.699
assign (resid 63 and name HN) (resid 62 and name HB) 6.000 4.2 0.0 !   hsqcnoe800assign.702
assign (resid 63 and name HN) (resid 62 and name HD1#) 6.000 4.2 0.0 !   hsqcnoe800assign.704
assign (resid 63 and name HN) (resid 62 and name HG11) 6.000 4.2 0.0 !   hsqcnoe800assign.697
assign (resid 63 and name HN) (resid 62 and name HG12) 6.000 4.2 0.0 !   hsqcnoe800assign.696
assign (resid 63 and name HN) (resid 62 and name HG2#) 6.000 4.2 0.0 !   hsqcnoe800assign.703
assign (resid 63 and name HN) (resid 62 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.698
assign (resid 63 and name HN) (resid 63 and name HA1) 3.200 1.4 0.0 !   hsqcnoe800assign.700
assign (resid 63 and name HN) (resid 63 and name HA2) 3.200 1.4 0.0 !   hsqcnoe800assign.701
assign (resid 60 and name HN) (resid 66 and name HA) 6.000 4.2 0.0 !   hsqcnoe800assign.379
assign (resid 62 and name HN) (resid 66 and name HA) 3.800 2.0 0.0 !   hsqcnoe800assign.253
assign (resid 62 and name HN) (resid 66 and name HD1) 3.800 2.0 0.0 !   hsqcnoe800assign.255
assign (resid 62 and name HN) (resid 66 and name HG2) 6.000 4.2 0.0 !   hsqcnoe800assign.250
assign (resid 66 and name HN) (resid 66 and name HA) 3.800 2.0 0.0 !   hsqcnoe800assign.434
assign (resid 66 and name HN) (resid 66 and name HB1) 3.600 1.8 0.0 !   hsqcnoe800assign.438
assign (resid 66 and name HN) (resid 66 and name HD1) 6.000 4.2 0.0 !   hsqcnoe800assign.436
assign (resid 66 and name HN) (resid 66 and name HG2) 4.400 2.6 0.0 !   hsqcnoe800assign.437
assign (resid 67 and name HN) (resid 59 and name HA) 6.000 4.2 0.0 !   hsqcnoe800assign.508
assign (resid 67 and name HN) (resid 59 and name HB) 6.000 4.2 0.0 !   hsqcnoe800assign.512
assign (resid 67 and name HN) (resid 59 and name HG1#) 6.000 4.2 0.0 !   hsqcnoe800assign.515
assign (resid 67 and name HN) (resid 59 and name HG2#) 6.000 4.2 0.0 !   hsqcnoe800assign.514
assign (resid 60 and name HN) (resid 67 and name HB1) 6.000 4.2 0.0 !   hsqcnoe800assign.372
assign (resid 60 and name HN) (resid 67 and name HB2) 6.000 4.2 0.0 !   hsqcnoe800assign.380
assign (resid 67 and name HN) (resid 60 and name HB1) 6.000 4.2 0.0 !   hsqcnoe800assign.520
assign (resid 67 and name HN) (resid 60 and name HB2) 6.000 4.2 0.0 !   hsqcnoe800assign.510
assign (resid 60 and name HN) (resid 67 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.367
assign (resid 67 and name HN) (resid 60 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.504
assign (resid 67 and name HN) (resid 61 and name HA) 6.000 4.2 0.0 !   hsqcnoe800assign.506
assign (resid 67 and name HN) (resid 62 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.517
assign (resid 66 and name HN) (resid 67 and name HA) 6.000 4.2 0.0 !   hsqcnoe800assign.435
assign (resid 67 and name HN) (resid 66 and name HA) 3.200 1.4 0.0 !   hsqcnoe800assign.507
assign (resid 67 and name HN) (resid 66 and name HB1) 3.200 1.4 0.0 !   hsqcnoe800assign.513
assign (resid 67 and name HN) (resid 66 and name HD1) 6.000 4.2 0.0 !   hsqcnoe800assign.522
assign (resid 67 and name HN) (resid 66 and name HG2) 6.000 4.2 0.0 !   hsqcnoe800assign.521
assign (resid 66 and name HN) (resid 67 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.433
assign (resid 67 and name HN) (resid 66 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.505
assign (resid 67 and name HN) (resid 67 and name HA) 3.800 2.0 0.0 !   hsqcnoe800assign.518
assign (resid 67 and name HN) (resid 67 and name HB1) 3.800 2.0 0.0 !   hsqcnoe800assign.511
assign (resid 67 and name HN) (resid 67 and name HB2) 3.800 2.0 0.0 !   hsqcnoe800assign.509
assign (resid 67 and name HN) (resid 68 and name HA) 6.000 4.2 0.0 !   hsqcnoe800assign.519
assign (resid 68 and name HN) (resid 67 and name HA) 3.200 1.4 0.0 !   hsqcnoe800assign.449
assign (resid 68 and name HN) (resid 67 and name HB1) 6.000 4.2 0.0 !   hsqcnoe800assign.445
assign (resid 68 and name HN) (resid 67 and name HB2) 3.800 2.0 0.0 !   hsqcnoe800assign.451
assign (resid 67 and name HN) (resid 68 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.516
assign (resid 68 and name HN) (resid 68 and name HA) 3.800 2.0 0.0 !   hsqcnoe800assign.450
assign (resid 68 and name HN) (resid 68 and name HB1) 3.200 1.4 0.0 !   hsqcnoe800assign.444
assign (resid 69 and name HN) (resid 67 and name HB1) 3.800 2.0 0.0 !   hsqcnoe800assign.21
assign (resid 69 and name HN) (resid 67 and name HB2) 3.800 2.0 0.0 !   hsqcnoe800assign.20
assign (resid 68 and name HN) (resid 69 and name HB) 4.200 2.4 0.0 !   hsqcnoe800assign.448
assign (resid 69 and name HN) (resid 68 and name HA) 3.800 2.0 0.0 !   hsqcnoe800assign.18
assign (resid 69 and name HN) (resid 68 and name HB1) 4.500 2.7 0.0 !   hsqcnoe800assign.19
assign (resid 69 and name HN) (resid 68 and name HN) 3.200 1.4 0.0 !   hsqcnoe800assign.15
assign (resid 69 and name HN) (resid 68 and name HN) 3.200 1.4 0.0 !   hsqcnoe800assign.23
assign (resid 68 and name HN) (resid 69 and name HN) 3.800 2.0 0.0 !   hsqcnoe800assign.446
assign (resid 69 and name HN) (resid 69 and name HA) 3.200 1.4 0.0 !   hsqcnoe800assign.24
assign (resid 70 and name HN) (resid 69 and name HA) 3.200 1.4 0.0 !   hsqcnoe800assign.441
assign (resid 69 and name HN) (resid 70 and name HN) 6.000 4.2 0.0 !   hsqcnoe800assign.14
assign (resid 70 and name HN) (resid 70 and name HA) 3.800 2.0 0.0 !   hsqcnoe800assign.442
assign (resid 70 and name HN) (resid 70 and name HB1) 6.000 4.2 0.0 !   hsqcnoe800assign.443
assign (resid 70 and name HN) (resid 71 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.254
assign (resid 71 and name HN) (resid 70 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.453
assign (resid 71 and name HN) (resid 71 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.456
assign (resid 71 and name HN) (resid 71 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.458
assign (resid 70 and name HN) (resid 72 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.258
assign (resid 71 and name HN) (resid 72 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.457
assign (resid 72 and name HN) (resid 71 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.352
assign (resid 72 and name HN) (resid 71 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.351
assign (resid 71 and name HN) (resid 72 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.454
assign (resid 70 and name HN) (resid 73 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.255
assign (resid 71 and name HN) (resid 73 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.455
assign (resid 72 and name HN) (resid 73 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.350
assign (resid 72 and name HN) (resid 73 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.353
assign (resid 73 and name HN) (resid 72 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.163
assign (resid 73 and name HN) (resid 73 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.165
assign (resid 73 and name HN) (resid 73 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.161
assign (resid 73 and name HN) (resid 73 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.167
assign (resid 73 and name HN) (resid 73 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.168
assign (resid 74 and name HN) (resid 73 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.356
assign (resid 74 and name HN) (resid 73 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.359
assign (resid 74 and name HN) (resid 73 and name HG) 6.000 4.2 0.0 !   n15hsqcsecondassign.358
assign (resid 73 and name HN) (resid 74 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.162
assign (resid 74 and name HN) (resid 73 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.354
assign (resid 74 and name HN) (resid 74 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.355
assign (resid 74 and name HN) (resid 74 and name HB) 3.200 1.4 0.0 !   n15hsqcsecondassign.357
assign (resid 74 and name HN) (resid 74 and name HG1#) 4.300 2.5 0.0 !   n15hsqcsecondassign.361
assign (resid 74 and name HN) (resid 75 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.354add
assign (resid 75 and name HN) (resid 73 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.551
assign (resid 75 and name HN) (resid 73 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.549
assign (resid 75 and name HN) (resid 74 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.550
assign (resid 75 and name HN) (resid 74 and name HB) 3.200 1.4 0.0 !   n15hsqcsecondassign.552
assign (resid 75 and name HN) (resid 74 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.553
assign (resid 75 and name HN) (resid 76 and name HN) 3.200 2.0 0.0 !   n15hsqcsecondassign.354add
assign (resid 76 and name HN) (resid 74 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.266
assign (resid 77 and name HN) (resid 73 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.554
assign (resid 77 and name HN) (resid 74 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.559
assign (resid 77 and name HN) (resid 75 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.555
assign (resid 76 and name HN) (resid 77 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.354add
assign (resid 77 and name HN) (resid 77 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.557
assign (resid 77 and name HN) (resid 77 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.560
assign (resid 77 and name HN) (resid 77 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.558
assign (resid 73 and name HN) (resid 78 and name HE2) 6.000 4.2 0.0 !   n15hsqcsecondassign.164
assign (resid 73 and name HN) (resid 78 and name HG2) 6.000 4.2 0.0 !   n15hsqcsecondassign.166
assign (resid 76 and name HN) (resid 78 and name HG2) 4.500 2.7 0.0 !   n15hsqcsecondassign.267
assign (resid 78 and name HN) (resid 77 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.479
assign (resid 78 and name HN) (resid 77 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.484
assign (resid 78 and name HN) (resid 77 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.478
assign (resid 77 and name HN) (resid 78 and name HN) 3.200 1.4 0.0 !   n15hsqcsecondassign.556
assign (resid 78 and name HN) (resid 78 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.480
assign (resid 78 and name HN) (resid 78 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.481
assign (resid 78 and name HN) (resid 78 and name HG1) 3.200 1.4 0.0 !   n15hsqcsecondassign.482
assign (resid 78 and name HN) (resid 78 and name HG2) 6.000 4.2 0.0 !   n15hsqcsecondassign.483
assign (resid 68 and name HN) (resid 79 and name HG1) 6.600 4.8 0.0 !   n15hsqcsecondassign.291
assign (resid 68 and name HN) (resid 79 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.288
assign (resid 79 and name HN) (resid 77 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.517
assign (resid 79 and name HN) (resid 78 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.518
assign (resid 79 and name HN) (resid 78 and name HB2) 3.200 1.4 0.0 !   n15hsqcsecondassign.520
assign (resid 79 and name HN) (resid 79 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.519
assign (resid 79 and name HN) (resid 79 and name HG1) 3.800 2.0 0.0 !   n15hsqcsecondassign.521
assign (resid 80 and name HN) (resid 78 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.48
assign (resid 78 and name HN) (resid 80 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.477
assign (resid 79 and name HN) (resid 80 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.522
assign (resid 80 and name HN) (resid 79 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.59
assign (resid 80 and name HN) (resid 79 and name HG1) 6.000 4.2 0.0 !   n15hsqcsecondassign.61
assign (resid 80 and name HN) (resid 79 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.56
assign (resid 79 and name HN) (resid 80 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.516
assign (resid 80 and name HN) (resid 80 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.58
assign (resid 80 and name HN) (resid 80 and name HB#) 3.200 1.4 0.0 !   n15hsqcsecondassign.62
assign (resid 80 and name HN) (resid 81 and name HD2) 6.000 4.2 0.0 !   n15hsqcsecondassign.60
assign (resid 82 and name HN) (resid 81 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.128
assign (resid 82 and name HN) (resid 81 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.129
assign (resid 82 and name HN) (resid 82 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.132
assign (resid 82 and name HN) (resid 82 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.133
assign (resid 82 and name HN) (resid 82 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.131
assign (resid 82 and name HN) (resid 82 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.130
assign (resid 83 and name HN) (resid 81 and name HB2) 6.600 4.8 0.0 !   n15hsqcsecondassign.276
assign (resid 83 and name HN) (resid 82 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.274
assign (resid 83 and name HN) (resid 82 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.278
assign (resid 83 and name HN) (resid 82 and name HG2#) 3.800 2.0 0.0 !   n15hsqcsecondassign.277
assign (resid 83 and name HN) (resid 82 and name HN) 4.300 2.5 0.0 !   n15hsqcsecondassign.271
assign (resid 83 and name HN) (resid 83 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.273
assign (resid 83 and name HN) (resid 83 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.270
assign (resid 83 and name HN) (resid 83 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.269
assign (resid 84 and name HN) (resid 83 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.199
assign (resid 84 and name HN) (resid 83 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.202
assign (resid 84 and name HN) (resid 83 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.201
assign (resid 84 and name HN) (resid 84 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.198
assign (resid 84 and name HN) (resid 84 and name HB) 3.200 1.4 0.0 !   n15hsqcsecondassign.200
assign (resid 84 and name HN) (resid 84 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.203
assign (resid 85 and name HN) (resid 84 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.238
assign (resid 85 and name HN) (resid 84 and name HB) 6.000 4.2 0.0 !   n15hsqcsecondassign.242
assign (resid 85 and name HN) (resid 84 and name HG2#) 3.800 2.0 0.0 !   n15hsqcsecondassign.243
assign (resid 85 and name HN) (resid 85 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.240
assign (resid 85 and name HN) (resid 85 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.241
assign (resid 85 and name HN) (resid 85 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.239
assign (resid 88 and name HN) (resid 84 and name HG2#) 6.600 4.8 0.0 !   n15hsqcsecondassign.619
assign (resid 88 and name HN) (resid 85 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.616
assign (resid 88 and name HN) (resid 88 and name HA1) 3.200 1.4 0.0 !   n15hsqcsecondassign.618
assign (resid 88 and name HN) (resid 88 and name HA2) 3.200 1.4 0.0 !   n15hsqcsecondassign.617
assign (resid 89 and name HN) (resid 84 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.279
assign (resid 89 and name HN) (resid 85 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.282
assign (resid 85 and name HN) (resid 89 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.236
assign (resid 89 and name HN) (resid 85 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.280
assign (resid 89 and name HN) (resid 88 and name HA1) 3.800 2.0 0.0 !   n15hsqcsecondassign.283
assign (resid 89 and name HN) (resid 89 and name HG1) 3.200 1.4 0.0 !   n15hsqcsecondassign.284
assign (resid 83 and name HN) (resid 90 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.272
assign (resid 90 and name HN) (resid 84 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.64
assign (resid 90 and name HN) (resid 85 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.63
assign (resid 89 and name HN) (resid 90 and name HD2) 6.000 4.2 0.0 !   n15hsqcsecondassign.285
assign (resid 90 and name HN) (resid 89 and name HG1) 3.800 2.0 0.0 !   n15hsqcsecondassign.76
assign (resid 90 and name HN) (resid 89 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.73
assign (resid 89 and name HN) (resid 90 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.281
assign (resid 90 and name HN) (resid 90 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.74
assign (resid 90 and name HN) (resid 90 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.79
assign (resid 90 and name HN) (resid 90 and name HD2) 3.800 2.0 0.0 !   n15hsqcsecondassign.78
assign (resid 90 and name HN) (resid 90 and name HE2) 6.000 4.2 0.0 !   n15hsqcsecondassign.75
assign (resid 91 and name HN) (resid 82 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.227
assign (resid 91 and name HN) (resid 83 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.231
assign (resid 91 and name HN) (resid 83 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.229
assign (resid 91 and name HN) (resid 90 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.230
assign (resid 91 and name HN) (resid 90 and name HB1) 3.200 1.4 0.0 !   n15hsqcsecondassign.232
assign (resid 91 and name HN) (resid 90 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.234
assign (resid 91 and name HN) (resid 91 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.233
assign (resid 91 and name HN) (resid 91 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.235
assign (resid 92 and name HN) (resid 42 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.329
assign (resid 92 and name HN) (resid 42 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.342
assign (resid 82 and name HN) (resid 92 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.127
assign (resid 92 and name HN) (resid 82 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.332
assign (resid 92 and name HN) (resid 91 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.326
assign (resid 92 and name HN) (resid 91 and name HB2) 4.400 2.6 0.0 !   n15hsqcsecondassign.330
assign (resid 92 and name HN) (resid 91 and name HD2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.331
assign (resid 91 and name HN) (resid 92 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.228
assign (resid 92 and name HN) (resid 92 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.327
assign (resid 92 and name HN) (resid 92 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.328
assign (resid 74 and name HN) (resid 93 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.360
assign (resid 77 and name HN) (resid 93 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.561
assign (resid 93 and name HN) (resid 77 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.389
assign (resid 93 and name HN) (resid 82 and name HD1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.394
assign (resid 93 and name HN) (resid 82 and name HG2#) 6.000 4.2 0.0 !   n15hsqcsecondassign.393
assign (resid 93 and name HN) (resid 92 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.387
assign (resid 93 and name HN) (resid 92 and name HB1) 3.800 2.0 0.0 !   n15hsqcsecondassign.390
assign (resid 93 and name HN) (resid 92 and name HB2) 6.000 4.2 0.0 !   n15hsqcsecondassign.391
assign (resid 93 and name HN) (resid 93 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.388
assign (resid 93 and name HN) (resid 93 and name HG) 3.200 1.4 0.0 !   n15hsqcsecondassign.392
assign (resid 24 and name HN) (resid 94 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.536
assign (resid 94 and name HN) (resid 93 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.182
assign (resid 94 and name HN) (resid 93 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.185
assign (resid 93 and name HN) (resid 94 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.386
assign (resid 94 and name HN) (resid 94 and name HB) 3.800 2.0 0.0 !   n15hsqcsecondassign.183
assign (resid 94 and name HN) (resid 94 and name HG1#) 3.800 2.0 0.0 !   n15hsqcsecondassign.184
assign (resid 94 and name HN) (resid 95 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.181
assign (resid 95 and name HN) (resid 94 and name HA) 6.000 4.2 0.0 !   n15hsqcsecondassign.376
assign (resid 95 and name HN) (resid 94 and name HB) 3.200 1.4 0.0 !   n15hsqcsecondassign.377
assign (resid 95 and name HN) (resid 94 and name HG1#) 6.000 4.2 0.0 !   n15hsqcsecondassign.379
assign (resid 94 and name HN) (resid 95 and name HN) 3.800 2.0 0.0 !   n15hsqcsecondassign.180
assign (resid 95 and name HN) (resid 95 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.375
assign (resid 95 and name HN) (resid 95 and name HB2) 3.800 2.0 0.0 !   n15hsqcsecondassign.378
assign (resid 3 and name HN) (resid 96 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.603
assign (resid 96 and name HN) (resid 3 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.52
assign (resid 4 and name HN) (resid 96 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.223
assign (resid 96 and name HN) (resid 95 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.50
assign (resid 96 and name HN) (resid 95 and name HB1) 6.000 4.2 0.0 !   n15hsqcsecondassign.53
assign (resid 96 and name HN) (resid 95 and name HN) 6.000 4.2 0.0 !   n15hsqcsecondassign.49
assign (resid 96 and name HN) (resid 96 and name HA) 3.800 2.0 0.0 !   n15hsqcsecondassign.51
assign (resid 96 and name HN) (resid 96 and name HB#) 3.200 1.4 0.0 !   n15hsqcsecondassign.55
assign (resid 97 and name HN) (resid 96 and name HA) 3.200 1.4 0.0 !   n15hsqcsecondassign.138
assign (resid 97 and name HN) (resid 96 and name HB#) 6.000 4.2 0.0 !   n15hsqcsecondassign.139

! Error ranges were set to 2*standard deviation of TALOS output or 15 deg if stdev was <15 deg.
 
 
! phi 
! 3-4 : 
assign (resid  3 and name c  ) (resid  4 and name n  )
(resid  4 and name ca  ) (resid  4 and name c  ) 1 -100.610 25.32 2
 
 
! psi
! 4-5 : 
assign (resid  4 and name n  ) (resid  4 and name ca  )
(resid 4 and name c ) (resid 5 and name n ) 1 111.770 57.1 2
 
 
! phi 
! 6-7 : 
assign (resid  6 and name c  ) (resid  7 and name n  )
(resid  7 and name ca  ) (resid  7 and name c  ) 1 -125.900 31.28 2
 
 
! psi
! 7-8 : 
assign (resid  7 and name n  ) (resid  7 and name ca  )
(resid 7 and name c ) (resid 8 and name n ) 1 148.890 40.92 2
 
 
! phi 
! 7-8 : 
assign (resid  7 and name c  ) (resid  8 and name n  )
(resid  8 and name ca  ) (resid  8 and name c  ) 1 -136.050 45.36 2
 
 
 
! psi
! 9-10 : 
assign (resid  9 and name n  ) (resid  9 and name ca  )
(resid 9 and name c ) (resid 10 and name n ) 1 148.860 32.22 2
 
 
! phi 
! 10-11 : 
assign (resid  10 and name c  ) (resid  11 and name n  )
(resid  11 and name ca  ) (resid  11 and name c  ) 1 -78.140 32.78 2
 
 
! psi
! 11-12 : 
assign (resid  11 and name n  ) (resid  11 and name ca  )
(resid 11 and name c ) (resid 12 and name n ) 1 -23.500 51.58 2
 
 
! phi 
! 11-12 : 
assign (resid  11 and name c  ) (resid  12 and name n  )
(resid  12 and name ca  ) (resid  12 and name c  ) 1 -60.520 17.14 2
 
 
! psi
! 12-13 : 
assign (resid  12 and name n  ) (resid  12 and name ca  )
(resid 12 and name c ) (resid 13 and name n ) 1 -38.180 25.36 2
 
 
! phi 
! 12-13 : 
assign (resid  12 and name c  ) (resid  13 and name n  )
(resid  13 and name ca  ) (resid  13 and name c  ) 1 -77.940 32.44 2
 
 
! psi
! 13-14 : 
assign (resid  13 and name n  ) (resid  13 and name ca  )
(resid 13 and name c ) (resid 14 and name n ) 1 -2.760 37.68 2
 
 
! phi 
! 14-15 : 
assign (resid  14 and name c  ) (resid  15 and name n  )
(resid  15 and name ca  ) (resid  15 and name c  ) 1 -79.610 31.58 2
 
 
! psi
! 15-16 : 
assign (resid  15 and name n  ) (resid  15 and name ca  )
(resid 15 and name c ) (resid 16 and name n ) 1 -17.860 36.62 2
 
 
! phi 
! 15-16 : 
assign (resid  15 and name c  ) (resid  16 and name n  )
(resid  16 and name ca  ) (resid  16 and name c  ) 1 -88.560 30.92 2
 
 
! psi
! 16-17 : 
assign (resid  16 and name n  ) (resid  16 and name ca  )
(resid 16 and name c ) (resid 17 and name n ) 1 2.600 35.56 2
 
 
! phi 
! 21-22 : 
assign (resid  21 and name c  ) (resid  22 and name n  )
(resid  22 and name ca  ) (resid  22 and name c  ) 1 -128.040 18.76 2
 
 
! psi
! 22-23 : 
assign (resid  22 and name n  ) (resid  22 and name ca  )
(resid 22 and name c ) (resid 23 and name n ) 1 149.600 27.54 2
 
 
! phi 
! 24-25 : 
assign (resid  24 and name c  ) (resid  25 and name n  )
(resid  25 and name ca  ) (resid  25 and name c  ) 1 -112.590 27.26 2
 
 
! psi
! 25-26 : 
assign (resid  25 and name n  ) (resid  25 and name ca  )
(resid 25 and name c ) (resid 26 and name n ) 1 132.890 24.14 2
 
 
! phi 
! 25-26 : 
assign (resid  25 and name c  ) (resid  26 and name n  )
(resid  26 and name ca  ) (resid  26 and name c  ) 1 -145.000 12.94 2
 
 
 
! psi
! 27-28 : 
assign (resid  27 and name n  ) (resid  27 and name ca  )
(resid 27 and name c ) (resid 28 and name n ) 1 137.720 17.73 2
 
 
! phi 
! 27-28 : 
assign (resid  27 and name c  ) (resid  28 and name n  )
(resid  28 and name ca  ) (resid  28 and name c  ) 1 -119.380 13.83 2
 
 
! psi
! 28-29 : 
assign (resid  28 and name n  ) (resid  28 and name ca  )
(resid 28 and name c ) (resid 29 and name n ) 1 131.910 10.03 2
 
 
! phi 
! 28-29 : 
assign (resid  28 and name c  ) (resid  29 and name n  )
(resid  29 and name ca  ) (resid  29 and name c  ) 1 -122.000 18.81 2
 
 
! psi
! 29-30 : 
assign (resid  29 and name n  ) (resid  29 and name ca  )
(resid 29 and name c ) (resid 30 and name n ) 1 142.350 14.24 2
 
 
! phi 
! 29-30 : 
assign (resid  29 and name c  ) (resid  30 and name n  )
(resid  30 and name ca  ) (resid  30 and name c  ) 1 -114.890 50.44 2
 
 
! psi
! 30-31 : 
assign (resid  30 and name n  ) (resid  30 and name ca  )
(resid 30 and name c ) (resid 31 and name n ) 1 129.920 32.92 2
 
 
! phi 
! 30-31 : 
assign (resid  30 and name c  ) (resid  31 and name n  )
(resid  31 and name ca  ) (resid  31 and name c  ) 1 -110.510 18.11 2
 
 
! psi
! 31-32 : 
assign (resid  31 and name n  ) (resid  31 and name ca  )
(resid 31 and name c ) (resid 32 and name n ) 1 117.850 32.05 2
 
 
! phi 
! 33-34 : 
assign (resid  33 and name c  ) (resid  34 and name n  )
(resid  34 and name ca  ) (resid  34 and name c  ) 1 -99.010 56.54 2
 
 
! psi
! 34-35 : 
assign (resid  34 and name n  ) (resid  34 and name ca  )
(resid 34 and name c ) (resid 35 and name n ) 1 145.430 28.74 2
 
 
! phi 
! 36-37 : 
assign (resid  36 and name c  ) (resid  37 and name n  )
(resid  37 and name ca  ) (resid  37 and name c  ) 1 -121.330 21.83 2
 
 
! psi
! 37-38 : 
assign (resid  37 and name n  ) (resid  37 and name ca  )
(resid 37 and name c ) (resid 38 and name n ) 1 149.980 23.9 2
 
 
! phi 
! 37-38 : 
assign (resid  37 and name c  ) (resid  38 and name n  )
(resid  38 and name ca  ) (resid  38 and name c  ) 1 -124.690 18.14 2
 
 
! psi
! 38-39 : 
assign (resid  38 and name n  ) (resid  38 and name ca  )
(resid 38 and name c ) (resid 39 and name n ) 1 148.180 18.64 2
 
 
! phi 
! 38-39 : 
assign (resid  38 and name c  ) (resid  39 and name n  )
(resid  39 and name ca  ) (resid  39 and name c  ) 1 -112.940 16.13 2
 
 
! psi
! 39-40 : 
assign (resid  39 and name n  ) (resid  39 and name ca  )
(resid 39 and name c ) (resid 40 and name n ) 1 130.390 11.83 2
 
 
! phi 
! 39-40 : 
assign (resid  39 and name c  ) (resid  40 and name n  )
(resid  40 and name ca  ) (resid  40 and name c  ) 1 -122.930 22.82 2
 
 
! psi
! 40-41 : 
assign (resid  40 and name n  ) (resid  40 and name ca  )
(resid 40 and name c ) (resid 41 and name n ) 1 129.470 15.72 2
 
 
! phi 
! 40-41 : 
assign (resid  40 and name c  ) (resid  41 and name n  )
(resid  41 and name ca  ) (resid  41 and name c  ) 1 -108.140 13.83 2
 
 
! psi
! 41-42 : 
assign (resid  41 and name n  ) (resid  41 and name ca  )
(resid 41 and name c ) (resid 42 and name n ) 1 125.310 11.33 2
 
 
! phi 
! 41-42 : 
assign (resid  41 and name c  ) (resid  42 and name n  )
(resid  42 and name ca  ) (resid  42 and name c  ) 1 -118.300 14.38 2
 
 
! psi
! 42-43 : 
assign (resid  42 and name n  ) (resid  42 and name ca  )
(resid 42 and name c ) (resid 43 and name n ) 1 141.820 16.83 2
 
 
! phi 
! 42-43 : 
assign (resid  42 and name c  ) (resid  43 and name n  )
(resid  43 and name ca  ) (resid  43 and name c  ) 1 -129.630 54.46 2
 
 
! psi
! 43-44 : 
assign (resid  43 and name n  ) (resid  43 and name ca  )
(resid 43 and name c ) (resid 44 and name n ) 1 165.940 41.68 2
 
 
! phi 
! 43-44 : 
assign (resid  43 and name c  ) (resid  44 and name n  )
(resid  44 and name ca  ) (resid  44 and name c  ) 1 -133.580 62.28 2
 
 
! psi
! 44-45 : 
assign (resid  44 and name n  ) (resid  44 and name ca  )
(resid 44 and name c ) (resid 45 and name n ) 1 159.570 26.0 2
 
 
! phi 
! 44-45 : 
assign (resid  44 and name c  ) (resid  45 and name n  )
(resid  45 and name ca  ) (resid  45 and name c  ) 1 -93.440 57.26 2
 
 
! psi
! 45-46 : 
assign (resid  45 and name n  ) (resid  45 and name ca  )
(resid 45 and name c ) (resid 46 and name n ) 1 140.710 59.1 2
 
 
! phi 
! 46-47 : 
assign (resid  46 and name c  ) (resid  47 and name n  )
(resid  47 and name ca  ) (resid  47 and name c  ) 1 -93.780 14.66 2
 
 
! psi
! 47-48 : 
assign (resid  47 and name n  ) (resid  47 and name ca  )
(resid 47 and name c ) (resid 48 and name n ) 1 132.990 30.98 2
 
 
! phi 
! 48-49 : 
assign (resid  48 and name c  ) (resid  49 and name n  )
(resid  49 and name ca  ) (resid  49 and name c  ) 1 -110.890 23.13 2
 
 
! psi
! 49-50 : 
assign (resid  49 and name n  ) (resid  49 and name ca  )
(resid 49 and name c ) (resid 50 and name n ) 1 126.300 25.3 2
 
 
! phi 
! 49-50 : 
assign (resid  49 and name c  ) (resid  50 and name n  )
(resid  50 and name ca  ) (resid  50 and name c  ) 1 -102.910 22.62 2
 
 
! psi
! 50-51 : 
assign (resid  50 and name n  ) (resid  50 and name ca  )
(resid 50 and name c ) (resid 51 and name n ) 1 137.560 14.96 2
 
 
! phi 
! 50-51 : 
assign (resid  50 and name c  ) (resid  51 and name n  )
(resid  51 and name ca  ) (resid  51 and name c  ) 1 -114.650 33.92 2
 
 
! psi
! 51-52 : 
assign (resid  51 and name n  ) (resid  51 and name ca  )
(resid 51 and name c ) (resid 52 and name n ) 1 137.670 26.84 2
 
 
! phi 
! 51-52 : 
assign (resid  51 and name c  ) (resid  52 and name n  )
(resid  52 and name ca  ) (resid  52 and name c  ) 1 -112.240 19.64 2
 
 
! psi
! 52-53 : 
assign (resid  52 and name n  ) (resid  52 and name ca  )
(resid 52 and name c ) (resid 53 and name n ) 1 126.940 10.25 2
 
 
! phi 
! 52-53 : 
assign (resid  52 and name c  ) (resid  53 and name n  )
(resid  53 and name ca  ) (resid  53 and name c  ) 1 -107.460 11.77 2
 
 
! psi
! 53-54 : 
assign (resid  53 and name n  ) (resid  53 and name ca  )
(resid 53 and name c ) (resid 54 and name n ) 1 128.610 18.21 2
 
 
! phi 
! 53-54 : 
assign (resid  53 and name c  ) (resid  54 and name n  )
(resid  54 and name ca  ) (resid  54 and name c  ) 1 -112.610 10.74 2
 
 
! psi
! 54-55 : 
assign (resid  54 and name n  ) (resid  54 and name ca  )
(resid 54 and name c ) (resid 55 and name n ) 1 130.480 14.89 2
 
 
! phi 
! 54-55 : 
assign (resid  54 and name c  ) (resid  55 and name n  )
(resid  55 and name ca  ) (resid  55 and name c  ) 1 -105.610 21.21 2
 
 
! psi
! 55-56 : 
assign (resid  55 and name n  ) (resid  55 and name ca  )
(resid 55 and name c ) (resid 56 and name n ) 1 121.110 13.91 2
 
 
! phi 
! 55-56 : 
assign (resid  55 and name c  ) (resid  56 and name n  )
(resid  56 and name ca  ) (resid  56 and name c  ) 1 -100.620 9.6 2
 
 
! psi
! 56-57 : 
assign (resid  56 and name n  ) (resid  56 and name ca  )
(resid 56 and name c ) (resid 57 and name n ) 1 119.710 19.83 2
 
 
! phi 
! 57-58 : 
assign (resid  57 and name c  ) (resid  58 and name n  )
(resid  58 and name ca  ) (resid  58 and name c  ) 1 66.170 5.75 2
 
 
! psi
! 58-59 : 
assign (resid  58 and name n  ) (resid  58 and name ca  )
(resid 58 and name c ) (resid 59 and name n ) 1 18.850 11.66 2
 
 
! phi 
! 58-59 : 
assign (resid  58 and name c  ) (resid  59 and name n  )
(resid  59 and name ca  ) (resid  59 and name c  ) 1 -121.190 25.96 2
 
 
! psi
! 59-60 : 
assign (resid  59 and name n  ) (resid  59 and name ca  )
(resid 59 and name c ) (resid 60 and name n ) 1 147.560 23.2 2
 
 
! phi 
! 59-60 : 
assign (resid  59 and name c  ) (resid  60 and name n  )
(resid  60 and name ca  ) (resid  60 and name c  ) 1 -102.350 33.08 2
 
 
! psi
! 60-61 : 
assign (resid  60 and name n  ) (resid  60 and name ca  )
(resid 60 and name c ) (resid 61 and name n ) 1 119.080 23.92 2
 
 
! phi 
! 60-61 : 
assign (resid  60 and name c  ) (resid  61 and name n  )
(resid  61 and name ca  ) (resid  61 and name c  ) 1 -105.750 13.41 2
 
 
! psi
! 61-62 : 
assign (resid  61 and name n  ) (resid  61 and name ca  )
(resid 61 and name c ) (resid 62 and name n ) 1 136.870 15.38 2
 
 
! phi 
! 61-62 : 
assign (resid  61 and name c  ) (resid  62 and name n  )
(resid  62 and name ca  ) (resid  62 and name c  ) 1 -116.970 23.84 2
 
 
! psi
! 62-63 : 
assign (resid  62 and name n  ) (resid  62 and name ca  )
(resid 62 and name c ) (resid 63 and name n ) 1 127.680 16.24 2
 
 
! phi 
! 64-65 : 
assign (resid  64 and name c  ) (resid  65 and name n  )
(resid  65 and name ca  ) (resid  65 and name c  ) 1 -130.830 28.55 2
 
 
! psi
! 65-66 : 
assign (resid  65 and name n  ) (resid  65 and name ca  )
(resid 65 and name c ) (resid 66 and name n ) 1 147.960 18.08 2
 
 
! phi 
! 65-66 : 
assign (resid  65 and name c  ) (resid  66 and name n  )
(resid  66 and name ca  ) (resid  66 and name c  ) 1 -130.540 12.91 2
 
 
! psi
! 66-67 : 
assign (resid  66 and name n  ) (resid  66 and name ca  )
(resid 66 and name c ) (resid 67 and name n ) 1 145.400 18.16 2
 
 
! phi 
! 66-67 : 
assign (resid  66 and name c  ) (resid  67 and name n  )
(resid  67 and name ca  ) (resid  67 and name c  ) 1 -122.890 12.95 2
 
 
! psi
! 67-68 : 
assign (resid  67 and name n  ) (resid  67 and name ca  )
(resid 67 and name c ) (resid 68 and name n ) 1 143.530 14.93 2
 
 
! phi 
! 68-69 : 
assign (resid  68 and name c  ) (resid  69 and name n  )
(resid  69 and name ca  ) (resid  69 and name c  ) 1 -137.840 13.91 2
 
 
! psi
! 69-70 : 
assign (resid  69 and name n  ) (resid  69 and name ca  )
(resid 69 and name c ) (resid 70 and name n ) 1 166.250 9.51 2
 
 
! phi 
! 71-72 : 
assign (resid  71 and name c  ) (resid  72 and name n  )
(resid  72 and name ca  ) (resid  72 and name c  ) 1 -94.770 25.1 2
 
 
! psi
! 72-73 : 
assign (resid  72 and name n  ) (resid  72 and name ca  )
(resid 72 and name c ) (resid 73 and name n ) 1 -4.230 13.72 2
 
 
! phi 
! 74-75 : 
assign (resid  74 and name c  ) (resid  75 and name n  )
(resid  75 and name ca  ) (resid  75 and name c  ) 1 -70.690 30.98 2
 
 
! psi
! 75-76 : 
assign (resid  75 and name n  ) (resid  75 and name ca  )
(resid 75 and name c ) (resid 76 and name n ) 1 -25.650 37.52 2
 
 
! phi 
! 78-79 : 
assign (resid  78 and name c  ) (resid  79 and name n  )
(resid  79 and name ca  ) (resid  79 and name c  ) 1 -110.980 49.4 2
 
 
! psi
! 79-80 : 
assign (resid  79 and name n  ) (resid  79 and name ca  )
(resid 79 and name c ) (resid 80 and name n ) 1 127.600 61.9 2
 
 
! phi 
! 79-80 : 
assign (resid  79 and name c  ) (resid  80 and name n  )
(resid  80 and name ca  ) (resid  80 and name c  ) 1 -88.100 15.07 2
 
 
! psi
! 80-81 : 
assign (resid  80 and name n  ) (resid  80 and name ca  )
(resid 80 and name c ) (resid 81 and name n ) 1 134.640 16.89 2
 
 
! phi 
! 81-82 : 
assign (resid  81 and name c  ) (resid  82 and name n  )
(resid  82 and name ca  ) (resid  82 and name c  ) 1 -111.730 50.32 2
 
 
! psi
! 82-83 : 
assign (resid  82 and name n  ) (resid  82 and name ca  )
(resid 82 and name c ) (resid 83 and name n ) 1 142.720 53.06 2
 
 
! phi 
! 82-83 : 
assign (resid  82 and name c  ) (resid  83 and name n  )
(resid  83 and name ca  ) (resid  83 and name c  ) 1 -114.620 27.47 2
 
 
! psi
! 83-84 : 
assign (resid  83 and name n  ) (resid  83 and name ca  )
(resid 83 and name c ) (resid 84 and name n ) 1 133.400 21.89 2
 
 
! phi 
! 83-84 : 
assign (resid  83 and name c  ) (resid  84 and name n  )
(resid  84 and name ca  ) (resid  84 and name c  ) 1 -110.930 21.02 2
 
 
! psi
! 84-85 : 
assign (resid  84 and name n  ) (resid  84 and name ca  )
(resid 84 and name c ) (resid 85 and name n ) 1 127.490 21.47 2
 
 
! phi 
! 84-85 : 
assign (resid  84 and name c  ) (resid  85 and name n  )
(resid  85 and name ca  ) (resid  85 and name c  ) 1 -95.070 24.86 2
 
 
! psi
! 85-86 : 
assign (resid  85 and name n  ) (resid  85 and name ca  )
(resid 85 and name c ) (resid 86 and name n ) 1 133.280 30.85 2
 
 
! phi 
! 89-90 : 
assign (resid  89 and name c  ) (resid  90 and name n  )
(resid  90 and name ca  ) (resid  90 and name c  ) 1 -100.540 24.86 2
 
 
! psi
! 90-91 : 
assign (resid  90 and name n  ) (resid  90 and name ca  )
(resid 90 and name c ) (resid 91 and name n ) 1 131.660 20.03 2
 
 
! phi 
! 90-91 : 
assign (resid  90 and name c  ) (resid  91 and name n  )
(resid  91 and name ca  ) (resid  91 and name c  ) 1 -129.760 53.92 2
 
 
! psi
! 91-92 : 
assign (resid  91 and name n  ) (resid  91 and name ca  )
(resid 91 and name c ) (resid 92 and name n ) 1 144.910 54.66 2
 
 
! phi 
! 91-92 : 
assign (resid  91 and name c  ) (resid  92 and name n  )
(resid  92 and name ca  ) (resid  92 and name c  ) 1 -110.340 36.46 2
 
 
! psi
! 92-93 : 
assign (resid  92 and name n  ) (resid  92 and name ca  )
(resid 92 and name c ) (resid 93 and name n ) 1 146.000 45.62 2
 
 
! phi 
! 92-93 : 
assign (resid  92 and name c  ) (resid  93 and name n  )
(resid  93 and name ca  ) (resid  93 and name c  ) 1 -87.660 30.86 2
 
 
! psi
! 93-94 : 
assign (resid  93 and name n  ) (resid  93 and name ca  )
(resid 93 and name c ) (resid 94 and name n ) 1 117.580 59.5 2
 
 
! phi 
! 94-95 : 
assign (resid  94 and name c  ) (resid  95 and name n  )
(resid  95 and name ca  ) (resid  95 and name c  ) 1 -131.260 62.68 2
 
 
! psi
! 95-96 : 
assign (resid  95 and name n  ) (resid  95 and name ca  )
(resid 95 and name c ) (resid 96 and name n ) 1 156.230 16.98 2
 
 
! phi 
! 95-96 : 
assign (resid  95 and name c  ) (resid  96 and name n  )
(resid  96 and name ca  ) (resid  96 and name c  ) 1 -95.190 17.9 2
 
 
! psi
! 96-97 : 
assign (resid  96 and name n  ) (resid  96 and name ca  )
(resid 96 and name c ) (resid 97 and name n ) 1 106.420 23.13 2
 
assign (resid 29 and name O ) (resid  39 and name HN ) 2.2 0.4 0.0
assign (resid 29 and name O ) (resid  39 and name N ) 3.3 1.1 0.0
assign (resid 27 and name O ) (resid  41 and name HN ) 2.2 0.4 0.0
assign (resid 27 and name O ) (resid  41 and name N ) 3.3 1.1 0.0
assign (resid 41 and name O ) (resid  27 and name HN ) 2.2 0.4 0.0
assign (resid 41 and name O ) (resid  27 and name N ) 3.3 1.1 0.0
assign (resid 25 and name O ) (resid 43 and name HN ) 2.9 1.1 0.0
assign (resid 25 and name O ) (resid 43 and name N ) 3.8 1.6 0.0
assign (resid 38 and name O ) (resid 53 and name HN ) 2.2 0.4 0.0
assign (resid 38 and name O ) (resid 53 and name N ) 3.3 1.1 0.0
assign (resid 53 and name O ) (resid 38 and name HN ) 2.2 0.4 0.0
assign (resid 53 and name O ) (resid 38 and name N ) 3.3 1.1 0.0
assign (resid 40 and name O ) (resid 51 and name HN ) 3.7 1.9 0.0
assign (resid 40 and name O ) (resid 51 and name N ) 3.3 1.1 0.0
assign (resid 51 and name O ) (resid 40 and name HN ) 2.2 0.4 0.0
assign (resid 51 and name O ) (resid 40 and name N ) 3.3 1.1 0.0
assign (resid 42 and name O ) (resid 49 and name HN ) 3.7 1.9 0.0
assign (resid 42 and name O ) (resid 49 and name N ) 3.3 1.1 0.0
assign (resid 49 and name O ) (resid 42 and name HN ) 3.3 1.5 0.0
assign (resid 49 and name O ) (resid 42 and name N ) 3.3 1.1 0.0
assign (resid 85 and name O ) (resid 89 and name HN ) 2.2 0.4 0.0
assign (resid 85 and name O ) (resid 89 and name N ) 3.3 1.1 0.0
assign (resid 89 and name O ) (resid 85 and name HN ) 2.2 0.4 0.0
assign (resid 89 and name O ) (resid 85 and name N ) 3.3 1.1 0.0
assign (resid 83 and name O ) (resid 91 and name HN ) 2.2 0.4 0.0
assign (resid 83 and name O ) (resid 91 and name N ) 3.3 1.1 0.0
assign (resid 91 and name O ) (resid 83 and name HN ) 2.5 0.7 0.0
assign (resid 91 and name O ) (resid 83 and name N ) 3.3 1.1 0.0
assign (resid 13 and name O ) (resid 17 and name HN ) 2.8 1.0 0.0
assign (resid 13 and name O ) (resid 17 and name N ) 3.3 1.1 0.0
assign (resid 11 and name O ) (resid 15 and name HN ) 2.2 0.4 0.0
assign (resid 11 and name O ) (resid 15 and name N ) 3.3 1.1 0.0
assign (resid 56 and name O ) (resid 59 and name HN ) 2.2 0.4 0.0
assign (resid 56 and name O ) (resid 59 and name N ) 3.3 1.1 0.0
assign (resid 54 and name O ) (resid 61 and name HN ) 2.2 0.4 0.0
assign (resid 54 and name O ) (resid 61 and name N ) 3.3 1.1 0.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1HT       ARG   1   8.074   4.276  12.827
    2   2H    ARG   1          2HT       ARG   1   8.614   3.473  14.245
    3   3H    ARG   1          3HT       ARG   1   9.500   3.327  12.782
    4    HA   ARG   1           HA       ARG   1   9.160   5.707  14.473
    5   1HB   ARG   1          2HB       ARG   1  10.833   3.831  14.996
    6   2HB   ARG   1          1HB       ARG   1  11.681   4.341  13.543
    7   1HG   ARG   1          2HG       ARG   1  11.609   6.693  14.651
    8   2HG   ARG   1          1HG       ARG   1  11.335   5.776  16.133
    9   1HD   ARG   1          2HD       ARG   1  13.382   4.526  15.768
   10   2HD   ARG   1          1HD       ARG   1  13.641   5.357  14.235
   11    HE   ARG   1           HE       ARG   1  13.427   7.236  16.332
   12   1HH1  ARG   1          1HH1      ARG   1  15.613   4.845  15.034
   13   2HH1  ARG   1          2HH1      ARG   1  17.033   5.644  15.621
   14   1HH2  ARG   1          1HH2      ARG   1  15.293   8.287  17.105
   15   2HH2  ARG   1          2HH2      ARG   1  16.852   7.597  16.798
   16    H    GLU   2           H        GLU   2  10.613   4.450  11.471
   17    HA   GLU   2           HA       GLU   2  10.404   7.167  10.351
   18   1HB   GLU   2          2HB       GLU   2  12.561   5.191   9.616
   19   2HB   GLU   2          1HB       GLU   2  12.469   6.894   9.189
   20   1HG   GLU   2          2HG       GLU   2  12.433   6.980  11.920
   21   2HG   GLU   2          1HG       GLU   2  13.496   5.611  11.598
   22    H    TRP   3           H        TRP   3   8.530   4.926  10.204
   23    HA   TRP   3           HA       TRP   3   8.720   4.158   7.381
   24   1HB   TRP   3          2HB       TRP   3   6.647   3.155   9.324
   25   2HB   TRP   3          1HB       TRP   3   7.218   2.397   7.834
   26    HD1  TRP   3           HD       TRP   3  10.398   3.012   8.896
   27    HE1  TRP   3           1HE      TRP   3  11.372   1.262  10.513
   28    HE3  TRP   3           3HE      TRP   3   6.042   0.841  10.463
   29    HZ2  TRP   3           2HZ      TRP   3  10.419  -0.770  12.226
   30    HZ3  TRP   3           3HZ      TRP   3   6.161  -1.000  12.091
   31    HH2  TRP   3           HH       TRP   3   8.305  -1.788  12.953
   32    H    TYR   4           H        TYR   4   6.193   5.234   9.657
   33    HA   TYR   4           HA       TYR   4   4.819   6.519   7.400
   34   1HB   TYR   4          2HB       TYR   4   2.929   6.665   9.224
   35   2HB   TYR   4          1HB       TYR   4   3.219   5.158   8.357
   36    HD1  TYR   4           1HD      TYR   4   3.631   6.908  11.568
   37    HD2  TYR   4           2HD      TYR   4   4.077   3.221   9.492
   38    HE1  TYR   4           1HE      TYR   4   3.945   5.745  13.712
   39    HE2  TYR   4           2HE      TYR   4   4.392   2.048  11.630
   40    HH   TYR   4           HH       TYR   4   3.898   2.333  13.977
   41    H    TYR   5           H        TYR   5   5.626   8.520   7.205
   42    HA   TYR   5           HA       TYR   5   5.768  10.204   9.617
   43   1HB   TYR   5          2HB       TYR   5   7.892   9.827   8.309
   44   2HB   TYR   5          1HB       TYR   5   7.144  10.693   6.971
   45    HD1  TYR   5           1HD      TYR   5   8.310  12.687   6.760
   46    HD2  TYR   5           2HD      TYR   5   7.098  11.410  10.633
   47    HE1  TYR   5           1HE      TYR   5   9.093  14.819   7.702
   48    HE2  TYR   5           2HE      TYR   5   7.877  13.539  11.585
   49    HH   TYR   5           HH       TYR   5   8.563  16.230   9.756
   50    H    GLY   6           H        GLY   6   4.132   9.702   6.666
   51   1HA   GLY   6          2HA       GLY   6   1.978  11.080   6.744
   52   2HA   GLY   6          1HA       GLY   6   3.068  12.451   6.654
   53    H    ASN   7           H        ASN   7   4.840  10.782   4.928
   54    HA   ASN   7           HA       ASN   7   3.367  10.321   2.501
   55   1HB   ASN   7          2HB       ASN   7   5.333  12.619   2.661
   56   2HB   ASN   7          1HB       ASN   7   4.649  11.982   1.168
   57   1HD2  ASN   7          1HD2      ASN   7   4.401  14.406   3.305
   58   2HD2  ASN   7          2HD2      ASN   7   2.735  14.822   3.110
   59    H    VAL   8           H        VAL   8   4.244   8.387   2.049
   60    HA   VAL   8           HA       VAL   8   7.093   8.237   1.599
   61    HB   VAL   8           HB       VAL   8   6.658   5.832   2.905
   62   1HG1  VAL   8          1HG1      VAL   8   8.539   7.733   2.876
   63   2HG1  VAL   8          2HG1      VAL   8   8.491   6.442   4.076
   64   3HG1  VAL   8          3HG1      VAL   8   7.846   8.035   4.469
   65   1HG2  VAL   8          1HG2      VAL   8   5.756   7.915   4.844
   66   2HG2  VAL   8          2HG2      VAL   8   5.560   6.163   4.902
   67   3HG2  VAL   8          3HG2      VAL   8   4.569   7.125   3.805
   68    H    THR   9           H        THR   9   6.251   8.071  -0.608
   69    HA   THR   9           HA       THR   9   6.466   5.565  -1.626
   70    HB   THR   9           HB       THR   9   3.845   5.857  -0.619
   71    HG1  THR   9           1HG      THR   9   3.702   3.714  -1.360
   72   1HG2  THR   9          1HG2      THR   9   3.363   6.871  -2.904
   73   2HG2  THR   9          2HG2      THR   9   2.398   5.478  -2.417
   74   3HG2  THR   9          3HG2      THR   9   3.731   5.273  -3.553
   75    H    ARG  10           H        ARG  10   5.727   5.400  -3.968
   76    HA   ARG  10           HA       ARG  10   5.810   6.182  -6.091
   77   1HB   ARG  10          2HB       ARG  10   3.985   7.609  -5.794
   78   2HB   ARG  10          1HB       ARG  10   4.845   8.620  -4.653
   79   1HG   ARG  10          2HG       ARG  10   4.406   9.633  -6.919
   80   2HG   ARG  10          1HG       ARG  10   6.085   9.675  -6.370
   81   1HD   ARG  10          2HD       ARG  10   6.751   8.515  -8.143
   82   2HD   ARG  10          1HD       ARG  10   5.583   7.239  -7.805
   83    HE   ARG  10           HE       ARG  10   4.411   9.537  -9.058
   84   1HH1  ARG  10          1HH1      ARG  10   6.131   6.555  -9.629
   85   2HH1  ARG  10          2HH1      ARG  10   5.544   6.379 -11.248
   86   1HH2  ARG  10          1HH2      ARG  10   3.637   9.307 -11.191
   87   2HH2  ARG  10          2HH2      ARG  10   4.130   7.942 -12.135
   88    H    HIS  11           H        HIS  11   7.168   8.591  -3.861
   89    HA   HIS  11           HA       HIS  11   9.629   8.624  -5.480
   90   1HB   HIS  11          2HB       HIS  11   9.158  10.754  -3.457
   91   2HB   HIS  11          1HB       HIS  11   9.925  10.858  -5.037
   92    HD1  HIS  11           1HD      HIS  11   6.501  10.794  -3.446
   93    HD2  HIS  11           2HD      HIS  11   8.303  11.761  -7.063
   94    HE1  HIS  11           1HE      HIS  11   4.709  11.912  -4.811
   95    HE2  HIS  11           2HE      HIS  11   5.806  12.433  -7.019
   96    H    GLN  12           H        GLN  12   8.337   8.756  -2.188
   97    HA   GLN  12           HA       GLN  12  10.858   8.245  -0.941
   98   1HB   GLN  12          2HB       GLN  12   8.137   7.788   0.269
   99   2HB   GLN  12          1HB       GLN  12   9.647   8.146   1.108
  100   1HG   GLN  12          2HG       GLN  12   8.587  10.137  -0.832
  101   2HG   GLN  12          1HG       GLN  12   7.803   9.982   0.741
  102   1HE2  GLN  12          1HE2      GLN  12   9.536  12.081  -0.572
  103   2HE2  GLN  12          2HE2      GLN  12  10.755  12.420   0.604
  104    H    ALA  13           H        ALA  13   8.035   6.301  -1.853
  105    HA   ALA  13           HA       ALA  13   8.690   3.899  -0.634
  106   1HB   ALA  13          1HB       ALA  13   7.159   4.618  -3.064
  107   2HB   ALA  13          2HB       ALA  13   6.661   3.718  -1.631
  108   3HB   ALA  13          3HB       ALA  13   7.633   2.932  -2.872
  109    H    GLU  14           H        GLU  14   9.899   5.245  -3.679
  110    HA   GLU  14           HA       GLU  14  11.511   2.945  -4.251
  111   1HB   GLU  14          2HB       GLU  14  12.775   4.860  -5.672
  112   2HB   GLU  14          1HB       GLU  14  11.368   3.991  -6.251
  113   1HG   GLU  14          2HG       GLU  14   9.982   5.880  -5.294
  114   2HG   GLU  14          1HG       GLU  14  11.504   6.739  -5.070
  115    H    CYS  15           H        CYS  15  11.839   5.955  -2.549
  116    HA   CYS  15           HA       CYS  15  14.643   5.868  -2.156
  117   1HB   CYS  15          2HB       CYS  15  12.940   7.791  -1.702
  118   2HB   CYS  15          1HB       CYS  15  12.758   7.028  -0.126
  119    HG   CYS  15           HG       CYS  15  15.047   7.774   0.535
  120    H    ALA  16           H        ALA  16  12.156   3.875  -0.988
  121    HA   ALA  16           HA       ALA  16  13.793   2.968   1.293
  122   1HB   ALA  16          1HB       ALA  16  11.877   2.396   2.426
  123   2HB   ALA  16          2HB       ALA  16  10.933   2.211   0.947
  124   3HB   ALA  16          3HB       ALA  16  11.340   3.822   1.537
  125    H    LEU  17           H        LEU  17  12.019   1.967  -1.560
  126    HA   LEU  17           HA       LEU  17  13.041  -0.770  -1.228
  127   1HB   LEU  17          2HB       LEU  17  10.998  -0.239  -3.297
  128   2HB   LEU  17          1HB       LEU  17  11.169  -1.607  -2.200
  129    HG   LEU  17           HG       LEU  17  10.187   1.085  -1.320
  130   1HD1  LEU  17          1HD1      LEU  17   8.791  -0.171  -3.093
  131   2HD1  LEU  17          2HD1      LEU  17   8.006   0.502  -1.665
  132   3HD1  LEU  17          3HD1      LEU  17   8.370  -1.220  -1.739
  133   1HD2  LEU  17          1HD2      LEU  17  10.539  -1.559  -0.052
  134   2HD2  LEU  17          2HD2      LEU  17   9.152  -0.581   0.432
  135   3HD2  LEU  17          3HD2      LEU  17  10.788   0.058   0.608
  136    H    ASN  18           H        ASN  18  14.178   1.813  -2.390
  137    HA   ASN  18           HA       ASN  18  14.552   2.113  -4.977
  138   1HB   ASN  18          2HB       ASN  18  17.184   1.729  -3.781
  139   2HB   ASN  18          1HB       ASN  18  16.437   3.183  -4.407
  140   1HD2  ASN  18          1HD2      ASN  18  16.397   1.039  -1.602
  141   2HD2  ASN  18          2HD2      ASN  18  16.147   2.287  -0.434
  142    H    GLU  19           H        GLU  19  15.833  -0.546  -3.110
  143    HA   GLU  19           HA       GLU  19  17.514  -1.864  -4.774
  144   1HB   GLU  19          2HB       GLU  19  15.471  -2.807  -2.837
  145   2HB   GLU  19          1HB       GLU  19  16.165  -4.013  -3.913
  146   1HG   GLU  19          2HG       GLU  19  17.881  -2.158  -2.303
  147   2HG   GLU  19          1HG       GLU  19  17.265  -3.671  -1.641
  148    H    ARG  20           H        ARG  20  14.054  -1.591  -5.148
  149    HA   ARG  20           HA       ARG  20  12.806  -1.711  -7.070
  150   1HB   ARG  20          2HB       ARG  20  15.128  -1.516  -8.252
  151   2HB   ARG  20          1HB       ARG  20  14.941  -3.244  -8.511
  152   1HG   ARG  20          2HG       ARG  20  14.151  -2.163 -10.458
  153   2HG   ARG  20          1HG       ARG  20  12.731  -2.745  -9.588
  154   1HD   ARG  20          2HD       ARG  20  12.037  -0.625 -10.064
  155   2HD   ARG  20          1HD       ARG  20  12.837  -0.330  -8.521
  156    HE   ARG  20           HE       ARG  20  14.277   1.028  -9.636
  157   1HH1  ARG  20          1HH1      ARG  20  13.045  -1.319 -11.907
  158   2HH1  ARG  20          2HH1      ARG  20  13.891  -0.641 -13.257
  159   1HH2  ARG  20          1HH2      ARG  20  15.388   1.922 -11.412
  160   2HH2  ARG  20          2HH2      ARG  20  15.221   1.198 -12.977
  161    H    GLY  21           H        GLY  21  11.811  -3.199  -5.423
  162   1HA   GLY  21          2HA       GLY  21  10.417  -5.105  -5.484
  163   2HA   GLY  21          1HA       GLY  21  11.450  -5.797  -6.722
  164    H    VAL  22           H        VAL  22  11.689  -4.769  -3.319
  165    HA   VAL  22           HA       VAL  22  13.226  -7.230  -2.803
  166    HB   VAL  22           HB       VAL  22  13.969  -5.754  -0.718
  167   1HG1  VAL  22          1HG1      VAL  22  15.138  -5.656  -3.487
  168   2HG1  VAL  22          2HG1      VAL  22  15.530  -6.787  -2.193
  169   3HG1  VAL  22          3HG1      VAL  22  15.974  -5.087  -2.043
  170   1HG2  VAL  22          1HG2      VAL  22  12.542  -3.841  -1.513
  171   2HG2  VAL  22          2HG2      VAL  22  13.670  -3.659  -2.856
  172   3HG2  VAL  22          3HG2      VAL  22  14.231  -3.445  -1.198
  173    H    GLU  23           H        GLU  23  12.250  -8.654  -1.545
  174    HA   GLU  23           HA       GLU  23  10.702  -9.616  -0.174
  175   1HB   GLU  23          2HB       GLU  23  12.291  -7.845   1.276
  176   2HB   GLU  23          1HB       GLU  23  10.656  -7.515   1.830
  177   1HG   GLU  23          2HG       GLU  23  11.761  -9.185   3.216
  178   2HG   GLU  23          1HG       GLU  23  10.349  -9.852   2.396
  179    H    GLY  24           H        GLY  24   8.755  -8.850   1.478
  180   1HA   GLY  24          2HA       GLY  24   6.825  -7.665  -0.354
  181   2HA   GLY  24          1HA       GLY  24   6.464  -8.476   1.167
  182    H    ASP  25           H        ASP  25   8.288  -5.600   0.102
  183    HA   ASP  25           HA       ASP  25   7.514  -4.179   2.504
  184   1HB   ASP  25          2HB       ASP  25   9.711  -4.072   0.822
  185   2HB   ASP  25          1HB       ASP  25   8.829  -2.602   0.424
  186    H    PHE  26           H        PHE  26   5.656  -3.130   2.656
  187    HA   PHE  26           HA       PHE  26   4.545  -1.793   0.271
  188   1HB   PHE  26          2HB       PHE  26   3.412  -3.991   1.535
  189   2HB   PHE  26          1HB       PHE  26   2.527  -2.645   2.205
  190    HD1  PHE  26           1HD      PHE  26   2.863  -1.021  -0.492
  191    HD2  PHE  26           2HD      PHE  26   1.407  -4.888   0.490
  192    HE1  PHE  26           1HE      PHE  26   1.406  -0.974  -2.477
  193    HE2  PHE  26           2HE      PHE  26  -0.058  -4.852  -1.482
  194    HZ   PHE  26           HZ       PHE  26  -0.061  -2.890  -2.973
  195    H    LEU  27           H        LEU  27   3.888   0.231   0.594
  196    HA   LEU  27           HA       LEU  27   3.523   1.172   3.349
  197   1HB   LEU  27          2HB       LEU  27   4.830   3.318   2.433
  198   2HB   LEU  27          1HB       LEU  27   5.606   2.010   3.308
  199    HG   LEU  27           HG       LEU  27   5.502   2.013   0.304
  200   1HD1  LEU  27          1HD1      LEU  27   6.735   3.863   0.294
  201   2HD1  LEU  27          2HD1      LEU  27   8.025   2.866   0.963
  202   3HD1  LEU  27          3HD1      LEU  27   6.991   3.809   2.037
  203   1HD2  LEU  27          1HD2      LEU  27   6.395   0.006   0.730
  204   2HD2  LEU  27          2HD2      LEU  27   6.737   0.412   2.411
  205   3HD2  LEU  27          3HD2      LEU  27   7.857   0.902   1.141
  206    H    ILE  28           H        ILE  28   1.938   2.565   3.631
  207    HA   ILE  28           HA       ILE  28   0.627   3.702   1.252
  208    HB   ILE  28           HB       ILE  28  -0.828   3.427   3.849
  209   1HG1  ILE  28          2HG1      ILE  28   0.172   1.229   2.189
  210   2HG1  ILE  28          1HG1      ILE  28  -0.379   1.210   3.863
  211   1HG2  ILE  28          1HG2      ILE  28  -1.885   2.933   1.082
  212   2HG2  ILE  28          2HG2      ILE  28  -1.707   4.568   1.718
  213   3HG2  ILE  28          3HG2      ILE  28  -2.760   3.413   2.535
  214   1HD1  ILE  28          1HD1      ILE  28  -2.025   1.026   1.365
  215   2HD1  ILE  28          2HD1      ILE  28  -2.724   1.338   2.948
  216   3HD1  ILE  28          3HD1      ILE  28  -1.859  -0.165   2.648
  217    H    ARG  29           H        ARG  29   0.148   5.875   1.237
  218    HA   ARG  29           HA       ARG  29   0.765   7.424   3.644
  219   1HB   ARG  29          2HB       ARG  29   1.856   9.015   1.712
  220   2HB   ARG  29          1HB       ARG  29   2.762   7.943   2.776
  221   1HG   ARG  29          2HG       ARG  29   3.230   6.466   1.132
  222   2HG   ARG  29          1HG       ARG  29   1.697   6.727   0.297
  223   1HD   ARG  29          2HD       ARG  29   4.213   8.386   0.178
  224   2HD   ARG  29          1HD       ARG  29   3.379   7.586  -1.139
  225    HE   ARG  29           HE       ARG  29   1.577   9.403  -0.129
  226   1HH1  ARG  29          1HH1      ARG  29   4.759   9.521  -1.553
  227   2HH1  ARG  29          2HH1      ARG  29   4.538  11.103  -2.220
  228   1HH2  ARG  29          1HH2      ARG  29   1.282  11.482  -1.007
  229   2HH2  ARG  29          2HH2      ARG  29   2.563  12.217  -1.910
  230    H    ASP  30           H        ASP  30  -0.135   9.517   3.709
  231    HA   ASP  30           HA       ASP  30  -2.621   9.732   2.261
  232   1HB   ASP  30          2HB       ASP  30  -2.083  10.374   4.754
  233   2HB   ASP  30          1HB       ASP  30  -1.574  11.900   4.041
  234    H    SER  31           H        SER  31  -3.218  11.403   0.868
  235    HA   SER  31           HA       SER  31  -0.958  12.691  -0.480
  236   1HB   SER  31          2HB       SER  31  -2.904  11.259  -1.605
  237   2HB   SER  31          1HB       SER  31  -3.722  12.822  -1.593
  238    HG   SER  31           HG       SER  31  -1.697  13.615  -2.601
  239    H    GLU  32           H        GLU  32  -0.532  14.521   0.659
  240    HA   GLU  32           HA       GLU  32  -2.147  16.195   2.050
  241   1HB   GLU  32          2HB       GLU  32   0.225  16.836   0.309
  242   2HB   GLU  32          1HB       GLU  32  -0.573  18.067   1.277
  243   1HG   GLU  32          2HG       GLU  32  -0.120  16.748   3.297
  244   2HG   GLU  32          1HG       GLU  32   0.723  15.555   2.311
  245    H    SER  33           H        SER  33  -1.919  15.970  -1.433
  246    HA   SER  33           HA       SER  33  -3.181  18.359  -2.150
  247   1HB   SER  33          2HB       SER  33  -2.017  16.770  -3.713
  248   2HB   SER  33          1HB       SER  33  -3.429  15.719  -3.607
  249    HG   SER  33           HG       SER  33  -4.638  17.218  -4.640
  250    H    SER  34           H        SER  34  -4.502  15.253  -1.163
  251    HA   SER  34           HA       SER  34  -7.194  16.454  -1.200
  252   1HB   SER  34          2HB       SER  34  -6.231  13.951  -2.292
  253   2HB   SER  34          1HB       SER  34  -7.508  13.666  -1.110
  254    HG   SER  34           HG       SER  34  -8.907  14.787  -2.324
  255    HA   PRO  35           HA       PRO  35  -7.378  15.669   3.137
  256   1HB   PRO  35          2HB       PRO  35 -10.025  15.495   3.553
  257   2HB   PRO  35          1HB       PRO  35  -9.258  17.010   3.061
  258   1HG   PRO  35          2HG       PRO  35 -10.755  15.019   1.402
  259   2HG   PRO  35          1HG       PRO  35 -10.835  16.790   1.367
  260   1HD   PRO  35          2HD       PRO  35  -9.382  15.293  -0.409
  261   2HD   PRO  35          1HD       PRO  35  -8.985  16.966   0.029
  262    H    SER  36           H        SER  36  -9.016  13.397   1.011
  263    HA   SER  36           HA       SER  36  -8.524  11.288   3.004
  264   1HB   SER  36          2HB       SER  36 -11.034  12.147   2.354
  265   2HB   SER  36          1HB       SER  36 -10.812  10.827   1.207
  266    HG   SER  36           HG       SER  36 -10.424  10.644   4.013
  267    H    ASP  37           H        ASP  37  -6.642  11.796   1.147
  268    HA   ASP  37           HA       ASP  37  -7.030   9.695  -0.885
  269   1HB   ASP  37          2HB       ASP  37  -5.721  12.353  -0.977
  270   2HB   ASP  37          1HB       ASP  37  -4.889  11.046  -1.829
  271    H    PHE  38           H        PHE  38  -5.674   7.993  -0.906
  272    HA   PHE  38           HA       PHE  38  -3.194   8.138   0.642
  273   1HB   PHE  38          2HB       PHE  38  -5.414   6.138   1.022
  274   2HB   PHE  38          1HB       PHE  38  -3.750   5.778   1.495
  275    HD1  PHE  38           1HD      PHE  38  -6.827   7.155   2.528
  276    HD2  PHE  38           2HD      PHE  38  -2.622   7.521   3.058
  277    HE1  PHE  38           1HE      PHE  38  -7.201   8.290   4.679
  278    HE2  PHE  38           2HE      PHE  38  -2.987   8.657   5.210
  279    HZ   PHE  38           HZ       PHE  38  -5.279   9.043   6.023
  280    H    SER  39           H        SER  39  -1.520   6.926  -0.160
  281    HA   SER  39           HA       SER  39  -2.068   5.240  -2.515
  282   1HB   SER  39          2HB       SER  39  -0.747   7.707  -2.564
  283   2HB   SER  39          1HB       SER  39   0.539   6.498  -2.619
  284    HG   SER  39           HG       SER  39  -0.190   5.778  -4.511
  285    H    VAL  40           H        VAL  40  -0.812   3.375  -2.706
  286    HA   VAL  40           HA       VAL  40   1.367   3.013  -0.822
  287    HB   VAL  40           HB       VAL  40  -0.312   2.172   0.554
  288   1HG1  VAL  40          1HG1      VAL  40  -2.262   1.962  -0.591
  289   2HG1  VAL  40          2HG1      VAL  40  -1.822   0.260  -0.453
  290   3HG1  VAL  40          3HG1      VAL  40  -1.504   1.135  -1.951
  291   1HG2  VAL  40          1HG2      VAL  40   1.666   0.521  -0.325
  292   2HG2  VAL  40          2HG2      VAL  40   0.225  -0.469  -0.529
  293   3HG2  VAL  40          3HG2      VAL  40   0.612   0.198   1.048
  294    H    SER  41           H        SER  41   2.988   1.769  -1.531
  295    HA   SER  41           HA       SER  41   2.587   0.279  -4.049
  296   1HB   SER  41          2HB       SER  41   4.307   2.495  -3.537
  297   2HB   SER  41          1HB       SER  41   5.312   1.077  -3.834
  298    HG   SER  41           HG       SER  41   4.077   2.550  -5.617
  299    H    LEU  42           H        LEU  42   3.446  -1.744  -4.233
  300    HA   LEU  42           HA       LEU  42   4.982  -2.778  -1.934
  301   1HB   LEU  42          2HB       LEU  42   2.624  -3.720  -2.300
  302   2HB   LEU  42          1HB       LEU  42   3.273  -4.494  -3.727
  303    HG   LEU  42           HG       LEU  42   4.761  -5.823  -2.381
  304   1HD1  LEU  42          1HD1      LEU  42   5.505  -5.120  -0.416
  305   2HD1  LEU  42          2HD1      LEU  42   3.877  -5.207   0.252
  306   3HD1  LEU  42          3HD1      LEU  42   4.437  -3.725  -0.517
  307   1HD2  LEU  42          1HD2      LEU  42   2.610  -6.366  -0.610
  308   2HD2  LEU  42          2HD2      LEU  42   3.073  -7.231  -2.076
  309   3HD2  LEU  42          3HD2      LEU  42   1.927  -5.893  -2.166
  310    H    LYS  43           H        LYS  43   6.465  -4.531  -2.403
  311    HA   LYS  43           HA       LYS  43   7.753  -4.170  -5.013
  312   1HB   LYS  43          2HB       LYS  43   8.743  -5.149  -2.360
  313   2HB   LYS  43          1HB       LYS  43   9.691  -5.334  -3.820
  314   1HG   LYS  43          2HG       LYS  43   8.853  -2.798  -2.451
  315   2HG   LYS  43          1HG       LYS  43  10.486  -3.413  -2.684
  316   1HD   LYS  43          2HD       LYS  43  10.366  -1.805  -4.329
  317   2HD   LYS  43          1HD       LYS  43   9.869  -3.246  -5.220
  318   1HE   LYS  43          2HE       LYS  43   7.663  -2.619  -5.265
  319   2HE   LYS  43          1HE       LYS  43   7.805  -1.579  -3.859
  320   1HZ   LYS  43          1HZ       LYS  43   7.574  -0.501  -6.151
  321   2HZ   LYS  43          2HZ       LYS  43   9.198  -0.919  -6.375
  322   3HZ   LYS  43          3HZ       LYS  43   8.757   0.110  -5.107
  323    H    ALA  44           H        ALA  44   8.514  -5.926  -6.207
  324    HA   ALA  44           HA       ALA  44   7.624  -8.604  -5.481
  325   1HB   ALA  44          1HB       ALA  44   6.401  -6.962  -7.600
  326   2HB   ALA  44          2HB       ALA  44   5.742  -8.325  -6.697
  327   3HB   ALA  44          3HB       ALA  44   6.820  -8.611  -8.063
  328    H    SER  45           H        SER  45   8.199 -10.003  -7.693
  329    HA   SER  45           HA       SER  45  11.005 -10.063  -7.745
  330   1HB   SER  45          2HB       SER  45   9.810 -12.072  -8.262
  331   2HB   SER  45          1HB       SER  45   8.942 -11.290  -9.583
  332    HG   SER  45           HG       SER  45  10.993 -12.684  -9.931
  333    H    GLY  46           H        GLY  46  11.553  -7.852  -8.202
  334   1HA   GLY  46          2HA       GLY  46  12.506  -6.330  -9.635
  335   2HA   GLY  46          1HA       GLY  46  12.146  -7.419 -10.969
  336    H    LYS  47           H        LYS  47   9.290  -7.006  -9.428
  337    HA   LYS  47           HA       LYS  47   8.524  -4.797 -11.201
  338   1HB   LYS  47          2HB       LYS  47   7.393  -7.387 -10.678
  339   2HB   LYS  47          1HB       LYS  47   6.229  -6.143 -10.261
  340   1HG   LYS  47          2HG       LYS  47   7.637  -6.380 -12.911
  341   2HG   LYS  47          1HG       LYS  47   5.994  -6.930 -12.575
  342   1HD   LYS  47          2HD       LYS  47   6.915  -4.082 -12.228
  343   2HD   LYS  47          1HD       LYS  47   6.150  -4.693 -13.695
  344   1HE   LYS  47          2HE       LYS  47   4.303  -5.511 -12.032
  345   2HE   LYS  47          1HE       LYS  47   4.986  -4.273 -10.977
  346   1HZ   LYS  47          1HZ       LYS  47   3.094  -3.539 -12.416
  347   2HZ   LYS  47          2HZ       LYS  47   4.111  -3.724 -13.755
  348   3HZ   LYS  47          3HZ       LYS  47   4.496  -2.600 -12.551
  349    H    ASN  48           H        ASN  48   6.699  -3.441 -10.407
  350    HA   ASN  48           HA       ASN  48   6.632  -3.190  -7.483
  351   1HB   ASN  48          2HB       ASN  48   6.588  -0.646  -7.889
  352   2HB   ASN  48          1HB       ASN  48   8.142  -1.468  -8.008
  353   1HD2  ASN  48          1HD2      ASN  48   9.156  -1.624  -9.976
  354   2HD2  ASN  48          2HD2      ASN  48   8.633  -0.755 -11.376
  355    H    LYS  49           H        LYS  49   4.593  -3.473  -6.890
  356    HA   LYS  49           HA       LYS  49   2.439  -2.768  -8.733
  357   1HB   LYS  49          2HB       LYS  49   2.040  -4.125  -6.085
  358   2HB   LYS  49          1HB       LYS  49   1.059  -4.231  -7.539
  359   1HG   LYS  49          2HG       LYS  49   3.464  -5.230  -8.383
  360   2HG   LYS  49          1HG       LYS  49   3.371  -5.803  -6.717
  361   1HD   LYS  49          2HD       LYS  49   2.137  -7.476  -7.554
  362   2HD   LYS  49          1HD       LYS  49   0.838  -6.286  -7.639
  363   1HE   LYS  49          2HE       LYS  49   0.790  -6.470  -9.851
  364   2HE   LYS  49          1HE       LYS  49   2.487  -5.990  -9.943
  365   1HZ   LYS  49          1HZ       LYS  49   2.738  -8.034 -10.794
  366   2HZ   LYS  49          2HZ       LYS  49   1.296  -8.621 -10.133
  367   3HZ   LYS  49          3HZ       LYS  49   2.694  -8.547  -9.182
  368    H    HIS  50           H        HIS  50   1.770  -0.730  -8.592
  369    HA   HIS  50           HA       HIS  50   1.548   0.512  -5.936
  370   1HB   HIS  50          2HB       HIS  50   1.251   2.641  -7.402
  371   2HB   HIS  50          1HB       HIS  50   2.858   1.951  -7.214
  372    HD1  HIS  50           1HD      HIS  50   4.036   2.187  -9.372
  373    HD2  HIS  50           2HD      HIS  50   0.053   1.126  -9.898
  374    HE1  HIS  50           1HE      HIS  50   3.739   1.894 -11.853
  375    HE2  HIS  50           2HE      HIS  50   1.302   1.332 -12.153
  376    H    PHE  51           H        PHE  51  -0.373   1.417  -5.250
  377    HA   PHE  51           HA       PHE  51  -2.701   1.186  -7.011
  378   1HB   PHE  51          2HB       PHE  51  -2.671   0.089  -4.193
  379   2HB   PHE  51          1HB       PHE  51  -4.023   0.054  -5.320
  380    HD1  PHE  51           1HD      PHE  51  -3.076  -0.932  -7.761
  381    HD2  PHE  51           2HD      PHE  51  -1.785  -1.990  -3.847
  382    HE1  PHE  51           1HE      PHE  51  -2.317  -3.115  -8.606
  383    HE2  PHE  51           2HE      PHE  51  -1.023  -4.175  -4.685
  384    HZ   PHE  51           HZ       PHE  51  -1.288  -4.739  -7.067
  385    H    LYS  52           H        LYS  52  -4.443   2.537  -6.476
  386    HA   LYS  52           HA       LYS  52  -3.698   4.764  -4.714
  387   1HB   LYS  52          2HB       LYS  52  -4.357   4.993  -7.251
  388   2HB   LYS  52          1HB       LYS  52  -5.997   4.892  -6.624
  389   1HG   LYS  52          2HG       LYS  52  -5.501   6.807  -5.137
  390   2HG   LYS  52          1HG       LYS  52  -3.913   6.939  -5.894
  391   1HD   LYS  52          2HD       LYS  52  -4.953   7.352  -8.053
  392   2HD   LYS  52          1HD       LYS  52  -6.554   7.150  -7.340
  393   1HE   LYS  52          2HE       LYS  52  -5.755   9.050  -5.733
  394   2HE   LYS  52          1HE       LYS  52  -4.600   9.386  -7.023
  395   1HZ   LYS  52          1HZ       LYS  52  -7.364   9.046  -7.848
  396   2HZ   LYS  52          2HZ       LYS  52  -6.205  10.157  -8.377
  397   3HZ   LYS  52          3HZ       LYS  52  -7.039  10.430  -6.931
  398    H    VAL  53           H        VAL  53  -4.933   5.360  -3.021
  399    HA   VAL  53           HA       VAL  53  -7.346   3.757  -2.472
  400    HB   VAL  53           HB       VAL  53  -5.355   4.899  -0.500
  401   1HG1  VAL  53          1HG1      VAL  53  -7.169   4.925   0.837
  402   2HG1  VAL  53          2HG1      VAL  53  -6.828   3.200   0.964
  403   3HG1  VAL  53          3HG1      VAL  53  -8.061   3.776  -0.158
  404   1HG2  VAL  53          1HG2      VAL  53  -5.751   2.052  -0.371
  405   2HG2  VAL  53          2HG2      VAL  53  -4.263   2.969  -0.604
  406   3HG2  VAL  53          3HG2      VAL  53  -5.259   2.539  -1.993
  407    H    GLN  54           H        GLN  54  -9.053   5.000  -2.857
  408    HA   GLN  54           HA       GLN  54  -9.080   7.754  -1.811
  409   1HB   GLN  54          2HB       GLN  54  -8.980   7.455  -4.367
  410   2HB   GLN  54          1HB       GLN  54 -10.645   6.905  -4.233
  411   1HG   GLN  54          2HG       GLN  54 -10.820   9.187  -2.843
  412   2HG   GLN  54          1HG       GLN  54  -9.508   9.609  -3.942
  413   1HE2  GLN  54          1HE2      GLN  54  -9.960  10.060  -6.022
  414   2HE2  GLN  54          2HE2      GLN  54 -11.542  10.011  -6.713
  415    H    LEU  55           H        LEU  55 -10.952   8.507  -0.896
  416    HA   LEU  55           HA       LEU  55 -12.771   6.471   0.066
  417   1HB   LEU  55          2HB       LEU  55 -12.448   7.714   1.895
  418   2HB   LEU  55          1HB       LEU  55 -11.770   9.037   0.969
  419    HG   LEU  55           HG       LEU  55 -13.765   9.562   2.427
  420   1HD1  LEU  55          1HD1      LEU  55 -13.834  11.360   1.160
  421   2HD1  LEU  55          2HD1      LEU  55 -14.796  10.502  -0.042
  422   3HD1  LEU  55          3HD1      LEU  55 -13.035  10.477  -0.140
  423   1HD2  LEU  55          1HD2      LEU  55 -15.789   8.673   2.106
  424   2HD2  LEU  55          2HD2      LEU  55 -14.918   7.388   1.273
  425   3HD2  LEU  55          3HD2      LEU  55 -15.639   8.705   0.350
  426    H    VAL  56           H        VAL  56 -14.436   5.962  -1.200
  427    HA   VAL  56           HA       VAL  56 -15.722   8.090  -2.772
  428    HB   VAL  56           HB       VAL  56 -14.800   5.524  -3.527
  429   1HG1  VAL  56          1HG1      VAL  56 -16.770   4.496  -4.477
  430   2HG1  VAL  56          2HG1      VAL  56 -17.784   5.782  -3.827
  431   3HG1  VAL  56          3HG1      VAL  56 -16.965   4.667  -2.735
  432   1HG2  VAL  56          1HG2      VAL  56 -16.407   7.613  -4.991
  433   2HG2  VAL  56          2HG2      VAL  56 -15.595   6.250  -5.761
  434   3HG2  VAL  56          3HG2      VAL  56 -14.650   7.479  -4.921
  435    H    ASP  57           H        ASP  57 -17.838   8.497  -2.576
  436    HA   ASP  57           HA       ASP  57 -19.751   8.750  -1.300
  437   1HB   ASP  57          2HB       ASP  57 -21.308   6.862  -1.776
  438   2HB   ASP  57          1HB       ASP  57 -20.463   7.464  -3.201
  439    H    ASN  58           H        ASN  58 -18.104   8.534   0.671
  440    HA   ASN  58           HA       ASN  58 -17.883   7.941   2.863
  441   1HB   ASN  58          2HB       ASN  58 -20.394   8.269   2.773
  442   2HB   ASN  58          1HB       ASN  58 -20.537   6.526   2.570
  443   1HD2  ASN  58          1HD2      ASN  58 -21.022   5.528   4.372
  444   2HD2  ASN  58          2HD2      ASN  58 -20.502   5.967   5.960
  445    H    VAL  59           H        VAL  59 -16.903   6.228   0.744
  446    HA   VAL  59           HA       VAL  59 -16.628   3.748   2.275
  447    HB   VAL  59           HB       VAL  59 -18.030   3.889  -0.137
  448   1HG1  VAL  59          1HG1      VAL  59 -15.430   2.462  -0.654
  449   2HG1  VAL  59          2HG1      VAL  59 -15.805   4.070  -1.273
  450   3HG1  VAL  59          3HG1      VAL  59 -16.780   2.686  -1.767
  451   1HG2  VAL  59          1HG2      VAL  59 -18.562   1.754   0.361
  452   2HG2  VAL  59          2HG2      VAL  59 -17.760   2.146   1.882
  453   3HG2  VAL  59          3HG2      VAL  59 -16.883   1.281   0.620
  454    H    TYR  60           H        TYR  60 -14.623   2.616   1.879
  455    HA   TYR  60           HA       TYR  60 -12.531   4.444   0.913
  456   1HB   TYR  60          2HB       TYR  60 -12.295   2.136   2.852
  457   2HB   TYR  60          1HB       TYR  60 -11.000   3.246   2.400
  458    HD1  TYR  60           1HD      TYR  60 -12.983   5.705   2.392
  459    HD2  TYR  60           2HD      TYR  60 -12.058   2.666   5.219
  460    HE1  TYR  60           1HE      TYR  60 -13.643   7.212   4.220
  461    HE2  TYR  60           2HE      TYR  60 -12.716   4.162   7.054
  462    HH   TYR  60           HH       TYR  60 -14.081   6.124   7.432
  463    H    CYS  61           H        CYS  61 -11.999   3.984  -1.107
  464    HA   CYS  61           HA       CYS  61 -12.029   1.222  -2.037
  465   1HB   CYS  61          2HB       CYS  61 -12.258   2.043  -4.181
  466   2HB   CYS  61          1HB       CYS  61 -13.028   3.323  -3.253
  467    HG   CYS  61           HG       CYS  61 -11.510   4.585  -4.812
  468    H    ILE  62           H        ILE  62 -10.280   0.243  -3.097
  469    HA   ILE  62           HA       ILE  62  -7.649   1.507  -2.802
  470    HB   ILE  62           HB       ILE  62  -7.899  -1.391  -2.092
  471   1HG1  ILE  62          2HG1      ILE  62  -9.524  -0.091  -0.668
  472   2HG1  ILE  62          1HG1      ILE  62  -8.254  -0.925   0.233
  473   1HG2  ILE  62          1HG2      ILE  62  -5.983  -0.178  -0.499
  474   2HG2  ILE  62          2HG2      ILE  62  -5.848   0.665  -2.041
  475   3HG2  ILE  62          3HG2      ILE  62  -5.691  -1.087  -1.979
  476   1HD1  ILE  62          1HD1      ILE  62  -7.319   1.001   0.942
  477   2HD1  ILE  62          2HD1      ILE  62  -8.959   1.601   0.689
  478   3HD1  ILE  62          3HD1      ILE  62  -7.722   1.868  -0.539
  479    H    GLY  63           H        GLY  63  -6.898   1.571  -4.825
  480   1HA   GLY  63          2HA       GLY  63  -6.052   0.743  -6.814
  481   2HA   GLY  63          1HA       GLY  63  -6.566  -0.866  -6.318
  482    H    GLN  64           H        GLN  64  -8.590  -1.625  -6.917
  483    HA   GLN  64           HA       GLN  64 -10.268   0.129  -8.554
  484   1HB   GLN  64          2HB       GLN  64  -9.481  -2.635  -9.476
  485   2HB   GLN  64          1HB       GLN  64 -10.407  -1.433 -10.366
  486   1HG   GLN  64          2HG       GLN  64  -7.547  -1.040  -9.530
  487   2HG   GLN  64          1HG       GLN  64  -8.029  -1.712 -11.087
  488   1HE2  GLN  64          1HE2      GLN  64  -9.960  -0.254 -12.015
  489   2HE2  GLN  64          2HE2      GLN  64  -9.546   1.419 -12.129
  490    H    ARG  65           H        ARG  65 -10.797  -0.637  -5.970
  491    HA   ARG  65           HA       ARG  65 -13.304  -2.003  -6.298
  492   1HB   ARG  65          2HB       ARG  65 -10.964  -3.415  -5.251
  493   2HB   ARG  65          1HB       ARG  65 -12.344  -3.457  -4.161
  494   1HG   ARG  65          2HG       ARG  65 -12.670  -4.143  -7.053
  495   2HG   ARG  65          1HG       ARG  65 -12.062  -5.335  -5.899
  496   1HD   ARG  65          2HD       ARG  65 -14.110  -5.716  -5.119
  497   2HD   ARG  65          1HD       ARG  65 -14.384  -3.996  -4.845
  498    HE   ARG  65           HE       ARG  65 -14.650  -4.788  -7.596
  499   1HH1  ARG  65          1HH1      ARG  65 -16.296  -4.483  -4.534
  500   2HH1  ARG  65          2HH1      ARG  65 -17.869  -4.375  -5.248
  501   1HH2  ARG  65          1HH2      ARG  65 -16.719  -4.647  -8.538
  502   2HH2  ARG  65          2HH2      ARG  65 -18.110  -4.471  -7.521
  503    H    ARG  66           H        ARG  66 -14.502  -2.106  -4.162
  504    HA   ARG  66           HA       ARG  66 -13.723   0.190  -2.501
  505   1HB   ARG  66          2HB       ARG  66 -16.543  -0.792  -2.850
  506   2HB   ARG  66          1HB       ARG  66 -15.986   0.765  -2.266
  507   1HG   ARG  66          2HG       ARG  66 -15.923  -0.259  -5.087
  508   2HG   ARG  66          1HG       ARG  66 -16.861   1.091  -4.448
  509   1HD   ARG  66          2HD       ARG  66 -15.037   2.490  -4.358
  510   2HD   ARG  66          1HD       ARG  66 -13.888   1.160  -4.208
  511    HE   ARG  66           HE       ARG  66 -13.737   1.089  -6.485
  512   1HH1  ARG  66          1HH1      ARG  66 -16.609   2.869  -5.617
  513   2HH1  ARG  66          2HH1      ARG  66 -16.952   3.355  -7.244
  514   1HH2  ARG  66          1HH2      ARG  66 -14.184   1.727  -8.625
  515   2HH2  ARG  66          2HH2      ARG  66 -15.574   2.708  -8.952
  516    H    PHE  67           H        PHE  67 -13.522  -0.094  -0.388
  517    HA   PHE  67           HA       PHE  67 -14.609  -2.508   0.864
  518   1HB   PHE  67          2HB       PHE  67 -11.799  -1.514   1.352
  519   2HB   PHE  67          1HB       PHE  67 -12.536  -2.997   1.957
  520    HD1  PHE  67           1HD      PHE  67 -10.353  -1.728  -0.402
  521    HD2  PHE  67           2HD      PHE  67 -13.518  -4.538  -0.011
  522    HE1  PHE  67           1HE      PHE  67  -9.518  -2.930  -2.379
  523    HE2  PHE  67           2HE      PHE  67 -12.690  -5.752  -1.985
  524    HZ   PHE  67           HZ       PHE  67 -10.688  -4.947  -3.172
  525    H    HIS  68           H        HIS  68 -14.680  -2.378   3.233
  526    HA   HIS  68           HA       HIS  68 -15.641   0.198   4.060
  527   1HB   HIS  68          2HB       HIS  68 -16.098  -0.970   6.221
  528   2HB   HIS  68          1HB       HIS  68 -16.822  -1.745   4.817
  529    HD1  HIS  68           1HD      HIS  68 -14.190  -2.230   7.426
  530    HD2  HIS  68           2HD      HIS  68 -15.815  -4.284   4.199
  531    HE1  HIS  68           1HE      HIS  68 -13.327  -4.586   7.622
  532    HE2  HIS  68           2HE      HIS  68 -14.233  -5.777   5.596
  533    H    THR  69           H        THR  69 -12.593  -0.607   3.672
  534    HA   THR  69           HA       THR  69 -11.717   0.972   5.971
  535    HB   THR  69           HB       THR  69 -11.030  -1.820   5.363
  536    HG1  THR  69           1HG      THR  69 -10.809  -1.876   7.553
  537   1HG2  THR  69          1HG2      THR  69  -8.774  -1.737   6.204
  538   2HG2  THR  69          2HG2      THR  69  -8.845   0.022   6.304
  539   3HG2  THR  69          3HG2      THR  69  -8.897  -0.775   4.731
  540    H    MET  70           H        MET  70  -9.631   2.021   5.648
  541    HA   MET  70           HA       MET  70  -8.943   2.302   2.794
  542   1HB   MET  70          2HB       MET  70 -10.124   4.246   4.214
  543   2HB   MET  70          1HB       MET  70  -8.455   4.590   4.625
  544   1HG   MET  70          2HG       MET  70  -7.921   5.258   2.532
  545   2HG   MET  70          1HG       MET  70  -9.083   4.176   1.767
  546   1HE   MET  70          1HE       MET  70 -10.216   8.039   3.951
  547   2HE   MET  70          2HE       MET  70  -9.014   6.842   4.436
  548   3HE   MET  70          3HE       MET  70 -10.732   6.511   4.665
  549    H    ASP  71           H        ASP  71  -7.445   3.628   5.733
  550    HA   ASP  71           HA       ASP  71  -4.880   2.529   4.835
  551   1HB   ASP  71          2HB       ASP  71  -5.719   4.884   6.423
  552   2HB   ASP  71          1HB       ASP  71  -4.208   4.116   6.913
  553    H    GLU  72           H        GLU  72  -7.252   1.350   6.557
  554    HA   GLU  72           HA       GLU  72  -5.650   0.443   8.836
  555   1HB   GLU  72          2HB       GLU  72  -8.604   0.292   8.234
  556   2HB   GLU  72          1HB       GLU  72  -7.866  -0.585   9.566
  557   1HG   GLU  72          2HG       GLU  72  -8.174   1.206  10.821
  558   2HG   GLU  72          1HG       GLU  72  -6.963   2.035   9.842
  559    H    LEU  73           H        LEU  73  -6.771  -0.528   5.763
  560    HA   LEU  73           HA       LEU  73  -6.840  -3.325   6.217
  561   1HB   LEU  73          2HB       LEU  73  -6.658  -3.481   3.706
  562   2HB   LEU  73          1HB       LEU  73  -8.028  -2.581   4.324
  563    HG   LEU  73           HG       LEU  73  -7.371  -0.645   3.341
  564   1HD1  LEU  73          1HD1      LEU  73  -5.392  -0.280   4.694
  565   2HD1  LEU  73          2HD1      LEU  73  -5.055   0.083   3.007
  566   3HD1  LEU  73          3HD1      LEU  73  -4.488  -1.428   3.710
  567   1HD2  LEU  73          1HD2      LEU  73  -7.246  -2.546   1.630
  568   2HD2  LEU  73          2HD2      LEU  73  -5.499  -2.314   1.708
  569   3HD2  LEU  73          3HD2      LEU  73  -6.543  -0.988   1.197
  570    H    VAL  74           H        VAL  74  -4.286  -1.163   6.038
  571    HA   VAL  74           HA       VAL  74  -2.386  -3.052   4.961
  572    HB   VAL  74           HB       VAL  74  -1.238  -0.863   6.493
  573   1HG1  VAL  74          1HG1      VAL  74   0.089  -0.557   4.517
  574   2HG1  VAL  74          2HG1      VAL  74  -1.063  -1.464   3.543
  575   3HG1  VAL  74          3HG1      VAL  74  -0.107  -2.287   4.771
  576   1HG2  VAL  74          1HG2      VAL  74  -3.231   0.359   5.910
  577   2HG2  VAL  74          2HG2      VAL  74  -3.090  -0.150   4.230
  578   3HG2  VAL  74          3HG2      VAL  74  -1.893   0.937   4.923
  579    H    GLU  75           H        GLU  75  -3.922  -2.550   7.865
  580    HA   GLU  75           HA       GLU  75  -1.754  -3.436   9.575
  581   1HB   GLU  75          2HB       GLU  75  -4.673  -2.942  10.187
  582   2HB   GLU  75          1HB       GLU  75  -3.435  -3.305  11.381
  583   1HG   GLU  75          2HG       GLU  75  -3.151  -0.957   9.553
  584   2HG   GLU  75          1HG       GLU  75  -4.142  -0.859  11.007
  585    H    HIS  76           H        HIS  76  -4.564  -4.795   7.991
  586    HA   HIS  76           HA       HIS  76  -3.697  -7.451   8.885
  587   1HB   HIS  76          2HB       HIS  76  -6.351  -6.186   9.327
  588   2HB   HIS  76          1HB       HIS  76  -6.334  -7.889   8.884
  589    HD1  HIS  76           1HD      HIS  76  -6.524  -9.267  10.916
  590    HD2  HIS  76           2HD      HIS  76  -4.200  -5.886  11.569
  591    HE1  HIS  76           1HE      HIS  76  -5.762  -9.427  13.307
  592    HE2  HIS  76           2HE      HIS  76  -4.399  -7.344  13.696
  593    H    TYR  77           H        TYR  77  -3.885  -5.644   6.320
  594    HA   TYR  77           HA       TYR  77  -4.557  -5.831   4.131
  595   1HB   TYR  77          2HB       TYR  77  -3.685  -8.330   3.452
  596   2HB   TYR  77          1HB       TYR  77  -2.668  -6.897   3.578
  597    HD1  TYR  77           1HD      TYR  77  -0.902  -6.845   5.112
  598    HD2  TYR  77           2HD      TYR  77  -3.921  -9.814   5.524
  599    HE1  TYR  77           1HE      TYR  77   0.428  -7.946   6.863
  600    HE2  TYR  77           2HE      TYR  77  -2.600 -10.923   7.277
  601    HH   TYR  77           HH       TYR  77   0.324 -10.763   7.758
  602    H    LYS  78           H        LYS  78  -6.869  -6.120   5.385
  603    HA   LYS  78           HA       LYS  78  -8.244  -8.533   5.072
  604   1HB   LYS  78          2HB       LYS  78 -10.247  -7.008   5.188
  605   2HB   LYS  78          1HB       LYS  78  -9.125  -6.868   6.521
  606   1HG   LYS  78          2HG       LYS  78  -8.645  -4.753   6.044
  607   2HG   LYS  78          1HG       LYS  78  -8.544  -5.062   4.310
  608   1HD   LYS  78          2HD       LYS  78 -11.269  -5.237   5.322
  609   2HD   LYS  78          1HD       LYS  78 -10.542  -3.654   5.600
  610   1HE   LYS  78          2HE       LYS  78 -10.004  -4.696   2.932
  611   2HE   LYS  78          1HE       LYS  78 -11.729  -4.514   3.261
  612   1HZ   LYS  78          1HZ       LYS  78 -11.533  -2.259   3.493
  613   2HZ   LYS  78          2HZ       LYS  78 -10.356  -2.545   2.312
  614   3HZ   LYS  78          3HZ       LYS  78  -9.898  -2.316   3.921
  615    H    LYS  79           H        LYS  79 -10.303  -6.539   3.425
  616    HA   LYS  79           HA       LYS  79  -9.817  -7.887   0.934
  617   1HB   LYS  79          2HB       LYS  79 -11.715  -5.623   1.601
  618   2HB   LYS  79          1HB       LYS  79 -11.711  -6.534   0.098
  619   1HG   LYS  79          2HG       LYS  79 -11.879  -8.464   2.094
  620   2HG   LYS  79          1HG       LYS  79 -12.941  -7.161   2.626
  621   1HD   LYS  79          2HD       LYS  79 -13.437  -7.469  -0.115
  622   2HD   LYS  79          1HD       LYS  79 -13.333  -9.105   0.536
  623   1HE   LYS  79          2HE       LYS  79 -15.595  -8.502   0.740
  624   2HE   LYS  79          1HE       LYS  79 -14.919  -8.316   2.358
  625   1HZ   LYS  79          1HZ       LYS  79 -14.832  -5.978   2.093
  626   2HZ   LYS  79          2HZ       LYS  79 -16.376  -6.458   1.600
  627   3HZ   LYS  79          3HZ       LYS  79 -15.204  -6.068   0.445
  628    H    ALA  80           H        ALA  80  -7.559  -6.971   1.153
  629    HA   ALA  80           HA       ALA  80  -7.277  -4.298  -0.008
  630   1HB   ALA  80          1HB       ALA  80  -5.896  -4.251   1.802
  631   2HB   ALA  80          2HB       ALA  80  -4.769  -4.908   0.616
  632   3HB   ALA  80          3HB       ALA  80  -5.585  -5.986   1.749
  633    HA   PRO  81           HA       PRO  81  -5.987  -5.711  -3.994
  634   1HB   PRO  81          2HB       PRO  81  -3.597  -4.334  -4.296
  635   2HB   PRO  81          1HB       PRO  81  -5.200  -3.675  -4.649
  636   1HG   PRO  81          2HG       PRO  81  -3.521  -3.376  -2.189
  637   2HG   PRO  81          1HG       PRO  81  -4.491  -2.154  -3.039
  638   1HD   PRO  81          2HD       PRO  81  -5.399  -3.271  -0.799
  639   2HD   PRO  81          1HD       PRO  81  -6.503  -2.972  -2.161
  640    H    ILE  82           H        ILE  82  -4.641  -6.763  -1.267
  641    HA   ILE  82           HA       ILE  82  -2.121  -7.725  -1.882
  642    HB   ILE  82           HB       ILE  82  -4.187  -9.049  -0.142
  643   1HG1  ILE  82          2HG1      ILE  82  -4.131  -7.041   0.931
  644   2HG1  ILE  82          1HG1      ILE  82  -2.784  -7.859   1.720
  645   1HG2  ILE  82          1HG2      ILE  82  -1.632  -9.850  -0.899
  646   2HG2  ILE  82          2HG2      ILE  82  -2.638 -10.540   0.373
  647   3HG2  ILE  82          3HG2      ILE  82  -1.474  -9.276   0.760
  648   1HD1  ILE  82          1HD1      ILE  82  -2.280  -6.112  -0.642
  649   2HD1  ILE  82          2HD1      ILE  82  -1.222  -6.526   0.707
  650   3HD1  ILE  82          3HD1      ILE  82  -2.566  -5.416   0.949
  651    H    PHE  83           H        PHE  83  -1.440  -9.501  -2.937
  652    HA   PHE  83           HA       PHE  83  -3.419 -11.484  -3.837
  653   1HB   PHE  83          2HB       PHE  83  -3.524 -10.054  -5.693
  654   2HB   PHE  83          1HB       PHE  83  -1.785  -9.775  -5.692
  655    HD1  PHE  83           1HD      PHE  83  -4.482 -11.950  -6.777
  656    HD2  PHE  83           2HD      PHE  83  -0.258 -11.473  -6.586
  657    HE1  PHE  83           1HE      PHE  83  -4.210 -13.706  -8.480
  658    HE2  PHE  83           2HE      PHE  83   0.022 -13.226  -8.287
  659    HZ   PHE  83           HZ       PHE  83  -1.955 -14.345  -9.237
  660    H    THR  84           H        THR  84  -2.676 -13.566  -4.072
  661    HA   THR  84           HA       THR  84   0.077 -13.997  -3.236
  662    HB   THR  84           HB       THR  84  -1.721 -16.299  -3.731
  663    HG1  THR  84           1HG      THR  84  -3.176 -15.281  -2.572
  664   1HG2  THR  84          1HG2      THR  84   0.702 -16.286  -2.777
  665   2HG2  THR  84          2HG2      THR  84  -0.524 -17.347  -2.086
  666   3HG2  THR  84          3HG2      THR  84  -0.105 -15.837  -1.276
  667    H    SER  85           H        SER  85   1.528 -15.330  -4.202
  668    HA   SER  85           HA       SER  85   1.111 -15.846  -7.073
  669   1HB   SER  85          2HB       SER  85   2.823 -14.198  -6.890
  670   2HB   SER  85          1HB       SER  85   3.563 -15.024  -5.515
  671    HG   SER  85           HG       SER  85   4.702 -16.127  -6.881
  672    H    GLU  86           H        GLU  86   1.925 -17.839  -7.887
  673    HA   GLU  86           HA       GLU  86   1.451 -20.156  -6.696
  674   1HB   GLU  86          2HB       GLU  86   2.309 -20.034  -8.971
  675   2HB   GLU  86          1HB       GLU  86   3.907 -19.613  -8.373
  676   1HG   GLU  86          2HG       GLU  86   3.702 -21.968  -9.083
  677   2HG   GLU  86          1HG       GLU  86   4.184 -21.780  -7.397
  678    H    HIS  87           H        HIS  87   4.743 -18.805  -6.536
  679    HA   HIS  87           HA       HIS  87   5.014 -20.000  -3.861
  680   1HB   HIS  87          2HB       HIS  87   6.684 -20.397  -6.241
  681   2HB   HIS  87          1HB       HIS  87   7.598 -19.930  -4.811
  682    HD1  HIS  87           1HD      HIS  87   6.265 -21.465  -2.611
  683    HD2  HIS  87           2HD      HIS  87   6.926 -23.086  -6.379
  684    HE1  HIS  87           1HE      HIS  87   6.244 -23.958  -2.283
  685    HE2  HIS  87           2HE      HIS  87   6.535 -24.917  -4.594
  686    H    GLY  88           H        GLY  88   4.284 -17.307  -4.868
  687   1HA   GLY  88          2HA       GLY  88   6.540 -15.732  -3.824
  688   2HA   GLY  88          1HA       GLY  88   5.291 -15.120  -4.899
  689    H    GLU  89           H        GLU  89   3.421 -16.815  -3.059
  690    HA   GLU  89           HA       GLU  89   2.113 -16.471  -1.245
  691   1HB   GLU  89          2HB       GLU  89   4.604 -15.084  -0.411
  692   2HB   GLU  89          1HB       GLU  89   3.136 -14.704   0.479
  693   1HG   GLU  89          2HG       GLU  89   3.116 -16.674   1.514
  694   2HG   GLU  89          1HG       GLU  89   3.518 -17.548   0.036
  695    H    LYS  90           H        LYS  90   1.204 -14.472   0.113
  696    HA   LYS  90           HA       LYS  90  -0.197 -12.905  -1.812
  697   1HB   LYS  90          2HB       LYS  90  -0.289 -13.376   1.094
  698   2HB   LYS  90          1HB       LYS  90  -0.845 -11.786   0.585
  699   1HG   LYS  90          2HG       LYS  90  -2.818 -12.743   0.272
  700   2HG   LYS  90          1HG       LYS  90  -2.114 -13.475  -1.168
  701   1HD   LYS  90          2HD       LYS  90  -1.543 -15.466   0.050
  702   2HD   LYS  90          1HD       LYS  90  -2.010 -14.718   1.578
  703   1HE   LYS  90          2HE       LYS  90  -3.909 -15.222  -0.707
  704   2HE   LYS  90          1HE       LYS  90  -3.683 -16.325   0.649
  705   1HZ   LYS  90          1HZ       LYS  90  -4.279 -13.545   1.298
  706   2HZ   LYS  90          2HZ       LYS  90  -4.789 -14.967   2.057
  707   3HZ   LYS  90          3HZ       LYS  90  -5.540 -14.456   0.631
  708    H    LEU  91           H        LEU  91  -0.046 -10.798  -2.341
  709    HA   LEU  91           HA       LEU  91   2.324  -9.308  -1.622
  710   1HB   LEU  91          2HB       LEU  91  -0.174  -8.348  -3.045
  711   2HB   LEU  91          1HB       LEU  91   1.373  -7.534  -3.000
  712    HG   LEU  91           HG       LEU  91   1.261 -10.257  -4.180
  713   1HD1  LEU  91          1HD1      LEU  91   0.154  -9.669  -6.044
  714   2HD1  LEU  91          2HD1      LEU  91   0.761  -8.014  -6.010
  715   3HD1  LEU  91          3HD1      LEU  91  -0.593  -8.478  -4.980
  716   1HD2  LEU  91          1HD2      LEU  91   3.181  -9.617  -5.237
  717   2HD2  LEU  91          2HD2      LEU  91   3.294  -8.637  -3.775
  718   3HD2  LEU  91          3HD2      LEU  91   2.721  -7.915  -5.279
  719    H    TYR  92           H        TYR  92   2.108  -9.179   0.580
  720    HA   TYR  92           HA       TYR  92  -0.338  -8.254   1.772
  721   1HB   TYR  92          2HB       TYR  92   1.090  -8.462   3.916
  722   2HB   TYR  92          1HB       TYR  92   0.628  -9.926   3.049
  723    HD1  TYR  92           1HD      TYR  92   2.266 -11.404   2.224
  724    HD2  TYR  92           2HD      TYR  92   3.422  -7.541   3.582
  725    HE1  TYR  92           1HE      TYR  92   4.629 -12.067   2.080
  726    HE2  TYR  92           2HE      TYR  92   5.789  -8.194   3.441
  727    HH   TYR  92           HH       TYR  92   6.850 -11.245   3.297
  728    H    LEU  93           H        LEU  93  -0.798  -6.433   2.652
  729    HA   LEU  93           HA       LEU  93   0.882  -4.145   2.138
  730   1HB   LEU  93          2HB       LEU  93  -1.926  -4.671   2.957
  731   2HB   LEU  93          1HB       LEU  93  -1.233  -3.134   3.417
  732    HG   LEU  93           HG       LEU  93  -1.293  -4.132   0.579
  733   1HD1  LEU  93          1HD1      LEU  93  -3.542  -3.633   1.892
  734   2HD1  LEU  93          2HD1      LEU  93  -3.312  -3.164   0.208
  735   3HD1  LEU  93          3HD1      LEU  93  -3.102  -1.973   1.492
  736   1HD2  LEU  93          1HD2      LEU  93  -0.449  -2.143  -0.056
  737   2HD2  LEU  93          2HD2      LEU  93   0.303  -2.261   1.533
  738   3HD2  LEU  93          3HD2      LEU  93  -1.143  -1.277   1.310
  739    H    VAL  94           H        VAL  94   2.621  -4.377   3.547
  740    HA   VAL  94           HA       VAL  94   1.978  -4.442   6.406
  741    HB   VAL  94           HB       VAL  94   3.431  -6.222   5.810
  742   1HG1  VAL  94          1HG1      VAL  94   4.701  -6.059   4.015
  743   2HG1  VAL  94          2HG1      VAL  94   5.833  -5.107   4.975
  744   3HG1  VAL  94          3HG1      VAL  94   4.585  -4.300   4.024
  745   1HG2  VAL  94          1HG2      VAL  94   4.144  -4.257   7.689
  746   2HG2  VAL  94          2HG2      VAL  94   5.640  -4.801   6.927
  747   3HG2  VAL  94          3HG2      VAL  94   4.566  -5.970   7.695
  748    H    ARG  95           H        ARG  95   5.134  -3.329   5.669
  749    HA   ARG  95           HA       ARG  95   4.393  -0.534   5.699
  750   1HB   ARG  95          2HB       ARG  95   5.671  -1.897   8.029
  751   2HB   ARG  95          1HB       ARG  95   6.142  -0.236   7.628
  752   1HG   ARG  95          2HG       ARG  95   4.451   0.272   9.021
  753   2HG   ARG  95          1HG       ARG  95   3.470   0.020   7.572
  754   1HD   ARG  95          2HD       ARG  95   2.653  -1.124   9.670
  755   2HD   ARG  95          1HD       ARG  95   2.856  -2.163   8.257
  756    HE   ARG  95           HE       ARG  95   5.144  -2.080  10.008
  757   1HH1  ARG  95          1HH1      ARG  95   2.104  -3.648   9.313
  758   2HH1  ARG  95          2HH1      ARG  95   2.533  -5.116  10.125
  759   1HH2  ARG  95          1HH2      ARG  95   5.711  -4.011  11.075
  760   2HH2  ARG  95          2HH2      ARG  95   4.581  -5.323  11.126
  761    H    ALA  96           H        ALA  96   6.441   0.819   5.963
  762    HA   ALA  96           HA       ALA  96   8.160   0.168   3.778
  763   1HB   ALA  96          1HB       ALA  96   8.905   2.358   3.979
  764   2HB   ALA  96          2HB       ALA  96   8.598   2.403   5.716
  765   3HB   ALA  96          3HB       ALA  96   7.249   2.445   4.581
  766    H    LEU  97           H        LEU  97  10.108  -0.762   3.835
  767    HA   LEU  97           HA       LEU  97  11.884  -1.943   4.626
  768   1HB   LEU  97          2HB       LEU  97  13.486  -0.626   5.574
  769   2HB   LEU  97          1HB       LEU  97  12.385   0.602   4.987
  770    HG   LEU  97           HG       LEU  97  11.481   0.125   7.563
  771   1HD1  LEU  97          1HD1      LEU  97  13.163  -0.949   8.593
  772   2HD1  LEU  97          2HD1      LEU  97  13.904   0.650   8.634
  773   3HD1  LEU  97          3HD1      LEU  97  14.346  -0.495   7.367
  774   1HD2  LEU  97          1HD2      LEU  97  13.509   2.239   6.955
  775   2HD2  LEU  97          2HD2      LEU  97  12.055   2.339   7.948
  776   3HD2  LEU  97          3HD2      LEU  97  11.919   2.269   6.191
  777    H    GLN  98           H        GLN  98  13.083  -2.442   6.944
  778    HA   GLN  98           HA       GLN  98  11.293  -4.213   8.240
  779   1HB   GLN  98          2HB       GLN  98  14.080  -3.817   8.143
  780   2HB   GLN  98          1HB       GLN  98  13.633  -3.676   9.837
  781   1HG   GLN  98          2HG       GLN  98  14.073  -5.923   9.625
  782   2HG   GLN  98          1HG       GLN  98  12.322  -5.863   9.429
  783   1HE2  GLN  98          1HE2      GLN  98  15.138  -5.372   7.318
  784   2HE2  GLN  98          2HE2      GLN  98  14.595  -6.428   6.064
  Start of MODEL    2
    1   1H    ARG   1          1HT       ARG   1  12.825   1.986  13.041
    2   2H    ARG   1          2HT       ARG   1  12.940   3.688  12.853
    3   3H    ARG   1          3HT       ARG   1  13.169   2.655  11.501
    4    HA   ARG   1           HA       ARG   1  10.855   1.853  11.924
    5   1HB   ARG   1          2HB       ARG   1  10.804   4.457  13.468
    6   2HB   ARG   1          1HB       ARG   1   9.427   3.414  13.147
    7   1HG   ARG   1          2HG       ARG   1  10.254   1.731  14.586
    8   2HG   ARG   1          1HG       ARG   1  11.834   2.505  14.697
    9   1HD   ARG   1          2HD       ARG   1   9.222   3.419  15.873
   10   2HD   ARG   1          1HD       ARG   1  10.709   2.993  16.720
   11    HE   ARG   1           HE       ARG   1  10.036   5.530  15.621
   12   1HH1  ARG   1          1HH1      ARG   1  12.724   3.389  16.234
   13   2HH1  ARG   1          2HH1      ARG   1  13.886   4.670  16.319
   14   1HH2  ARG   1          1HH2      ARG   1  11.564   7.217  15.737
   15   2HH2  ARG   1          2HH2      ARG   1  13.228   6.842  16.039
   16    H    GLU   2           H        GLU   2  10.966   5.386  11.953
   17    HA   GLU   2           HA       GLU   2  10.328   6.900  10.377
   18   1HB   GLU   2          2HB       GLU   2  12.143   5.210   8.657
   19   2HB   GLU   2          1HB       GLU   2  11.713   6.891   8.377
   20   1HG   GLU   2          2HG       GLU   2  13.196   7.655   9.876
   21   2HG   GLU   2          1HG       GLU   2  12.891   6.336  11.005
   22    H    TRP   3           H        TRP   3   8.630   4.449  10.536
   23    HA   TRP   3           HA       TRP   3   7.720   4.220   7.765
   24   1HB   TRP   3          2HB       TRP   3   6.047   2.553   8.932
   25   2HB   TRP   3          1HB       TRP   3   7.710   2.071   8.591
   26    HD1  TRP   3           HD       TRP   3   6.130   3.930  11.634
   27    HE1  TRP   3           1HE      TRP   3   6.919   2.732  13.770
   28    HE3  TRP   3           3HE      TRP   3   8.904   0.208   9.496
   29    HZ2  TRP   3           2HZ      TRP   3   8.503   0.499  14.457
   30    HZ3  TRP   3           3HZ      TRP   3  10.023  -1.420  10.963
   31    HH2  TRP   3           HH       TRP   3   9.826  -1.275  13.392
   32    H    TYR   4           H        TYR   4   6.812   5.569  10.835
   33    HA   TYR   4           HA       TYR   4   4.426   6.731   9.563
   34   1HB   TYR   4          2HB       TYR   4   4.600   5.131  11.971
   35   2HB   TYR   4          1HB       TYR   4   3.945   6.730  12.320
   36    HD1  TYR   4           1HD      TYR   4   1.676   6.368  12.687
   37    HD2  TYR   4           2HD      TYR   4   3.523   4.629   9.272
   38    HE1  TYR   4           1HE      TYR   4  -0.529   5.651  11.868
   39    HE2  TYR   4           2HE      TYR   4   1.323   3.907   8.443
   40    HH   TYR   4           HH       TYR   4  -1.516   4.062  10.387
   41    H    TYR   5           H        TYR   5   3.777   8.813  10.431
   42    HA   TYR   5           HA       TYR   5   5.036  10.379  12.279
   43   1HB   TYR   5          2HB       TYR   5   7.164  10.169  11.225
   44   2HB   TYR   5          1HB       TYR   5   6.482  10.442   9.627
   45    HD1  TYR   5           1HD      TYR   5   6.418  12.279  12.892
   46    HD2  TYR   5           2HD      TYR   5   7.158  12.435   8.706
   47    HE1  TYR   5           1HE      TYR   5   6.958  14.671  13.083
   48    HE2  TYR   5           2HE      TYR   5   7.700  14.827   8.884
   49    HH   TYR   5           HH       TYR   5   6.858  16.751  11.053
   50    H    GLY   6           H        GLY   6   3.706  10.217   9.052
   51   1HA   GLY   6          2HA       GLY   6   1.482  11.416   8.962
   52   2HA   GLY   6          1HA       GLY   6   2.394  12.830   9.463
   53    H    ASN   7           H        ASN   7   4.560  11.407   7.675
   54    HA   ASN   7           HA       ASN   7   3.558  11.872   5.019
   55   1HB   ASN   7          2HB       ASN   7   5.249  13.876   6.422
   56   2HB   ASN   7          1HB       ASN   7   5.649  13.529   4.743
   57   1HD2  ASN   7          1HD2      ASN   7   3.297  13.183   3.540
   58   2HD2  ASN   7          2HD2      ASN   7   2.323  14.606   3.653
   59    H    VAL   8           H        VAL   8   4.299  10.042   4.139
   60    HA   VAL   8           HA       VAL   8   7.176   9.578   4.094
   61    HB   VAL   8           HB       VAL   8   5.608   7.111   4.515
   62   1HG1  VAL   8          1HG1      VAL   8   8.324   8.127   4.907
   63   2HG1  VAL   8          2HG1      VAL   8   7.762   6.505   4.503
   64   3HG1  VAL   8          3HG1      VAL   8   7.763   7.046   6.182
   65   1HG2  VAL   8          1HG2      VAL   8   5.717   7.387   7.012
   66   2HG2  VAL   8          2HG2      VAL   8   4.509   8.383   6.201
   67   3HG2  VAL   8          3HG2      VAL   8   6.027   9.102   6.740
   68    H    THR   9           H        THR   9   7.327   7.254   2.728
   69    HA   THR   9           HA       THR   9   7.160   6.397   0.630
   70    HB   THR   9           HB       THR   9   4.322   7.303   0.563
   71    HG1  THR   9           1HG      THR   9   4.277   6.597   2.572
   72   1HG2  THR   9          1HG2      THR   9   4.767   4.498   0.190
   73   2HG2  THR   9          2HG2      THR   9   5.764   5.444  -0.911
   74   3HG2  THR   9          3HG2      THR   9   4.017   5.664  -0.896
   75    H    ARG  10           H        ARG  10   6.107   7.055  -1.708
   76    HA   ARG  10           HA       ARG  10   6.100   8.499  -3.460
   77   1HB   ARG  10          2HB       ARG  10   4.708  10.065  -2.427
   78   2HB   ARG  10          1HB       ARG  10   5.882  10.426  -1.183
   79   1HG   ARG  10          2HG       ARG  10   6.901  11.128  -3.789
   80   2HG   ARG  10          1HG       ARG  10   5.342  11.899  -3.481
   81   1HD   ARG  10          2HD       ARG  10   7.472  11.951  -1.383
   82   2HD   ARG  10          1HD       ARG  10   7.550  13.072  -2.741
   83    HE   ARG  10           HE       ARG  10   5.023  12.994  -1.327
   84   1HH1  ARG  10          1HH1      ARG  10   8.137  14.546  -1.647
   85   2HH1  ARG  10          2HH1      ARG  10   7.621  16.012  -0.886
   86   1HH2  ARG  10          1HH2      ARG  10   4.348  14.921  -0.326
   87   2HH2  ARG  10          2HH2      ARG  10   5.472  16.225  -0.134
   88    H    HIS  11           H        HIS  11   8.187   9.718  -0.861
   89    HA   HIS  11           HA       HIS  11  10.390  10.011  -2.770
   90   1HB   HIS  11          2HB       HIS  11  10.027  11.957  -1.360
   91   2HB   HIS  11          1HB       HIS  11  10.052  10.958   0.089
   92    HD1  HIS  11           1HD      HIS  11  12.625  10.485  -2.589
   93    HD2  HIS  11           2HD      HIS  11  12.276  12.291   1.138
   94    HE1  HIS  11           1HE      HIS  11  14.972  11.080  -1.907
   95    HE2  HIS  11           2HE      HIS  11  14.744  12.084   0.393
   96    H    GLN  12           H        GLN  12   9.350   8.381   0.146
   97    HA   GLN  12           HA       GLN  12  11.793   6.919   0.504
   98   1HB   GLN  12          2HB       GLN  12   9.063   6.500   1.742
   99   2HB   GLN  12          1HB       GLN  12  10.560   5.724   2.264
  100   1HG   GLN  12          2HG       GLN  12  10.675   8.650   2.160
  101   2HG   GLN  12          1HG       GLN  12   9.526   7.995   3.330
  102   1HE2  GLN  12          1HE2      GLN  12  10.939   8.958   4.921
  103   2HE2  GLN  12          2HE2      GLN  12  12.350   8.104   5.437
  104    H    ALA  13           H        ALA  13   8.527   6.197  -0.758
  105    HA   ALA  13           HA       ALA  13   8.712   3.490  -1.157
  106   1HB   ALA  13          1HB       ALA  13   6.696   4.038  -1.940
  107   2HB   ALA  13          2HB       ALA  13   7.498   4.304  -3.487
  108   3HB   ALA  13          3HB       ALA  13   7.219   5.658  -2.394
  109    H    GLU  14           H        GLU  14  10.297   6.009  -3.008
  110    HA   GLU  14           HA       GLU  14  11.273   4.120  -4.978
  111   1HB   GLU  14          2HB       GLU  14  12.505   6.795  -4.845
  112   2HB   GLU  14          1HB       GLU  14  11.955   5.867  -6.236
  113   1HG   GLU  14          2HG       GLU  14   9.902   6.950  -4.392
  114   2HG   GLU  14          1HG       GLU  14  10.768   8.073  -5.424
  115    H    CYS  15           H        CYS  15  12.596   6.271  -2.526
  116    HA   CYS  15           HA       CYS  15  15.251   5.331  -2.681
  117   1HB   CYS  15          2HB       CYS  15  13.708   6.768  -0.534
  118   2HB   CYS  15          1HB       CYS  15  15.383   6.284  -0.291
  119    HG   CYS  15           HG       CYS  15  15.332   7.851  -2.785
  120    H    ALA  16           H        ALA  16  12.509   3.693  -1.620
  121    HA   ALA  16           HA       ALA  16  13.999   2.065   0.303
  122   1HB   ALA  16          1HB       ALA  16  11.107   2.524  -0.237
  123   2HB   ALA  16          2HB       ALA  16  11.994   2.608   1.285
  124   3HB   ALA  16          3HB       ALA  16  11.619   1.040   0.568
  125    H    LEU  17           H        LEU  17  12.325   1.858  -2.787
  126    HA   LEU  17           HA       LEU  17  13.368  -0.872  -3.036
  127   1HB   LEU  17          2HB       LEU  17  11.251  -0.546  -4.884
  128   2HB   LEU  17          1HB       LEU  17  11.381  -1.662  -3.531
  129    HG   LEU  17           HG       LEU  17  10.330   1.114  -3.316
  130   1HD1  LEU  17          1HD1      LEU  17   8.185   0.366  -3.510
  131   2HD1  LEU  17          2HD1      LEU  17   8.608  -1.280  -3.037
  132   3HD1  LEU  17          3HD1      LEU  17   9.003  -0.696  -4.656
  133   1HD2  LEU  17          1HD2      LEU  17  10.379   0.814  -1.119
  134   2HD2  LEU  17          2HD2      LEU  17  11.326  -0.645  -1.406
  135   3HD2  LEU  17          3HD2      LEU  17   9.572  -0.744  -1.267
  136    H    ASN  18           H        ASN  18  14.139   2.019  -3.861
  137    HA   ASN  18           HA       ASN  18  14.088   2.569  -6.499
  138   1HB   ASN  18          2HB       ASN  18  15.644   3.403  -4.362
  139   2HB   ASN  18          1HB       ASN  18  16.831   2.779  -5.505
  140   1HD2  ASN  18          1HD2      ASN  18  16.698   5.450  -4.801
  141   2HD2  ASN  18          2HD2      ASN  18  16.206   6.371  -6.177
  142    H    GLU  19           H        GLU  19  15.798  -0.061  -4.973
  143    HA   GLU  19           HA       GLU  19  17.630  -0.763  -6.938
  144   1HB   GLU  19          2HB       GLU  19  17.574  -1.840  -4.750
  145   2HB   GLU  19          1HB       GLU  19  16.026  -2.582  -5.133
  146   1HG   GLU  19          2HG       GLU  19  17.076  -3.872  -6.914
  147   2HG   GLU  19          1HG       GLU  19  18.628  -3.119  -6.551
  148    H    ARG  20           H        ARG  20  14.387  -2.163  -6.509
  149    HA   ARG  20           HA       ARG  20  12.841  -2.262  -8.382
  150   1HB   ARG  20          2HB       ARG  20  15.351  -2.999  -9.879
  151   2HB   ARG  20          1HB       ARG  20  13.760  -3.423 -10.484
  152   1HG   ARG  20          2HG       ARG  20  14.493  -0.601  -9.781
  153   2HG   ARG  20          1HG       ARG  20  14.789  -1.292 -11.378
  154   1HD   ARG  20          2HD       ARG  20  12.223  -1.999 -11.055
  155   2HD   ARG  20          1HD       ARG  20  12.245  -0.538 -10.070
  156    HE   ARG  20           HE       ARG  20  12.483   0.718 -11.979
  157   1HH1  ARG  20          1HH1      ARG  20  13.030  -2.645 -12.743
  158   2HH1  ARG  20          2HH1      ARG  20  12.996  -2.389 -14.455
  159   1HH2  ARG  20          1HH2      ARG  20  12.435   1.053 -14.230
  160   2HH2  ARG  20          2HH2      ARG  20  12.659  -0.291 -15.299
  161    H    GLY  21           H        GLY  21  11.918  -3.722  -6.988
  162   1HA   GLY  21          2HA       GLY  21  11.058  -5.842  -6.582
  163   2HA   GLY  21          1HA       GLY  21  12.150  -6.480  -7.798
  164    H    VAL  22           H        VAL  22  11.703  -5.786  -4.415
  165    HA   VAL  22           HA       VAL  22  13.824  -7.652  -3.757
  166    HB   VAL  22           HB       VAL  22  14.666  -6.095  -1.957
  167   1HG1  VAL  22          1HG1      VAL  22  15.131  -5.171  -4.786
  168   2HG1  VAL  22          2HG1      VAL  22  15.889  -6.583  -4.049
  169   3HG1  VAL  22          3HG1      VAL  22  16.220  -4.972  -3.412
  170   1HG2  VAL  22          1HG2      VAL  22  13.639  -4.154  -1.621
  171   2HG2  VAL  22          2HG2      VAL  22  12.600  -4.431  -3.019
  172   3HG2  VAL  22          3HG2      VAL  22  14.156  -3.627  -3.222
  173    H    GLU  23           H        GLU  23  13.001  -9.051  -2.334
  174    HA   GLU  23           HA       GLU  23  11.431 -10.013  -0.955
  175   1HB   GLU  23          2HB       GLU  23  12.104  -7.582   0.709
  176   2HB   GLU  23          1HB       GLU  23  11.563  -9.149   1.296
  177   1HG   GLU  23          2HG       GLU  23  13.688 -10.052   0.140
  178   2HG   GLU  23          1HG       GLU  23  14.218  -8.370   0.175
  179    H    GLY  24           H        GLY  24  10.005  -8.043   1.063
  180   1HA   GLY  24          2HA       GLY  24   7.858  -7.227  -0.793
  181   2HA   GLY  24          1HA       GLY  24   7.508  -8.063   0.714
  182    H    ASP  25           H        ASP  25   7.925  -5.058  -0.778
  183    HA   ASP  25           HA       ASP  25   7.837  -3.726   1.847
  184   1HB   ASP  25          2HB       ASP  25  10.047  -3.516   0.533
  185   2HB   ASP  25          1HB       ASP  25   9.142  -2.469  -0.555
  186    H    PHE  26           H        PHE  26   5.962  -2.733   2.113
  187    HA   PHE  26           HA       PHE  26   4.694  -1.377  -0.174
  188   1HB   PHE  26          2HB       PHE  26   3.658  -3.642   1.004
  189   2HB   PHE  26          1HB       PHE  26   2.807  -2.370   1.838
  190    HD1  PHE  26           1HD      PHE  26   1.522  -4.446   0.057
  191    HD2  PHE  26           2HD      PHE  26   3.009  -0.554  -0.769
  192    HE1  PHE  26           1HE      PHE  26  -0.071  -4.245  -1.800
  193    HE2  PHE  26           2HE      PHE  26   1.422  -0.344  -2.637
  194    HZ   PHE  26           HZ       PHE  26  -0.125  -2.187  -3.152
  195    H    LEU  27           H        LEU  27   4.094   0.645   0.234
  196    HA   LEU  27           HA       LEU  27   3.690   1.450   3.026
  197   1HB   LEU  27          2HB       LEU  27   5.005   3.621   2.395
  198   2HB   LEU  27          1HB       LEU  27   5.829   2.198   3.004
  199    HG   LEU  27           HG       LEU  27   5.578   2.588   0.050
  200   1HD1  LEU  27          1HD1      LEU  27   6.599   4.598   1.597
  201   2HD1  LEU  27          2HD1      LEU  27   7.041   4.273  -0.075
  202   3HD1  LEU  27          3HD1      LEU  27   8.034   3.640   1.233
  203   1HD2  LEU  27          1HD2      LEU  27   8.040   1.623   0.528
  204   2HD2  LEU  27          2HD2      LEU  27   6.617   0.601   0.321
  205   3HD2  LEU  27          3HD2      LEU  27   7.189   0.998   1.941
  206    H    ILE  28           H        ILE  28   2.094   2.787   3.360
  207    HA   ILE  28           HA       ILE  28   0.733   3.976   1.044
  208    HB   ILE  28           HB       ILE  28  -0.588   3.814   3.720
  209   1HG1  ILE  28          2HG1      ILE  28   0.392   1.541   2.191
  210   2HG1  ILE  28          1HG1      ILE  28  -0.210   1.598   3.847
  211   1HG2  ILE  28          1HG2      ILE  28  -1.622   4.836   1.623
  212   2HG2  ILE  28          2HG2      ILE  28  -2.589   3.638   2.483
  213   3HG2  ILE  28          3HG2      ILE  28  -1.737   3.188   1.008
  214   1HD1  ILE  28          1HD1      ILE  28  -1.769   1.299   1.305
  215   2HD1  ILE  28          2HD1      ILE  28  -2.521   1.672   2.850
  216   3HD1  ILE  28          3HD1      ILE  28  -1.639   0.162   2.640
  217    H    ARG  29           H        ARG  29   0.231   6.147   1.019
  218    HA   ARG  29           HA       ARG  29   1.372   7.755   3.205
  219   1HB   ARG  29          2HB       ARG  29   1.593   9.301   0.906
  220   2HB   ARG  29          1HB       ARG  29   2.900   8.462   1.737
  221   1HG   ARG  29          2HG       ARG  29   2.617   6.531   0.309
  222   2HG   ARG  29          1HG       ARG  29   1.231   7.278  -0.483
  223   1HD   ARG  29          2HD       ARG  29   3.645   8.946  -0.476
  224   2HD   ARG  29          1HD       ARG  29   3.855   7.425  -1.334
  225    HE   ARG  29           HE       ARG  29   2.301   8.119  -2.921
  226   1HH1  ARG  29          1HH1      ARG  29   2.533  10.460  -0.335
  227   2HH1  ARG  29          2HH1      ARG  29   1.681  11.688  -1.208
  228   1HH2  ARG  29          1HH2      ARG  29   1.183   9.737  -4.062
  229   2HH2  ARG  29          2HH2      ARG  29   0.916  11.279  -3.321
  230    H    ASP  30           H        ASP  30   0.541   9.882   3.462
  231    HA   ASP  30           HA       ASP  30  -2.304  10.055   2.807
  232   1HB   ASP  30          2HB       ASP  30  -1.601  10.360   5.166
  233   2HB   ASP  30          1HB       ASP  30  -0.638  11.753   4.683
  234    H    SER  31           H        SER  31  -2.986  11.312   1.196
  235    HA   SER  31           HA       SER  31  -1.104  13.156  -0.048
  236   1HB   SER  31          2HB       SER  31  -2.199  11.730  -1.609
  237   2HB   SER  31          1HB       SER  31  -3.780  12.051  -0.900
  238    HG   SER  31           HG       SER  31  -3.665  14.154  -1.692
  239    H    GLU  32           H        GLU  32  -1.042  14.923   1.289
  240    HA   GLU  32           HA       GLU  32  -3.089  16.175   2.624
  241   1HB   GLU  32          2HB       GLU  32  -0.696  16.760   2.837
  242   2HB   GLU  32          1HB       GLU  32  -0.759  17.537   1.261
  243   1HG   GLU  32          2HG       GLU  32  -0.884  19.184   3.021
  244   2HG   GLU  32          1HG       GLU  32  -2.399  19.137   2.120
  245    H    SER  33           H        SER  33  -2.342  16.288  -0.780
  246    HA   SER  33           HA       SER  33  -3.764  18.565  -1.538
  247   1HB   SER  33          2HB       SER  33  -3.738  17.678  -3.765
  248   2HB   SER  33          1HB       SER  33  -2.232  17.178  -2.994
  249    HG   SER  33           HG       SER  33  -4.496  15.649  -3.647
  250    H    SER  34           H        SER  34  -4.852  15.372  -0.676
  251    HA   SER  34           HA       SER  34  -7.619  16.305  -0.855
  252   1HB   SER  34          2HB       SER  34  -6.428  13.991  -2.292
  253   2HB   SER  34          1HB       SER  34  -8.022  13.750  -1.576
  254    HG   SER  34           HG       SER  34  -8.727  14.730  -3.288
  255    HA   PRO  35           HA       PRO  35  -7.380  14.708   3.332
  256   1HB   PRO  35          2HB       PRO  35 -10.064  14.968   3.872
  257   2HB   PRO  35          1HB       PRO  35  -8.887  16.276   4.015
  258   1HG   PRO  35          2HG       PRO  35 -10.788  15.671   1.789
  259   2HG   PRO  35          1HG       PRO  35 -10.343  17.238   2.490
  260   1HD   PRO  35          2HD       PRO  35  -9.316  16.393   0.156
  261   2HD   PRO  35          1HD       PRO  35  -8.355  17.345   1.307
  262    H    SER  36           H        SER  36  -9.275  13.470   0.726
  263    HA   SER  36           HA       SER  36  -9.648  10.949   2.205
  264   1HB   SER  36          2HB       SER  36 -11.355  11.399  -0.160
  265   2HB   SER  36          1HB       SER  36 -11.768  10.738   1.422
  266    HG   SER  36           HG       SER  36 -11.952  13.311   0.487
  267    H    ASP  37           H        ASP  37  -7.258  11.538   0.862
  268    HA   ASP  37           HA       ASP  37  -7.357   9.503  -1.248
  269   1HB   ASP  37          2HB       ASP  37  -7.239  12.005  -2.048
  270   2HB   ASP  37          1HB       ASP  37  -5.537  11.851  -1.600
  271    H    PHE  38           H        PHE  38  -5.755   8.064  -1.204
  272    HA   PHE  38           HA       PHE  38  -3.315   8.596   0.299
  273   1HB   PHE  38          2HB       PHE  38  -5.375   6.544   1.000
  274   2HB   PHE  38          1HB       PHE  38  -3.669   6.153   1.248
  275    HD1  PHE  38           1HD      PHE  38  -6.371   8.493   2.179
  276    HD2  PHE  38           2HD      PHE  38  -2.456   7.070   3.048
  277    HE1  PHE  38           1HE      PHE  38  -6.407   9.711   4.317
  278    HE2  PHE  38           2HE      PHE  38  -2.484   8.285   5.187
  279    HZ   PHE  38           HZ       PHE  38  -4.462   9.608   5.824
  280    H    SER  39           H        SER  39  -1.550   7.278  -0.313
  281    HA   SER  39           HA       SER  39  -2.003   5.565  -2.670
  282   1HB   SER  39          2HB       SER  39  -0.707   8.038  -2.693
  283   2HB   SER  39          1HB       SER  39   0.595   6.842  -2.680
  284    HG   SER  39           HG       SER  39   0.186   6.655  -4.729
  285    H    VAL  40           H        VAL  40  -0.744   3.726  -2.834
  286    HA   VAL  40           HA       VAL  40   1.461   3.397  -1.001
  287    HB   VAL  40           HB       VAL  40  -0.258   2.544   0.400
  288   1HG1  VAL  40          1HG1      VAL  40  -1.333   0.293  -0.741
  289   2HG1  VAL  40          2HG1      VAL  40  -1.355   1.472  -2.053
  290   3HG1  VAL  40          3HG1      VAL  40  -2.146   1.841  -0.522
  291   1HG2  VAL  40          1HG2      VAL  40   0.481  -0.099  -0.130
  292   2HG2  VAL  40          2HG2      VAL  40   1.199   1.012   1.028
  293   3HG2  VAL  40          3HG2      VAL  40   1.844   0.910  -0.602
  294    H    SER  41           H        SER  41   3.087   2.207  -1.801
  295    HA   SER  41           HA       SER  41   2.594   0.823  -4.362
  296   1HB   SER  41          2HB       SER  41   4.243   3.036  -3.871
  297   2HB   SER  41          1HB       SER  41   5.339   1.670  -4.070
  298    HG   SER  41           HG       SER  41   4.996   1.933  -6.119
  299    H    LEU  42           H        LEU  42   3.425  -1.151  -4.724
  300    HA   LEU  42           HA       LEU  42   5.194  -2.362  -2.698
  301   1HB   LEU  42          2HB       LEU  42   2.751  -3.049  -2.505
  302   2HB   LEU  42          1HB       LEU  42   2.963  -3.875  -4.029
  303    HG   LEU  42           HG       LEU  42   4.773  -5.223  -2.988
  304   1HD1  LEU  42          1HD1      LEU  42   4.595  -3.260  -1.009
  305   2HD1  LEU  42          2HD1      LEU  42   5.622  -4.691  -1.013
  306   3HD1  LEU  42          3HD1      LEU  42   4.027  -4.752  -0.264
  307   1HD2  LEU  42          1HD2      LEU  42   1.942  -5.332  -2.381
  308   2HD2  LEU  42          2HD2      LEU  42   2.922  -6.116  -1.145
  309   3HD2  LEU  42          3HD2      LEU  42   3.056  -6.624  -2.825
  310    H    LYS  43           H        LYS  43   6.347  -4.231  -3.394
  311    HA   LYS  43           HA       LYS  43   6.746  -4.353  -6.317
  312   1HB   LYS  43          2HB       LYS  43   8.766  -5.089  -4.207
  313   2HB   LYS  43          1HB       LYS  43   9.034  -4.937  -5.938
  314   1HG   LYS  43          2HG       LYS  43   8.107  -2.462  -5.290
  315   2HG   LYS  43          1HG       LYS  43   9.017  -2.905  -3.854
  316   1HD   LYS  43          2HD       LYS  43  10.115  -3.207  -6.628
  317   2HD   LYS  43          1HD       LYS  43  10.312  -1.731  -5.679
  318   1HE   LYS  43          2HE       LYS  43  11.072  -3.416  -3.837
  319   2HE   LYS  43          1HE       LYS  43  11.406  -4.446  -5.215
  320   1HZ   LYS  43          1HZ       LYS  43  13.286  -3.365  -5.570
  321   2HZ   LYS  43          2HZ       LYS  43  13.013  -2.429  -4.194
  322   3HZ   LYS  43          3HZ       LYS  43  12.470  -1.888  -5.703
  323    H    ALA  44           H        ALA  44   7.343  -6.496  -7.182
  324    HA   ALA  44           HA       ALA  44   6.463  -8.714  -5.455
  325   1HB   ALA  44          1HB       ALA  44   5.681  -8.201  -8.314
  326   2HB   ALA  44          2HB       ALA  44   4.620  -8.288  -6.914
  327   3HB   ALA  44          3HB       ALA  44   5.435  -9.739  -7.495
  328    H    SER  45           H        SER  45   6.940 -10.842  -6.975
  329    HA   SER  45           HA       SER  45   9.769 -10.989  -7.018
  330   1HB   SER  45          2HB       SER  45   8.581 -13.117  -8.548
  331   2HB   SER  45          1HB       SER  45   9.325 -13.184  -6.952
  332    HG   SER  45           HG       SER  45   6.621 -12.731  -7.620
  333    H    GLY  46           H        GLY  46  10.258  -9.207  -8.428
  334   1HA   GLY  46          2HA       GLY  46  11.393  -9.106 -10.573
  335   2HA   GLY  46          1HA       GLY  46  10.048  -9.978 -11.270
  336    H    LYS  47           H        LYS  47   7.896  -8.639 -10.501
  337    HA   LYS  47           HA       LYS  47   8.310  -5.991 -11.624
  338   1HB   LYS  47          2HB       LYS  47   5.711  -6.361 -11.992
  339   2HB   LYS  47          1HB       LYS  47   6.915  -6.866 -13.153
  340   1HG   LYS  47          2HG       LYS  47   5.292  -8.608 -12.845
  341   2HG   LYS  47          1HG       LYS  47   6.842  -9.128 -12.170
  342   1HD   LYS  47          2HD       LYS  47   5.608  -7.819 -10.083
  343   2HD   LYS  47          1HD       LYS  47   4.287  -8.702 -10.858
  344   1HE   LYS  47          2HE       LYS  47   6.316 -10.559 -10.814
  345   2HE   LYS  47          1HE       LYS  47   6.540  -9.704  -9.290
  346   1HZ   LYS  47          1HZ       LYS  47   4.039 -10.065  -9.001
  347   2HZ   LYS  47          2HZ       LYS  47   5.057 -11.398  -8.777
  348   3HZ   LYS  47          3HZ       LYS  47   4.190 -11.229 -10.219
  349    H    ASN  48           H        ASN  48   6.637  -4.400 -11.006
  350    HA   ASN  48           HA       ASN  48   6.175  -4.549  -8.108
  351   1HB   ASN  48          2HB       ASN  48   6.074  -2.011  -8.275
  352   2HB   ASN  48          1HB       ASN  48   7.654  -2.747  -8.552
  353   1HD2  ASN  48          1HD2      ASN  48   5.978  -0.285  -9.516
  354   2HD2  ASN  48          2HD2      ASN  48   6.354  -0.225 -11.201
  355    H    LYS  49           H        LYS  49   4.202  -3.883  -7.241
  356    HA   LYS  49           HA       LYS  49   1.982  -3.849  -9.170
  357   1HB   LYS  49          2HB       LYS  49   1.843  -4.461  -6.219
  358   2HB   LYS  49          1HB       LYS  49   0.577  -4.698  -7.417
  359   1HG   LYS  49          2HG       LYS  49   2.582  -6.189  -8.471
  360   2HG   LYS  49          1HG       LYS  49   2.876  -6.381  -6.741
  361   1HD   LYS  49          2HD       LYS  49   1.380  -8.075  -7.038
  362   2HD   LYS  49          1HD       LYS  49   0.246  -6.757  -6.729
  363   1HE   LYS  49          2HE       LYS  49  -0.428  -8.099  -8.665
  364   2HE   LYS  49          1HE       LYS  49  -0.059  -6.432  -9.119
  365   1HZ   LYS  49          1HZ       LYS  49   0.854  -8.303 -10.570
  366   2HZ   LYS  49          2HZ       LYS  49   1.979  -8.559  -9.334
  367   3HZ   LYS  49          3HZ       LYS  49   1.920  -7.067 -10.127
  368    H    HIS  50           H        HIS  50   0.962  -1.970  -9.480
  369    HA   HIS  50           HA       HIS  50   1.477   0.275  -7.740
  370   1HB   HIS  50          2HB       HIS  50  -0.172   1.430  -9.337
  371   2HB   HIS  50          1HB       HIS  50   1.362   0.889 -10.002
  372    HD1  HIS  50           1HD      HIS  50  -2.308   0.134 -10.051
  373    HD2  HIS  50           2HD      HIS  50   1.178  -1.116 -11.937
  374    HE1  HIS  50           1HE      HIS  50  -3.062  -1.291 -11.981
  375    HE2  HIS  50           2HE      HIS  50  -0.935  -2.081 -13.076
  376    H    PHE  51           H        PHE  51   0.052   1.286  -6.378
  377    HA   PHE  51           HA       PHE  51  -2.660   0.264  -6.154
  378   1HB   PHE  51          2HB       PHE  51  -0.790  -0.968  -4.657
  379   2HB   PHE  51          1HB       PHE  51  -1.197   0.357  -3.579
  380    HD1  PHE  51           1HD      PHE  51  -2.085  -1.058  -1.884
  381    HD2  PHE  51           2HD      PHE  51  -3.690  -1.163  -5.825
  382    HE1  PHE  51           1HE      PHE  51  -4.028  -2.313  -1.056
  383    HE2  PHE  51           2HE      PHE  51  -5.637  -2.415  -5.001
  384    HZ   PHE  51           HZ       PHE  51  -5.810  -2.987  -2.614
  385    H    LYS  52           H        LYS  52  -4.057   1.826  -5.693
  386    HA   LYS  52           HA       LYS  52  -3.112   4.219  -4.271
  387   1HB   LYS  52          2HB       LYS  52  -3.425   4.376  -6.894
  388   2HB   LYS  52          1HB       LYS  52  -5.122   4.524  -6.459
  389   1HG   LYS  52          2HG       LYS  52  -4.537   6.435  -4.999
  390   2HG   LYS  52          1HG       LYS  52  -2.874   6.323  -5.581
  391   1HD   LYS  52          2HD       LYS  52  -5.144   6.570  -7.517
  392   2HD   LYS  52          1HD       LYS  52  -4.512   8.000  -6.701
  393   1HE   LYS  52          2HE       LYS  52  -2.347   7.672  -7.628
  394   2HE   LYS  52          1HE       LYS  52  -2.776   6.069  -8.224
  395   1HZ   LYS  52          1HZ       LYS  52  -3.391   8.690  -9.336
  396   2HZ   LYS  52          2HZ       LYS  52  -4.600   7.516  -9.469
  397   3HZ   LYS  52          3HZ       LYS  52  -3.067   7.228 -10.124
  398    H    VAL  53           H        VAL  53  -4.470   4.939  -2.711
  399    HA   VAL  53           HA       VAL  53  -7.075   3.583  -2.495
  400    HB   VAL  53           HB       VAL  53  -5.398   4.730  -0.260
  401   1HG1  VAL  53          1HG1      VAL  53  -7.230   2.850   0.717
  402   2HG1  VAL  53          2HG1      VAL  53  -8.142   3.880  -0.385
  403   3HG1  VAL  53          3HG1      VAL  53  -7.253   4.596   0.957
  404   1HG2  VAL  53          1HG2      VAL  53  -5.478   2.080  -1.554
  405   2HG2  VAL  53          2HG2      VAL  53  -5.437   2.089   0.209
  406   3HG2  VAL  53          3HG2      VAL  53  -4.163   2.893  -0.707
  407    H    GLN  54           H        GLN  54  -8.632   4.900  -3.149
  408    HA   GLN  54           HA       GLN  54  -8.662   7.678  -2.157
  409   1HB   GLN  54          2HB       GLN  54  -8.244   7.306  -4.687
  410   2HB   GLN  54          1HB       GLN  54  -9.945   6.861  -4.750
  411   1HG   GLN  54          2HG       GLN  54  -9.422   9.372  -3.352
  412   2HG   GLN  54          1HG       GLN  54  -8.958   9.379  -5.053
  413   1HE2  GLN  54          1HE2      GLN  54 -10.801   7.930  -6.287
  414   2HE2  GLN  54          2HE2      GLN  54 -12.381   8.596  -6.076
  415    H    LEU  55           H        LEU  55 -10.587   8.463  -1.405
  416    HA   LEU  55           HA       LEU  55 -12.541   6.459  -0.703
  417   1HB   LEU  55          2HB       LEU  55 -12.414   7.710   1.147
  418   2HB   LEU  55          1HB       LEU  55 -11.677   9.050   0.289
  419    HG   LEU  55           HG       LEU  55 -13.805   9.562   1.510
  420   1HD1  LEU  55          1HD1      LEU  55 -12.873  10.413  -0.996
  421   2HD1  LEU  55          2HD1      LEU  55 -13.868  11.297   0.158
  422   3HD1  LEU  55          3HD1      LEU  55 -14.632  10.332  -1.105
  423   1HD2  LEU  55          1HD2      LEU  55 -14.811   7.306   0.515
  424   2HD2  LEU  55          2HD2      LEU  55 -15.388   8.423  -0.720
  425   3HD2  LEU  55          3HD2      LEU  55 -15.819   8.675   0.969
  426    H    VAL  56           H        VAL  56 -14.107   5.952  -2.056
  427    HA   VAL  56           HA       VAL  56 -15.184   8.026  -3.844
  428    HB   VAL  56           HB       VAL  56 -14.255   5.417  -4.415
  429   1HG1  VAL  56          1HG1      VAL  56 -16.198   4.406  -5.493
  430   2HG1  VAL  56          2HG1      VAL  56 -17.220   5.705  -4.882
  431   3HG1  VAL  56          3HG1      VAL  56 -16.452   4.583  -3.758
  432   1HG2  VAL  56          1HG2      VAL  56 -14.220   6.204  -6.537
  433   2HG2  VAL  56          2HG2      VAL  56 -14.510   7.743  -5.727
  434   3HG2  VAL  56          3HG2      VAL  56 -15.856   6.854  -6.439
  435    H    ASP  57           H        ASP  57 -17.285   8.514  -3.775
  436    HA   ASP  57           HA       ASP  57 -19.310   8.801  -2.698
  437   1HB   ASP  57          2HB       ASP  57 -19.480   7.124  -4.667
  438   2HB   ASP  57          1HB       ASP  57 -19.718   5.912  -3.407
  439    H    ASN  58           H        ASN  58 -17.942   8.706  -0.562
  440    HA   ASN  58           HA       ASN  58 -17.920   8.184   1.652
  441   1HB   ASN  58          2HB       ASN  58 -20.010   8.148   2.460
  442   2HB   ASN  58          1HB       ASN  58 -20.573   7.979   0.806
  443   1HD2  ASN  58          1HD2      ASN  58 -21.266   5.981   0.072
  444   2HD2  ASN  58          2HD2      ASN  58 -21.599   4.668   1.144
  445    H    VAL  59           H        VAL  59 -16.901   6.268  -0.451
  446    HA   VAL  59           HA       VAL  59 -16.594   3.954   1.327
  447    HB   VAL  59           HB       VAL  59 -17.416   4.005  -1.511
  448   1HG1  VAL  59          1HG1      VAL  59 -15.226   3.112  -1.863
  449   2HG1  VAL  59          2HG1      VAL  59 -16.381   1.782  -1.943
  450   3HG1  VAL  59          3HG1      VAL  59 -15.401   2.013  -0.495
  451   1HG2  VAL  59          1HG2      VAL  59 -17.738   1.626   0.200
  452   2HG2  VAL  59          2HG2      VAL  59 -18.900   2.443  -0.846
  453   3HG2  VAL  59          3HG2      VAL  59 -18.534   3.101   0.749
  454    H    TYR  60           H        TYR  60 -14.537   2.835   1.128
  455    HA   TYR  60           HA       TYR  60 -12.442   4.660   0.164
  456   1HB   TYR  60          2HB       TYR  60 -12.415   2.520   2.289
  457   2HB   TYR  60          1HB       TYR  60 -10.955   3.324   1.710
  458    HD1  TYR  60           1HD      TYR  60 -13.346   3.336   4.223
  459    HD2  TYR  60           2HD      TYR  60 -11.196   6.011   1.710
  460    HE1  TYR  60           1HE      TYR  60 -13.713   5.145   5.847
  461    HE2  TYR  60           2HE      TYR  60 -11.557   7.829   3.327
  462    HH   TYR  60           HH       TYR  60 -12.666   7.292   6.478
  463    H    CYS  61           H        CYS  61 -11.740   4.118  -1.793
  464    HA   CYS  61           HA       CYS  61 -11.781   1.334  -2.615
  465   1HB   CYS  61          2HB       CYS  61 -11.742   2.061  -4.802
  466   2HB   CYS  61          1HB       CYS  61 -12.556   3.406  -4.018
  467    HG   CYS  61           HG       CYS  61 -10.781   4.423  -5.564
  468    H    ILE  62           H        ILE  62 -10.018   0.251  -3.490
  469    HA   ILE  62           HA       ILE  62  -7.351   1.343  -2.916
  470    HB   ILE  62           HB       ILE  62  -7.695  -1.541  -2.324
  471   1HG1  ILE  62          2HG1      ILE  62  -9.685  -0.524  -1.231
  472   2HG1  ILE  62          1HG1      ILE  62  -8.534  -1.201  -0.074
  473   1HG2  ILE  62          1HG2      ILE  62  -5.912  -1.228  -0.867
  474   2HG2  ILE  62          2HG2      ILE  62  -6.265   0.482  -0.640
  475   3HG2  ILE  62          3HG2      ILE  62  -5.569  -0.079  -2.160
  476   1HD1  ILE  62          1HD1      ILE  62  -7.969   1.573  -0.584
  477   2HD1  ILE  62          2HD1      ILE  62  -8.320   0.755   0.938
  478   3HD1  ILE  62          3HD1      ILE  62  -9.640   1.349  -0.070
  479    H    GLY  63           H        GLY  63  -6.383   1.367  -4.849
  480   1HA   GLY  63          2HA       GLY  63  -5.383   0.487  -6.746
  481   2HA   GLY  63          1HA       GLY  63  -6.079  -1.079  -6.343
  482    H    GLN  64           H        GLN  64  -7.593  -1.810  -7.679
  483    HA   GLN  64           HA       GLN  64  -9.089   0.152  -9.292
  484   1HB   GLN  64          2HB       GLN  64  -8.218  -2.641 -10.054
  485   2HB   GLN  64          1HB       GLN  64  -9.235  -1.601 -11.041
  486   1HG   GLN  64          2HG       GLN  64  -6.886  -0.161 -10.337
  487   2HG   GLN  64          1HG       GLN  64  -6.416  -1.743 -10.957
  488   1HE2  GLN  64          1HE2      GLN  64  -7.291   1.376 -11.758
  489   2HE2  GLN  64          2HE2      GLN  64  -7.597   1.143 -13.443
  490    H    ARG  65           H        ARG  65  -9.857  -0.802  -6.714
  491    HA   ARG  65           HA       ARG  65 -12.499  -1.778  -7.361
  492   1HB   ARG  65          2HB       ARG  65 -10.803  -3.760  -6.920
  493   2HB   ARG  65          1HB       ARG  65 -11.081  -3.332  -5.238
  494   1HG   ARG  65          2HG       ARG  65 -12.544  -5.143  -6.004
  495   2HG   ARG  65          1HG       ARG  65 -13.451  -3.722  -5.488
  496   1HD   ARG  65          2HD       ARG  65 -12.746  -3.796  -8.343
  497   2HD   ARG  65          1HD       ARG  65 -13.864  -5.050  -7.813
  498    HE   ARG  65           HE       ARG  65 -14.431  -2.254  -7.144
  499   1HH1  ARG  65          1HH1      ARG  65 -15.256  -5.137  -8.945
  500   2HH1  ARG  65          2HH1      ARG  65 -16.834  -4.567  -9.363
  501   1HH2  ARG  65          1HH2      ARG  65 -16.506  -1.513  -7.702
  502   2HH2  ARG  65          2HH2      ARG  65 -17.543  -2.514  -8.663
  503    H    ARG  66           H        ARG  66 -13.888  -1.839  -5.322
  504    HA   ARG  66           HA       ARG  66 -12.970   0.272  -3.492
  505   1HB   ARG  66          2HB       ARG  66 -15.554  -0.199  -4.862
  506   2HB   ARG  66          1HB       ARG  66 -15.624   0.435  -3.222
  507   1HG   ARG  66          2HG       ARG  66 -15.652   2.237  -4.812
  508   2HG   ARG  66          1HG       ARG  66 -14.158   2.284  -3.887
  509   1HD   ARG  66          2HD       ARG  66 -13.678   2.712  -6.209
  510   2HD   ARG  66          1HD       ARG  66 -13.016   1.143  -5.756
  511    HE   ARG  66           HE       ARG  66 -15.421   0.486  -6.764
  512   1HH1  ARG  66          1HH1      ARG  66 -12.841   2.497  -7.983
  513   2HH1  ARG  66          2HH1      ARG  66 -13.205   2.171  -9.644
  514   1HH2  ARG  66          1HH2      ARG  66 -15.898   0.056  -8.950
  515   2HH2  ARG  66          2HH2      ARG  66 -14.938   0.787 -10.194
  516    H    PHE  67           H        PHE  67 -13.054  -0.048  -1.370
  517    HA   PHE  67           HA       PHE  67 -14.413  -2.427  -0.326
  518   1HB   PHE  67          2HB       PHE  67 -11.543  -1.641   0.179
  519   2HB   PHE  67          1HB       PHE  67 -12.412  -2.873   1.094
  520    HD1  PHE  67           1HD      PHE  67 -13.623  -4.672  -0.486
  521    HD2  PHE  67           2HD      PHE  67 -10.207  -2.361  -1.533
  522    HE1  PHE  67           1HE      PHE  67 -13.013  -6.347  -2.182
  523    HE2  PHE  67           2HE      PHE  67  -9.589  -4.032  -3.228
  524    HZ   PHE  67           HZ       PHE  67 -10.993  -6.028  -3.555
  525    H    HIS  68           H        HIS  68 -14.680  -2.408   2.031
  526    HA   HIS  68           HA       HIS  68 -15.359   0.264   2.943
  527   1HB   HIS  68          2HB       HIS  68 -16.303  -1.029   4.925
  528   2HB   HIS  68          1HB       HIS  68 -17.045  -1.328   3.360
  529    HD1  HIS  68           1HD      HIS  68 -14.043  -2.902   5.102
  530    HD2  HIS  68           2HD      HIS  68 -17.592  -3.965   3.218
  531    HE1  HIS  68           1HE      HIS  68 -14.088  -5.417   5.120
  532    HE2  HIS  68           2HE      HIS  68 -16.283  -6.035   4.048
  533    H    THR  69           H        THR  69 -12.652  -0.073   2.683
  534    HA   THR  69           HA       THR  69 -11.767   0.338   5.425
  535    HB   THR  69           HB       THR  69 -11.412  -2.089   4.801
  536    HG1  THR  69           1HG      THR  69  -9.018  -0.646   5.269
  537   1HG2  THR  69          1HG2      THR  69 -10.249  -2.748   3.039
  538   2HG2  THR  69          2HG2      THR  69  -8.963  -1.583   3.351
  539   3HG2  THR  69          3HG2      THR  69 -10.393  -1.096   2.442
  540    H    MET  70           H        MET  70  -9.730   1.524   5.542
  541    HA   MET  70           HA       MET  70  -9.046   2.842   2.998
  542   1HB   MET  70          2HB       MET  70 -10.372   4.307   4.462
  543   2HB   MET  70          1HB       MET  70  -9.171   4.127   5.731
  544   1HG   MET  70          2HG       MET  70  -7.620   4.988   3.692
  545   2HG   MET  70          1HG       MET  70  -9.143   5.794   3.315
  546   1HE   MET  70          1HE       MET  70  -8.656   8.920   5.185
  547   2HE   MET  70          2HE       MET  70  -9.804   7.962   4.251
  548   3HE   MET  70          3HE       MET  70  -8.174   8.235   3.633
  549    H    ASP  71           H        ASP  71  -7.282   4.005   5.678
  550    HA   ASP  71           HA       ASP  71  -4.902   2.634   4.694
  551   1HB   ASP  71          2HB       ASP  71  -5.197   4.933   6.639
  552   2HB   ASP  71          1HB       ASP  71  -3.666   4.297   6.035
  553    H    GLU  72           H        GLU  72  -7.101   1.605   6.643
  554    HA   GLU  72           HA       GLU  72  -5.388   0.904   8.913
  555   1HB   GLU  72          2HB       GLU  72  -8.262   0.071   8.601
  556   2HB   GLU  72          1HB       GLU  72  -7.334   0.283  10.078
  557   1HG   GLU  72          2HG       GLU  72  -7.258   2.751   9.500
  558   2HG   GLU  72          1HG       GLU  72  -8.487   2.394   8.288
  559    H    LEU  73           H        LEU  73  -6.575  -0.300   5.964
  560    HA   LEU  73           HA       LEU  73  -6.477  -3.078   6.561
  561   1HB   LEU  73          2HB       LEU  73  -6.523  -3.352   4.078
  562   2HB   LEU  73          1HB       LEU  73  -7.843  -2.402   4.734
  563    HG   LEU  73           HG       LEU  73  -7.280  -0.570   3.537
  564   1HD1  LEU  73          1HD1      LEU  73  -4.344  -1.187   3.781
  565   2HD1  LEU  73          2HD1      LEU  73  -5.242  -0.147   4.881
  566   3HD1  LEU  73          3HD1      LEU  73  -5.071   0.303   3.191
  567   1HD2  LEU  73          1HD2      LEU  73  -6.253  -1.022   1.424
  568   2HD2  LEU  73          2HD2      LEU  73  -7.223  -2.419   1.892
  569   3HD2  LEU  73          3HD2      LEU  73  -5.468  -2.465   2.064
  570    H    VAL  74           H        VAL  74  -4.019  -0.851   6.277
  571    HA   VAL  74           HA       VAL  74  -2.196  -2.620   4.924
  572    HB   VAL  74           HB       VAL  74  -1.085  -0.404   6.519
  573   1HG1  VAL  74          1HG1      VAL  74   0.281  -0.110   4.552
  574   2HG1  VAL  74          2HG1      VAL  74  -0.787  -1.149   3.610
  575   3HG1  VAL  74          3HG1      VAL  74   0.183  -1.832   4.913
  576   1HG2  VAL  74          1HG2      VAL  74  -2.893   0.110   4.158
  577   2HG2  VAL  74          2HG2      VAL  74  -1.776   1.293   4.833
  578   3HG2  VAL  74          3HG2      VAL  74  -3.114   0.694   5.806
  579    H    GLU  75           H        GLU  75  -3.459  -2.402   7.979
  580    HA   GLU  75           HA       GLU  75  -1.111  -3.359   9.392
  581   1HB   GLU  75          2HB       GLU  75  -2.885  -1.830  10.395
  582   2HB   GLU  75          1HB       GLU  75  -3.934  -3.241  10.448
  583   1HG   GLU  75          2HG       GLU  75  -2.081  -4.365  11.781
  584   2HG   GLU  75          1HG       GLU  75  -1.384  -2.754  11.947
  585    H    HIS  76           H        HIS  76  -4.015  -4.630   7.938
  586    HA   HIS  76           HA       HIS  76  -2.978  -7.314   8.168
  587   1HB   HIS  76          2HB       HIS  76  -4.129  -7.840  10.020
  588   2HB   HIS  76          1HB       HIS  76  -5.004  -6.319   9.985
  589    HD1  HIS  76           1HD      HIS  76  -7.157  -6.370   8.254
  590    HD2  HIS  76           2HD      HIS  76  -5.699 -10.007   9.638
  591    HE1  HIS  76           1HE      HIS  76  -9.011  -8.026   7.875
  592    HE2  HIS  76           2HE      HIS  76  -8.144 -10.197   8.813
  593    H    TYR  77           H        TYR  77  -3.997  -5.156   6.175
  594    HA   TYR  77           HA       TYR  77  -5.263  -5.009   4.292
  595   1HB   TYR  77          2HB       TYR  77  -4.820  -6.812   2.723
  596   2HB   TYR  77          1HB       TYR  77  -3.365  -6.353   3.605
  597    HD1  TYR  77           1HD      TYR  77  -2.549  -7.859   5.454
  598    HD2  TYR  77           2HD      TYR  77  -5.657  -9.025   2.792
  599    HE1  TYR  77           1HE      TYR  77  -2.200 -10.210   6.083
  600    HE2  TYR  77           2HE      TYR  77  -5.317 -11.378   3.416
  601    HH   TYR  77           HH       TYR  77  -3.511 -12.795   4.347
  602    H    LYS  78           H        LYS  78  -7.202  -4.848   5.586
  603    HA   LYS  78           HA       LYS  78  -8.946  -6.877   6.240
  604   1HB   LYS  78          2HB       LYS  78  -9.933  -4.290   5.053
  605   2HB   LYS  78          1HB       LYS  78 -10.675  -5.266   6.311
  606   1HG   LYS  78          2HG       LYS  78  -8.055  -4.398   7.129
  607   2HG   LYS  78          1HG       LYS  78  -9.045  -3.024   6.631
  608   1HD   LYS  78          2HD       LYS  78 -10.871  -4.159   8.104
  609   2HD   LYS  78          1HD       LYS  78  -9.497  -4.990   8.838
  610   1HE   LYS  78          2HE       LYS  78 -10.053  -2.979  10.089
  611   2HE   LYS  78          1HE       LYS  78  -8.463  -2.826   9.338
  612   1HZ   LYS  78          1HZ       LYS  78 -10.910  -1.760   8.061
  613   2HZ   LYS  78          2HZ       LYS  78  -9.298  -1.373   7.726
  614   3HZ   LYS  78          3HZ       LYS  78 -10.010  -0.849   9.168
  615    H    LYS  79           H        LYS  79  -9.456  -4.882   3.320
  616    HA   LYS  79           HA       LYS  79 -10.142  -7.354   1.880
  617   1HB   LYS  79          2HB       LYS  79 -11.584  -4.703   1.744
  618   2HB   LYS  79          1HB       LYS  79 -11.866  -6.046   0.642
  619   1HG   LYS  79          2HG       LYS  79 -12.037  -6.841   3.427
  620   2HG   LYS  79          1HG       LYS  79 -13.184  -5.574   3.004
  621   1HD   LYS  79          2HD       LYS  79 -12.874  -7.964   1.237
  622   2HD   LYS  79          1HD       LYS  79 -13.853  -8.069   2.700
  623   1HE   LYS  79          2HE       LYS  79 -15.509  -6.826   1.826
  624   2HE   LYS  79          1HE       LYS  79 -14.390  -5.707   1.050
  625   1HZ   LYS  79          1HZ       LYS  79 -14.428  -6.860  -0.863
  626   2HZ   LYS  79          2HZ       LYS  79 -15.910  -7.433  -0.283
  627   3HZ   LYS  79          3HZ       LYS  79 -14.512  -8.369  -0.101
  628    H    ALA  80           H        ALA  80  -7.742  -6.863   1.559
  629    HA   ALA  80           HA       ALA  80  -7.299  -5.015  -0.678
  630   1HB   ALA  80          1HB       ALA  80  -5.890  -5.195   1.602
  631   2HB   ALA  80          2HB       ALA  80  -5.193  -4.669   0.069
  632   3HB   ALA  80          3HB       ALA  80  -4.992  -6.338   0.604
  633    HA   PRO  81           HA       PRO  81  -6.733  -8.435  -3.459
  634   1HB   PRO  81          2HB       PRO  81  -4.901  -7.495  -5.182
  635   2HB   PRO  81          1HB       PRO  81  -6.533  -6.811  -5.122
  636   1HG   PRO  81          2HG       PRO  81  -4.019  -5.816  -3.805
  637   2HG   PRO  81          1HG       PRO  81  -5.189  -4.906  -4.796
  638   1HD   PRO  81          2HD       PRO  81  -5.291  -4.831  -2.108
  639   2HD   PRO  81          1HD       PRO  81  -6.773  -4.828  -3.087
  640    H    ILE  82           H        ILE  82  -4.786  -7.763  -1.036
  641    HA   ILE  82           HA       ILE  82  -2.274  -8.729  -1.654
  642    HB   ILE  82           HB       ILE  82  -3.824  -8.419   0.863
  643   1HG1  ILE  82          2HG1      ILE  82  -1.086  -7.407   0.138
  644   2HG1  ILE  82          1HG1      ILE  82  -2.543  -6.637  -0.490
  645   1HG2  ILE  82          1HG2      ILE  82  -1.315  -9.104   1.741
  646   2HG2  ILE  82          2HG2      ILE  82  -1.626 -10.302   0.489
  647   3HG2  ILE  82          3HG2      ILE  82  -2.748 -10.123   1.833
  648   1HD1  ILE  82          1HD1      ILE  82  -2.037  -7.045   2.430
  649   2HD1  ILE  82          2HD1      ILE  82  -3.243  -6.012   1.658
  650   3HD1  ILE  82          3HD1      ILE  82  -1.535  -5.613   1.542
  651    H    PHE  83           H        PHE  83  -1.827 -10.623  -2.439
  652    HA   PHE  83           HA       PHE  83  -3.037 -13.042  -1.322
  653   1HB   PHE  83          2HB       PHE  83  -4.411 -12.437  -3.261
  654   2HB   PHE  83          1HB       PHE  83  -2.970 -12.425  -4.282
  655    HD1  PHE  83           1HD      PHE  83  -5.209 -14.576  -2.288
  656    HD2  PHE  83           2HD      PHE  83  -2.092 -14.422  -5.180
  657    HE1  PHE  83           1HE      PHE  83  -5.537 -16.968  -2.762
  658    HE2  PHE  83           2HE      PHE  83  -2.413 -16.814  -5.660
  659    HZ   PHE  83           HZ       PHE  83  -4.139 -18.090  -4.451
  660    H    THR  84           H        THR  84  -1.933 -15.010  -1.802
  661    HA   THR  84           HA       THR  84   0.845 -14.671  -2.724
  662    HB   THR  84           HB       THR  84  -0.132 -16.325  -0.385
  663    HG1  THR  84           1HG      THR  84   1.187 -13.900  -0.641
  664   1HG2  THR  84          1HG2      THR  84   1.686 -17.430  -1.737
  665   2HG2  THR  84          2HG2      THR  84   2.052 -17.128  -0.038
  666   3HG2  THR  84          3HG2      THR  84   2.719 -16.074  -1.284
  667    H    SER  85           H        SER  85   1.330 -15.957  -4.395
  668    HA   SER  85           HA       SER  85  -0.469 -18.197  -4.979
  669   1HB   SER  85          2HB       SER  85   0.429 -16.186  -6.613
  670   2HB   SER  85          1HB       SER  85   1.524 -17.507  -7.021
  671    HG   SER  85           HG       SER  85  -1.278 -17.383  -7.256
  672    H    GLU  86           H        GLU  86   0.150 -20.214  -4.721
  673    HA   GLU  86           HA       GLU  86   1.420 -21.991  -4.046
  674   1HB   GLU  86          2HB       GLU  86   1.837 -21.668  -6.555
  675   2HB   GLU  86          1HB       GLU  86   3.404 -21.023  -6.088
  676   1HG   GLU  86          2HG       GLU  86   3.464 -23.408  -6.715
  677   2HG   GLU  86          1HG       GLU  86   4.028 -23.098  -5.074
  678    H    HIS  87           H        HIS  87   1.927 -19.610  -2.495
  679    HA   HIS  87           HA       HIS  87   3.413 -18.735  -1.001
  680   1HB   HIS  87          2HB       HIS  87   3.752 -21.626  -1.007
  681   2HB   HIS  87          1HB       HIS  87   5.216 -20.795  -0.492
  682    HD1  HIS  87           1HD      HIS  87   3.546 -22.511   1.467
  683    HD2  HIS  87           2HD      HIS  87   3.164 -18.397   1.024
  684    HE1  HIS  87           1HE      HIS  87   2.550 -21.692   3.626
  685    HE2  HIS  87           2HE      HIS  87   2.240 -19.213   3.298
  686    H    GLY  88           H        GLY  88   4.083 -18.656  -3.920
  687   1HA   GLY  88          2HA       GLY  88   7.019 -18.450  -3.739
  688   2HA   GLY  88          1HA       GLY  88   6.109 -18.647  -5.234
  689    H    GLU  89           H        GLU  89   4.239 -16.782  -5.236
  690    HA   GLU  89           HA       GLU  89   5.790 -14.290  -5.137
  691   1HB   GLU  89          2HB       GLU  89   4.304 -13.392  -6.758
  692   2HB   GLU  89          1HB       GLU  89   4.689 -15.020  -7.294
  693   1HG   GLU  89          2HG       GLU  89   2.575 -15.836  -6.595
  694   2HG   GLU  89          1HG       GLU  89   2.205 -14.328  -5.760
  695    H    LYS  90           H        LYS  90   5.109 -12.535  -3.949
  696    HA   LYS  90           HA       LYS  90   2.754 -12.990  -2.242
  697   1HB   LYS  90          2HB       LYS  90   5.508 -12.630  -1.502
  698   2HB   LYS  90          1HB       LYS  90   4.532 -11.320  -0.843
  699   1HG   LYS  90          2HG       LYS  90   4.389 -12.837   0.847
  700   2HG   LYS  90          1HG       LYS  90   2.967 -13.283  -0.095
  701   1HD   LYS  90          2HD       LYS  90   4.343 -15.021  -1.229
  702   2HD   LYS  90          1HD       LYS  90   5.668 -14.622  -0.135
  703   1HE   LYS  90          2HE       LYS  90   2.941 -15.461   0.822
  704   2HE   LYS  90          1HE       LYS  90   4.248 -16.606   0.523
  705   1HZ   LYS  90          1HZ       LYS  90   5.228 -14.522   2.127
  706   2HZ   LYS  90          2HZ       LYS  90   5.052 -16.157   2.522
  707   3HZ   LYS  90          3HZ       LYS  90   3.783 -15.079   2.813
  708    H    LEU  91           H        LEU  91   1.426 -11.364  -1.826
  709    HA   LEU  91           HA       LEU  91   2.084  -8.648  -2.748
  710   1HB   LEU  91          2HB       LEU  91   0.340 -10.169  -4.137
  711   2HB   LEU  91          1HB       LEU  91  -0.745  -9.540  -2.930
  712    HG   LEU  91           HG       LEU  91   0.285  -8.287  -5.326
  713   1HD1  LEU  91          1HD1      LEU  91  -1.588  -6.627  -4.379
  714   2HD1  LEU  91          2HD1      LEU  91  -1.982  -8.076  -3.455
  715   3HD1  LEU  91          3HD1      LEU  91  -1.959  -8.134  -5.217
  716   1HD2  LEU  91          1HD2      LEU  91   0.813  -6.946  -2.709
  717   2HD2  LEU  91          2HD2      LEU  91   0.361  -5.992  -4.121
  718   3HD2  LEU  91          3HD2      LEU  91   1.807  -7.000  -4.165
  719    H    TYR  92           H        TYR  92   2.532  -8.159  -0.603
  720    HA   TYR  92           HA       TYR  92   0.193  -8.113   1.188
  721   1HB   TYR  92          2HB       TYR  92   2.025  -9.864   1.686
  722   2HB   TYR  92          1HB       TYR  92   2.980  -8.487   2.234
  723    HD1  TYR  92           1HD      TYR  92   1.752  -6.916   3.964
  724    HD2  TYR  92           2HD      TYR  92   0.693 -10.968   3.219
  725    HE1  TYR  92           1HE      TYR  92   0.655  -7.026   6.162
  726    HE2  TYR  92           2HE      TYR  92  -0.408 -11.089   5.415
  727    HH   TYR  92           HH       TYR  92  -1.315  -8.540   7.162
  728    H    LEU  93           H        LEU  93  -0.091  -6.368   2.489
  729    HA   LEU  93           HA       LEU  93   1.381  -3.970   1.771
  730   1HB   LEU  93          2HB       LEU  93  -1.206  -4.544   3.157
  731   2HB   LEU  93          1HB       LEU  93  -0.424  -2.997   3.422
  732    HG   LEU  93           HG       LEU  93  -1.055  -4.004   0.651
  733   1HD1  LEU  93          1HD1      LEU  93  -3.062  -3.665   2.329
  734   2HD1  LEU  93          2HD1      LEU  93  -3.143  -3.099   0.660
  735   3HD1  LEU  93          3HD1      LEU  93  -2.768  -1.966   1.959
  736   1HD2  LEU  93          1HD2      LEU  93  -0.953  -1.163   1.447
  737   2HD2  LEU  93          2HD2      LEU  93  -0.536  -1.930  -0.082
  738   3HD2  LEU  93          3HD2      LEU  93   0.562  -2.047   1.293
  739    H    VAL  94           H        VAL  94   3.192  -5.301   2.939
  740    HA   VAL  94           HA       VAL  94   3.389  -5.564   5.663
  741    HB   VAL  94           HB       VAL  94   5.917  -4.974   5.237
  742   1HG1  VAL  94          1HG1      VAL  94   6.291  -7.236   4.489
  743   2HG1  VAL  94          2HG1      VAL  94   4.628  -7.357   3.914
  744   3HG1  VAL  94          3HG1      VAL  94   4.957  -7.213   5.641
  745   1HG2  VAL  94          1HG2      VAL  94   5.583  -5.795   2.473
  746   2HG2  VAL  94          2HG2      VAL  94   6.570  -4.505   3.158
  747   3HG2  VAL  94          3HG2      VAL  94   4.871  -4.213   2.789
  748    H    ARG  95           H        ARG  95   5.626  -3.090   4.628
  749    HA   ARG  95           HA       ARG  95   4.177  -0.884   5.649
  750   1HB   ARG  95          2HB       ARG  95   5.971  -2.331   7.520
  751   2HB   ARG  95          1HB       ARG  95   6.058  -0.560   7.509
  752   1HG   ARG  95          2HG       ARG  95   4.289  -0.498   8.828
  753   2HG   ARG  95          1HG       ARG  95   3.326  -1.230   7.540
  754   1HD   ARG  95          2HD       ARG  95   3.514  -3.353   8.428
  755   2HD   ARG  95          1HD       ARG  95   5.012  -2.974   9.282
  756    HE   ARG  95           HE       ARG  95   2.695  -1.555  10.245
  757   1HH1  ARG  95          1HH1      ARG  95   4.633  -4.445  10.539
  758   2HH1  ARG  95          2HH1      ARG  95   4.103  -4.785  12.152
  759   1HH2  ARG  95          1HH2      ARG  95   1.998  -2.000  12.362
  760   2HH2  ARG  95          2HH2      ARG  95   2.602  -3.398  13.187
  761    H    ALA  96           H        ALA  96   5.709   0.948   6.205
  762    HA   ALA  96           HA       ALA  96   7.259   1.475   3.873
  763   1HB   ALA  96          1HB       ALA  96   6.097   3.304   4.622
  764   2HB   ALA  96          2HB       ALA  96   7.699   3.619   5.293
  765   3HB   ALA  96          3HB       ALA  96   6.427   2.951   6.317
  766    H    LEU  97           H        LEU  97   9.382   1.329   3.583
  767    HA   LEU  97           HA       LEU  97  11.608   1.084   3.956
  768   1HB   LEU  97          2HB       LEU  97  11.179   1.700   6.862
  769   2HB   LEU  97          1HB       LEU  97  12.596   2.010   5.878
  770    HG   LEU  97           HG       LEU  97  10.056   3.571   6.085
  771   1HD1  LEU  97          1HD1      LEU  97  11.408   5.288   6.669
  772   2HD1  LEU  97          2HD1      LEU  97  12.711   4.775   5.597
  773   3HD1  LEU  97          3HD1      LEU  97  12.471   3.964   7.144
  774   1HD2  LEU  97          1HD2      LEU  97   9.928   3.516   3.813
  775   2HD2  LEU  97          2HD2      LEU  97  11.640   3.144   3.613
  776   3HD2  LEU  97          3HD2      LEU  97  11.133   4.792   3.981
  777    H    GLN  98           H        GLN  98  12.422  -0.875   3.857
  778    HA   GLN  98           HA       GLN  98  12.740  -2.585   6.050
  779   1HB   GLN  98          2HB       GLN  98  10.310  -2.918   5.807
  780   2HB   GLN  98          1HB       GLN  98  10.554  -3.436   4.145
  781   1HG   GLN  98          2HG       GLN  98  10.225  -5.302   5.726
  782   2HG   GLN  98          1HG       GLN  98  11.753  -5.377   4.852
  783   1HE2  GLN  98          1HE2      GLN  98  10.995  -3.319   7.602
  784   2HE2  GLN  98          2HE2      GLN  98  12.130  -4.037   8.687
  Start of MODEL    3
    1   1H    ARG   1          1HT       ARG   1   9.334   0.891  14.505
    2   2H    ARG   1          2HT       ARG   1   9.992   0.852  16.089
    3   3H    ARG   1          3HT       ARG   1  11.032   0.965  14.728
    4    HA   ARG   1           HA       ARG   1   8.994   2.991  15.286
    5   1HB   ARG   1          2HB       ARG   1  10.690   4.247  16.512
    6   2HB   ARG   1          1HB       ARG   1  10.386   2.703  17.297
    7   1HG   ARG   1          2HG       ARG   1  12.440   1.842  16.702
    8   2HG   ARG   1          1HG       ARG   1  12.632   2.958  15.349
    9   1HD   ARG   1          2HD       ARG   1  12.789   4.810  17.050
   10   2HD   ARG   1          1HD       ARG   1  12.878   3.560  18.289
   11    HE   ARG   1           HE       ARG   1  15.044   3.139  17.668
   12   1HH1  ARG   1          1HH1      ARG   1  13.511   5.089  15.212
   13   2HH1  ARG   1          2HH1      ARG   1  14.985   5.390  14.354
   14   1HH2  ARG   1          1HH2      ARG   1  16.983   3.533  16.540
   15   2HH2  ARG   1          2HH2      ARG   1  16.956   4.505  15.107
   16    H    GLU   2           H        GLU   2  10.030   1.762  12.840
   17    HA   GLU   2           HA       GLU   2  11.082   4.199  11.606
   18   1HB   GLU   2          2HB       GLU   2  12.801   2.192  12.153
   19   2HB   GLU   2          1HB       GLU   2  12.215   1.660  10.583
   20   1HG   GLU   2          2HG       GLU   2  14.245   2.972  10.368
   21   2HG   GLU   2          1HG       GLU   2  12.881   3.781   9.597
   22    H    TRP   3           H        TRP   3   8.968   4.470  10.778
   23    HA   TRP   3           HA       TRP   3   8.275   2.590   8.626
   24   1HB   TRP   3          2HB       TRP   3   6.216   4.290  10.011
   25   2HB   TRP   3          1HB       TRP   3   5.997   2.771   9.135
   26    HD1  TRP   3           HD       TRP   3   6.494   4.157  12.577
   27    HE1  TRP   3           1HE      TRP   3   6.643   2.237  14.285
   28    HE3  TRP   3           3HE      TRP   3   6.943   0.223   9.341
   29    HZ2  TRP   3           2HZ      TRP   3   6.912  -0.572  14.263
   30    HZ3  TRP   3           3HZ      TRP   3   7.140  -2.049  10.267
   31    HH2  TRP   3           HH       TRP   3   7.125  -2.437  12.678
   32    H    TYR   4           H        TYR   4   6.056   4.871   8.279
   33    HA   TYR   4           HA       TYR   4   7.582   6.276   6.261
   34   1HB   TYR   4          2HB       TYR   4   5.358   7.303   5.698
   35   2HB   TYR   4          1HB       TYR   4   5.395   5.543   5.592
   36    HD1  TYR   4           1HD      TYR   4   4.138   4.178   7.160
   37    HD2  TYR   4           2HD      TYR   4   4.085   8.423   7.439
   38    HE1  TYR   4           1HE      TYR   4   2.196   4.048   8.660
   39    HE2  TYR   4           2HE      TYR   4   2.144   8.305   8.942
   40    HH   TYR   4           HH       TYR   4   0.388   5.385   9.455
   41    H    TYR   5           H        TYR   5   8.729   7.992   6.831
   42    HA   TYR   5           HA       TYR   5   8.547   9.381   9.223
   43   1HB   TYR   5          2HB       TYR   5  10.448   9.381   7.522
   44   2HB   TYR   5          1HB       TYR   5   9.540  10.614   6.656
   45    HD1  TYR   5           1HD      TYR   5  11.922  11.691   7.126
   46    HD2  TYR   5           2HD      TYR   5   8.932  11.059  10.089
   47    HE1  TYR   5           1HE      TYR   5  12.949  13.428   8.529
   48    HE2  TYR   5           2HE      TYR   5   9.952  12.794  11.496
   49    HH   TYR   5           HH       TYR   5  12.940  13.885  11.200
   50    H    GLY   6           H        GLY   6   6.569   9.645   6.428
   51   1HA   GLY   6          2HA       GLY   6   4.426  10.848   7.088
   52   2HA   GLY   6          1HA       GLY   6   5.484  12.219   7.375
   53    H    ASN   7           H        ASN   7   6.865  10.712   4.878
   54    HA   ASN   7           HA       ASN   7   5.128  11.716   2.771
   55   1HB   ASN   7          2HB       ASN   7   8.011  12.614   2.923
   56   2HB   ASN   7          1HB       ASN   7   6.781  13.141   1.778
   57   1HD2  ASN   7          1HD2      ASN   7   4.779  14.077   2.905
   58   2HD2  ASN   7          2HD2      ASN   7   5.100  15.210   4.170
   59    H    VAL   8           H        VAL   8   5.101  10.266   1.160
   60    HA   VAL   8           HA       VAL   8   7.504   8.815   0.496
   61    HB   VAL   8           HB       VAL   8   5.378   6.877   0.612
   62   1HG1  VAL   8          1HG1      VAL   8   7.914   6.801   2.192
   63   2HG1  VAL   8          2HG1      VAL   8   7.952   6.676   0.437
   64   3HG1  VAL   8          3HG1      VAL   8   7.064   5.486   1.384
   65   1HG2  VAL   8          1HG2      VAL   8   5.035   6.666   2.941
   66   2HG2  VAL   8          2HG2      VAL   8   4.761   8.371   2.589
   67   3HG2  VAL   8          3HG2      VAL   8   6.283   7.854   3.311
   68    H    THR   9           H        THR   9   6.985   7.192  -1.355
   69    HA   THR   9           HA       THR   9   5.597   6.638  -3.221
   70    HB   THR   9           HB       THR   9   4.580   8.435  -4.596
   71    HG1  THR   9           1HG      THR   9   4.705  10.439  -4.006
   72   1HG2  THR   9          1HG2      THR   9   3.163   8.967  -2.190
   73   2HG2  THR   9          2HG2      THR   9   3.596   7.260  -2.288
   74   3HG2  THR   9          3HG2      THR   9   2.685   8.019  -3.593
   75    H    ARG  10           H        ARG  10   6.085   6.463  -5.266
   76    HA   ARG  10           HA       ARG  10   7.690   6.075  -6.852
   77   1HB   ARG  10          2HB       ARG  10   6.149   7.784  -7.648
   78   2HB   ARG  10          1HB       ARG  10   7.200   9.035  -7.013
   79   1HG   ARG  10          2HG       ARG  10   7.745   9.006  -9.257
   80   2HG   ARG  10          1HG       ARG  10   8.995   7.977  -8.547
   81   1HD   ARG  10          2HD       ARG  10   8.369   6.587 -10.222
   82   2HD   ARG  10          1HD       ARG  10   7.138   6.118  -9.051
   83    HE   ARG  10           HE       ARG  10   6.110   8.243 -10.512
   84   1HH1  ARG  10          1HH1      ARG  10   7.145   4.961 -11.089
   85   2HH1  ARG  10          2HH1      ARG  10   6.059   4.719 -12.416
   86   1HH2  ARG  10          1HH2      ARG  10   4.682   7.928 -12.259
   87   2HH2  ARG  10          2HH2      ARG  10   4.662   6.404 -13.083
   88    H    HIS  11           H        HIS  11   8.628   8.882  -4.940
   89    HA   HIS  11           HA       HIS  11  11.441   8.262  -5.577
   90   1HB   HIS  11          2HB       HIS  11  11.646  10.436  -6.075
   91   2HB   HIS  11          1HB       HIS  11   9.978  10.727  -5.608
   92    HD1  HIS  11           1HD      HIS  11   9.853  12.595  -4.015
   93    HD2  HIS  11           2HD      HIS  11  13.284  10.324  -3.433
   94    HE1  HIS  11           1HE      HIS  11  11.057  13.678  -2.091
   95    HE2  HIS  11           2HE      HIS  11  13.107  12.260  -1.726
   96    H    GLN  12           H        GLN  12   9.230   9.251  -3.004
   97    HA   GLN  12           HA       GLN  12  11.166   8.875  -0.925
   98   1HB   GLN  12          2HB       GLN  12   8.173   9.149  -0.909
   99   2HB   GLN  12          1HB       GLN  12   9.188   9.178   0.539
  100   1HG   GLN  12          2HG       GLN  12   9.489  11.339   0.287
  101   2HG   GLN  12          1HG       GLN  12  10.186  11.086  -1.312
  102   1HE2  GLN  12          1HE2      GLN  12   8.766  11.122  -3.131
  103   2HE2  GLN  12          2HE2      GLN  12   7.275  11.990  -3.064
  104    H    ALA  13           H        ALA  13   8.330   7.110  -2.129
  105    HA   ALA  13           HA       ALA  13   8.281   4.948  -0.407
  106   1HB   ALA  13          1HB       ALA  13   7.279   3.703  -2.321
  107   2HB   ALA  13          2HB       ALA  13   7.672   5.073  -3.360
  108   3HB   ALA  13          3HB       ALA  13   6.542   5.276  -2.020
  109    H    GLU  14           H        GLU  14  10.509   5.741  -2.965
  110    HA   GLU  14           HA       GLU  14  11.786   3.173  -3.123
  111   1HB   GLU  14          2HB       GLU  14  13.289   5.674  -3.725
  112   2HB   GLU  14          1HB       GLU  14  13.322   4.123  -4.555
  113   1HG   GLU  14          2HG       GLU  14  10.785   5.595  -4.659
  114   2HG   GLU  14          1HG       GLU  14  12.140   6.333  -5.496
  115    H    CYS  15           H        CYS  15  12.372   6.279  -1.638
  116    HA   CYS  15           HA       CYS  15  14.725   5.798  -0.269
  117   1HB   CYS  15          2HB       CYS  15  12.898   7.822  -0.273
  118   2HB   CYS  15          1HB       CYS  15  12.657   7.163   1.341
  119    HG   CYS  15           HG       CYS  15  14.545   9.096   1.168
  120    H    ALA  16           H        ALA  16  11.634   4.347   0.205
  121    HA   ALA  16           HA       ALA  16  12.389   3.222   2.798
  122   1HB   ALA  16          1HB       ALA  16  10.235   3.977   3.030
  123   2HB   ALA  16          2HB       ALA  16   9.930   2.314   2.524
  124   3HB   ALA  16          3HB       ALA  16   9.820   3.628   1.352
  125    H    LEU  17           H        LEU  17  11.674   2.312  -0.531
  126    HA   LEU  17           HA       LEU  17  12.108  -0.528   0.103
  127   1HB   LEU  17          2HB       LEU  17  11.363   0.605  -2.586
  128   2HB   LEU  17          1HB       LEU  17  11.201  -1.055  -2.029
  129    HG   LEU  17           HG       LEU  17   9.428   1.282  -1.577
  130   1HD1  LEU  17          1HD1      LEU  17   7.767  -0.644  -1.738
  131   2HD1  LEU  17          2HD1      LEU  17   9.150  -1.617  -2.241
  132   3HD1  LEU  17          3HD1      LEU  17   8.673  -0.206  -3.187
  133   1HD2  LEU  17          1HD2      LEU  17   9.630   0.917   0.678
  134   2HD2  LEU  17          2HD2      LEU  17  10.054  -0.783   0.473
  135   3HD2  LEU  17          3HD2      LEU  17   8.380  -0.262   0.277
  136    H    ASN  18           H        ASN  18  13.718   2.162  -0.996
  137    HA   ASN  18           HA       ASN  18  15.766   2.594  -1.828
  138   1HB   ASN  18          2HB       ASN  18  16.497   1.020  -0.168
  139   2HB   ASN  18          1HB       ASN  18  16.109  -0.327  -1.219
  140   1HD2  ASN  18          1HD2      ASN  18  18.119  -1.203  -1.373
  141   2HD2  ASN  18          2HD2      ASN  18  19.467  -0.406  -2.103
  142    H    GLU  19           H        GLU  19  13.511   1.422  -3.443
  143    HA   GLU  19           HA       GLU  19  14.615   1.696  -5.974
  144   1HB   GLU  19          2HB       GLU  19  15.104  -0.886  -4.852
  145   2HB   GLU  19          1HB       GLU  19  13.965  -1.069  -6.178
  146   1HG   GLU  19          2HG       GLU  19  15.536  -0.716  -7.709
  147   2HG   GLU  19          1HG       GLU  19  16.168   0.692  -6.855
  148    H    ARG  20           H        ARG  20  12.360  -0.700  -4.674
  149    HA   ARG  20           HA       ARG  20   9.940   0.261  -4.676
  150   1HB   ARG  20          2HB       ARG  20   8.991   0.138  -6.994
  151   2HB   ARG  20          1HB       ARG  20  10.103   1.476  -6.746
  152   1HG   ARG  20          2HG       ARG  20  11.362   0.784  -8.431
  153   2HG   ARG  20          1HG       ARG  20  11.565  -0.795  -7.671
  154   1HD   ARG  20          2HD       ARG  20   9.855  -1.745  -8.861
  155   2HD   ARG  20          1HD       ARG  20   9.000  -0.216  -9.058
  156    HE   ARG  20           HE       ARG  20  10.086   0.060 -11.038
  157   1HH1  ARG  20          1HH1      ARG  20  11.946  -2.147  -9.077
  158   2HH1  ARG  20          2HH1      ARG  20  13.097  -2.484 -10.326
  159   1HH2  ARG  20          1HH2      ARG  20  11.596  -0.385 -12.683
  160   2HH2  ARG  20          2HH2      ARG  20  12.899  -1.484 -12.373
  161    H    GLY  21           H        GLY  21  12.028  -2.179  -5.836
  162   1HA   GLY  21          2HA       GLY  21   9.934  -4.193  -5.370
  163   2HA   GLY  21          1HA       GLY  21  10.997  -4.311  -6.759
  164    H    VAL  22           H        VAL  22  11.307  -3.846  -3.219
  165    HA   VAL  22           HA       VAL  22  13.598  -5.698  -3.300
  166    HB   VAL  22           HB       VAL  22  14.241  -4.722  -1.097
  167   1HG1  VAL  22          1HG1      VAL  22  14.028  -2.603  -3.222
  168   2HG1  VAL  22          2HG1      VAL  22  15.142  -3.967  -3.330
  169   3HG1  VAL  22          3HG1      VAL  22  15.292  -2.808  -2.009
  170   1HG2  VAL  22          1HG2      VAL  22  12.127  -3.880  -0.333
  171   2HG2  VAL  22          2HG2      VAL  22  12.005  -2.800  -1.721
  172   3HG2  VAL  22          3HG2      VAL  22  13.242  -2.524  -0.496
  173    H    GLU  23           H        GLU  23  13.314  -7.647  -2.498
  174    HA   GLU  23           HA       GLU  23  12.293  -9.448  -1.548
  175   1HB   GLU  23          2HB       GLU  23  11.721  -8.798   1.020
  176   2HB   GLU  23          1HB       GLU  23  13.326  -9.214   0.440
  177   1HG   GLU  23          2HG       GLU  23  13.729  -6.767   0.084
  178   2HG   GLU  23          1HG       GLU  23  12.200  -6.466   0.908
  179    H    GLY  24           H        GLY  24  10.450  -7.313   0.545
  180   1HA   GLY  24          2HA       GLY  24   8.061  -7.382  -1.035
  181   2HA   GLY  24          1HA       GLY  24   8.021  -8.551   0.285
  182    H    ASP  25           H        ASP  25   8.477  -5.123  -0.451
  183    HA   ASP  25           HA       ASP  25   7.520  -4.503   2.263
  184   1HB   ASP  25          2HB       ASP  25   9.876  -3.688   0.939
  185   2HB   ASP  25          1HB       ASP  25   8.838  -2.270   1.023
  186    H    PHE  26           H        PHE  26   5.925  -3.044   2.547
  187    HA   PHE  26           HA       PHE  26   4.756  -1.734   0.184
  188   1HB   PHE  26          2HB       PHE  26   3.584  -3.874   1.443
  189   2HB   PHE  26          1HB       PHE  26   2.828  -2.524   2.255
  190    HD1  PHE  26           1HD      PHE  26   1.565  -4.674   0.422
  191    HD2  PHE  26           2HD      PHE  26   2.919  -0.705  -0.269
  192    HE1  PHE  26           1HE      PHE  26  -0.048  -4.453  -1.418
  193    HE2  PHE  26           2HE      PHE  26   1.307  -0.476  -2.113
  194    HZ   PHE  26           HZ       PHE  26  -0.183  -2.348  -2.686
  195    H    LEU  27           H        LEU  27   4.140   0.326   0.523
  196    HA   LEU  27           HA       LEU  27   3.962   1.290   3.277
  197   1HB   LEU  27          2HB       LEU  27   5.309   3.292   2.745
  198   2HB   LEU  27          1HB       LEU  27   6.230   1.799   2.714
  199    HG   LEU  27           HG       LEU  27   5.737   1.949   0.112
  200   1HD1  LEU  27          1HD1      LEU  27   6.154   4.653  -0.116
  201   2HD1  LEU  27          2HD1      LEU  27   4.904   4.538   1.124
  202   3HD1  LEU  27          3HD1      LEU  27   4.649   3.802  -0.457
  203   1HD2  LEU  27          1HD2      LEU  27   7.811   3.644   1.485
  204   2HD2  LEU  27          2HD2      LEU  27   7.885   3.021  -0.164
  205   3HD2  LEU  27          3HD2      LEU  27   7.937   1.907   1.203
  206    H    ILE  28           H        ILE  28   2.130   2.288   3.557
  207    HA   ILE  28           HA       ILE  28   0.895   3.672   1.277
  208    HB   ILE  28           HB       ILE  28  -0.472   1.808   2.184
  209   1HG1  ILE  28          2HG1      ILE  28  -1.792   4.436   2.834
  210   2HG1  ILE  28          1HG1      ILE  28  -1.477   3.910   1.178
  211   1HG2  ILE  28          1HG2      ILE  28  -1.516   2.919   4.516
  212   2HG2  ILE  28          2HG2      ILE  28   0.240   2.964   4.674
  213   3HG2  ILE  28          3HG2      ILE  28  -0.578   1.440   4.331
  214   1HD1  ILE  28          1HD1      ILE  28  -3.226   2.557   3.219
  215   2HD1  ILE  28          2HD1      ILE  28  -2.810   1.862   1.653
  216   3HD1  ILE  28          3HD1      ILE  28  -3.734   3.361   1.734
  217    H    ARG  29           H        ARG  29   0.330   5.806   1.507
  218    HA   ARG  29           HA       ARG  29   0.946   7.049   4.103
  219   1HB   ARG  29          2HB       ARG  29   1.659   8.922   2.160
  220   2HB   ARG  29          1HB       ARG  29   2.742   8.005   3.200
  221   1HG   ARG  29          2HG       ARG  29   3.253   6.477   1.552
  222   2HG   ARG  29          1HG       ARG  29   1.761   6.779   0.660
  223   1HD   ARG  29          2HD       ARG  29   4.098   8.657   0.885
  224   2HD   ARG  29          1HD       ARG  29   3.709   7.673  -0.517
  225    HE   ARG  29           HE       ARG  29   1.899   9.092  -0.981
  226   1HH1  ARG  29          1HH1      ARG  29   3.463  10.043   1.996
  227   2HH1  ARG  29          2HH1      ARG  29   2.798  11.640   1.977
  228   1HH2  ARG  29          1HH2      ARG  29   1.018  11.191  -0.993
  229   2HH2  ARG  29          2HH2      ARG  29   1.409  12.289   0.288
  230    H    ASP  30           H        ASP  30   0.005   9.128   4.476
  231    HA   ASP  30           HA       ASP  30  -2.649   9.326   3.335
  232   1HB   ASP  30          2HB       ASP  30  -1.438  11.100   5.455
  233   2HB   ASP  30          1HB       ASP  30  -3.147  10.849   5.111
  234    H    SER  31           H        SER  31  -3.018  10.505   1.580
  235    HA   SER  31           HA       SER  31  -1.143  12.612   0.842
  236   1HB   SER  31          2HB       SER  31  -3.138  10.954  -0.593
  237   2HB   SER  31          1HB       SER  31  -2.912  12.595  -1.197
  238    HG   SER  31           HG       SER  31  -1.416  10.546  -1.724
  239    H    GLU  32           H        GLU  32  -1.642  14.752   0.699
  240    HA   GLU  32           HA       GLU  32  -3.971  15.627   2.170
  241   1HB   GLU  32          2HB       GLU  32  -1.506  16.945   1.109
  242   2HB   GLU  32          1HB       GLU  32  -2.892  17.939   1.537
  243   1HG   GLU  32          2HG       GLU  32  -2.732  16.455   3.752
  244   2HG   GLU  32          1HG       GLU  32  -1.040  16.417   3.258
  245    H    SER  33           H        SER  33  -3.315  14.980  -1.069
  246    HA   SER  33           HA       SER  33  -4.517  17.000  -2.504
  247   1HB   SER  33          2HB       SER  33  -4.910  15.386  -4.248
  248   2HB   SER  33          1HB       SER  33  -3.392  14.965  -3.455
  249    HG   SER  33           HG       SER  33  -4.405  13.303  -2.408
  250    H    SER  34           H        SER  34  -6.072  14.244  -0.905
  251    HA   SER  34           HA       SER  34  -8.629  15.692  -1.095
  252   1HB   SER  34          2HB       SER  34  -8.019  13.182  -2.250
  253   2HB   SER  34          1HB       SER  34  -9.074  12.858  -0.874
  254    HG   SER  34           HG       SER  34 -10.565  13.380  -2.279
  255    HA   PRO  35           HA       PRO  35  -9.074  15.030   3.235
  256   1HB   PRO  35          2HB       PRO  35 -11.670  14.440   3.601
  257   2HB   PRO  35          1HB       PRO  35 -11.146  16.027   3.024
  258   1HG   PRO  35          2HG       PRO  35 -12.224  13.707   1.467
  259   2HG   PRO  35          1HG       PRO  35 -12.605  15.432   1.312
  260   1HD   PRO  35          2HD       PRO  35 -10.861  14.117  -0.331
  261   2HD   PRO  35          1HD       PRO  35 -10.749  15.851   0.029
  262    H    SER  36           H        SER  36  -9.318  12.380   1.208
  263    HA   SER  36           HA       SER  36  -8.804  10.566   3.379
  264   1HB   SER  36          2HB       SER  36 -11.425  10.591   1.967
  265   2HB   SER  36          1HB       SER  36 -10.702   9.018   2.304
  266    HG   SER  36           HG       SER  36 -11.940  10.721   3.988
  267    H    ASP  37           H        ASP  37  -7.394  11.525   1.053
  268    HA   ASP  37           HA       ASP  37  -7.316   9.158  -0.677
  269   1HB   ASP  37          2HB       ASP  37  -6.940  11.961  -1.117
  270   2HB   ASP  37          1HB       ASP  37  -5.449  11.116  -1.550
  271    H    PHE  38           H        PHE  38  -5.798   7.668  -0.453
  272    HA   PHE  38           HA       PHE  38  -3.273   8.372   0.885
  273   1HB   PHE  38          2HB       PHE  38  -4.777   5.767   1.253
  274   2HB   PHE  38          1HB       PHE  38  -3.285   6.250   2.067
  275    HD1  PHE  38           1HD      PHE  38  -4.234   9.168   2.521
  276    HD2  PHE  38           2HD      PHE  38  -6.006   5.380   3.276
  277    HE1  PHE  38           1HE      PHE  38  -5.551  10.160   4.343
  278    HE2  PHE  38           2HE      PHE  38  -7.328   6.365   5.104
  279    HZ   PHE  38           HZ       PHE  38  -7.103   8.755   5.639
  280    H    SER  39           H        SER  39  -1.440   6.966   0.291
  281    HA   SER  39           HA       SER  39  -1.851   5.587  -2.285
  282   1HB   SER  39          2HB       SER  39  -0.884   7.911  -2.567
  283   2HB   SER  39          1HB       SER  39   0.545   7.335  -1.710
  284    HG   SER  39           HG       SER  39  -0.470   6.012  -3.992
  285    H    VAL  40           H        VAL  40  -0.688   3.687  -2.578
  286    HA   VAL  40           HA       VAL  40   1.452   3.133  -0.690
  287    HB   VAL  40           HB       VAL  40  -0.621   2.327   0.404
  288   1HG1  VAL  40          1HG1      VAL  40  -0.671   0.201  -1.709
  289   2HG1  VAL  40          2HG1      VAL  40  -1.769   1.582  -1.665
  290   3HG1  VAL  40          3HG1      VAL  40  -1.782   0.403  -0.353
  291   1HG2  VAL  40          1HG2      VAL  40   1.817   0.845  -0.082
  292   2HG2  VAL  40          2HG2      VAL  40   0.471  -0.199   0.383
  293   3HG2  VAL  40          3HG2      VAL  40   0.954   1.131   1.425
  294    H    SER  41           H        SER  41   3.098   2.119  -1.555
  295    HA   SER  41           HA       SER  41   2.703   0.697  -4.116
  296   1HB   SER  41          2HB       SER  41   4.942   2.463  -3.155
  297   2HB   SER  41          1HB       SER  41   5.204   1.285  -4.441
  298    HG   SER  41           HG       SER  41   3.086   3.153  -4.536
  299    H    LEU  42           H        LEU  42   3.528  -1.341  -4.357
  300    HA   LEU  42           HA       LEU  42   5.006  -2.477  -2.066
  301   1HB   LEU  42          2HB       LEU  42   2.648  -3.229  -2.229
  302   2HB   LEU  42          1HB       LEU  42   3.001  -3.917  -3.796
  303    HG   LEU  42           HG       LEU  42   4.668  -5.414  -2.683
  304   1HD1  LEU  42          1HD1      LEU  42   5.161  -5.277  -0.511
  305   2HD1  LEU  42          2HD1      LEU  42   3.476  -5.054  -0.049
  306   3HD1  LEU  42          3HD1      LEU  42   4.434  -3.675  -0.589
  307   1HD2  LEU  42          1HD2      LEU  42   2.026  -5.818  -1.353
  308   2HD2  LEU  42          2HD2      LEU  42   3.092  -6.996  -2.115
  309   3HD2  LEU  42          3HD2      LEU  42   2.142  -5.893  -3.111
  310    H    LYS  43           H        LYS  43   6.326  -4.336  -2.514
  311    HA   LYS  43           HA       LYS  43   7.719  -4.087  -5.061
  312   1HB   LYS  43          2HB       LYS  43   9.500  -4.436  -3.744
  313   2HB   LYS  43          1HB       LYS  43   8.452  -4.732  -2.373
  314   1HG   LYS  43          2HG       LYS  43   9.910  -6.598  -2.616
  315   2HG   LYS  43          1HG       LYS  43   8.291  -7.112  -3.078
  316   1HD   LYS  43          2HD       LYS  43   8.973  -7.666  -5.127
  317   2HD   LYS  43          1HD       LYS  43   9.755  -6.104  -5.358
  318   1HE   LYS  43          2HE       LYS  43  11.673  -6.987  -3.990
  319   2HE   LYS  43          1HE       LYS  43  10.905  -8.569  -4.065
  320   1HZ   LYS  43          1HZ       LYS  43  12.098  -8.810  -5.920
  321   2HZ   LYS  43          2HZ       LYS  43  12.397  -7.153  -6.079
  322   3HZ   LYS  43          3HZ       LYS  43  10.948  -7.809  -6.653
  323    H    ALA  44           H        ALA  44   7.918  -5.718  -6.568
  324    HA   ALA  44           HA       ALA  44   6.532  -8.253  -6.051
  325   1HB   ALA  44          1HB       ALA  44   4.846  -7.589  -7.370
  326   2HB   ALA  44          2HB       ALA  44   5.978  -7.813  -8.705
  327   3HB   ALA  44          3HB       ALA  44   5.758  -6.215  -7.996
  328    H    SER  45           H        SER  45   6.936  -9.582  -8.348
  329    HA   SER  45           HA       SER  45   9.687 -10.205  -8.280
  330   1HB   SER  45          2HB       SER  45   7.501 -11.509  -9.186
  331   2HB   SER  45          1HB       SER  45   8.163 -10.940 -10.718
  332    HG   SER  45           HG       SER  45   8.924 -13.050  -9.876
  333    H    GLY  46           H        GLY  46  10.649  -8.116  -8.588
  334   1HA   GLY  46          2HA       GLY  46  11.918  -6.719  -9.893
  335   2HA   GLY  46          1HA       GLY  46  11.426  -7.644 -11.304
  336    H    LYS  47           H        LYS  47   8.567  -6.988 -10.153
  337    HA   LYS  47           HA       LYS  47   8.348  -4.418 -11.526
  338   1HB   LYS  47          2HB       LYS  47   6.734  -6.881 -11.480
  339   2HB   LYS  47          1HB       LYS  47   5.813  -5.398 -11.393
  340   1HG   LYS  47          2HG       LYS  47   7.670  -6.298 -13.572
  341   2HG   LYS  47          1HG       LYS  47   5.935  -6.008 -13.674
  342   1HD   LYS  47          2HD       LYS  47   8.084  -3.928 -13.261
  343   2HD   LYS  47          1HD       LYS  47   7.152  -4.198 -14.731
  344   1HE   LYS  47          2HE       LYS  47   5.384  -3.824 -12.499
  345   2HE   LYS  47          1HE       LYS  47   6.533  -2.490 -12.592
  346   1HZ   LYS  47          1HZ       LYS  47   5.848  -2.670 -15.135
  347   2HZ   LYS  47          2HZ       LYS  47   4.997  -1.714 -14.030
  348   3HZ   LYS  47          3HZ       LYS  47   4.416  -3.248 -14.443
  349    H    ASN  48           H        ASN  48   6.536  -3.016 -10.720
  350    HA   ASN  48           HA       ASN  48   6.203  -3.282  -7.806
  351   1HB   ASN  48          2HB       ASN  48   7.784  -1.509  -8.175
  352   2HB   ASN  48          1HB       ASN  48   6.755  -0.774  -9.404
  353   1HD2  ASN  48          1HD2      ASN  48   4.983   0.425  -8.779
  354   2HD2  ASN  48          2HD2      ASN  48   4.733   0.942  -7.150
  355    H    LYS  49           H        LYS  49   4.266  -2.453  -6.924
  356    HA   LYS  49           HA       LYS  49   2.125  -1.976  -8.879
  357   1HB   LYS  49          2HB       LYS  49   0.594  -3.294  -7.621
  358   2HB   LYS  49          1HB       LYS  49   2.012  -4.260  -7.989
  359   1HG   LYS  49          2HG       LYS  49   2.732  -3.325  -5.589
  360   2HG   LYS  49          1HG       LYS  49   0.977  -3.328  -5.396
  361   1HD   LYS  49          2HD       LYS  49   1.229  -5.494  -4.883
  362   2HD   LYS  49          1HD       LYS  49   1.403  -5.700  -6.629
  363   1HE   LYS  49          2HE       LYS  49   3.499  -5.681  -4.501
  364   2HE   LYS  49          1HE       LYS  49   3.264  -6.814  -5.833
  365   1HZ   LYS  49          1HZ       LYS  49   4.368  -4.069  -5.967
  366   2HZ   LYS  49          2HZ       LYS  49   3.911  -4.941  -7.339
  367   3HZ   LYS  49          3HZ       LYS  49   5.146  -5.515  -6.344
  368    H    HIS  50           H        HIS  50   1.585   0.111  -8.633
  369    HA   HIS  50           HA       HIS  50   1.296   1.139  -5.888
  370   1HB   HIS  50          2HB       HIS  50   1.479   3.419  -7.067
  371   2HB   HIS  50          1HB       HIS  50   2.943   2.462  -6.891
  372    HD1  HIS  50           1HD      HIS  50   0.417   1.745  -9.573
  373    HD2  HIS  50           2HD      HIS  50   4.164   3.494  -9.162
  374    HE1  HIS  50           1HE      HIS  50   1.262   2.082 -11.917
  375    HE2  HIS  50           2HE      HIS  50   3.486   3.233 -11.645
  376    H    PHE  51           H        PHE  51  -0.557   2.194  -5.302
  377    HA   PHE  51           HA       PHE  51  -2.626   2.655  -7.290
  378   1HB   PHE  51          2HB       PHE  51  -3.675   1.221  -4.939
  379   2HB   PHE  51          1HB       PHE  51  -4.134   1.101  -6.631
  380    HD1  PHE  51           1HD      PHE  51  -1.309   0.191  -4.373
  381    HD2  PHE  51           2HD      PHE  51  -3.692  -0.851  -7.741
  382    HE1  PHE  51           1HE      PHE  51  -0.145  -1.969  -4.526
  383    HE2  PHE  51           2HE      PHE  51  -2.532  -3.015  -7.898
  384    HZ   PHE  51           HZ       PHE  51  -0.759  -3.578  -6.286
  385    H    LYS  52           H        LYS  52  -4.421   3.871  -6.503
  386    HA   LYS  52           HA       LYS  52  -3.715   5.559  -4.202
  387   1HB   LYS  52          2HB       LYS  52  -3.996   6.546  -6.575
  388   2HB   LYS  52          1HB       LYS  52  -5.716   6.285  -6.322
  389   1HG   LYS  52          2HG       LYS  52  -5.295   7.607  -4.109
  390   2HG   LYS  52          1HG       LYS  52  -3.874   8.196  -4.975
  391   1HD   LYS  52          2HD       LYS  52  -6.742   8.393  -5.893
  392   2HD   LYS  52          1HD       LYS  52  -5.749   9.715  -5.278
  393   1HE   LYS  52          2HE       LYS  52  -4.758  10.023  -7.257
  394   2HE   LYS  52          1HE       LYS  52  -4.487   8.296  -7.483
  395   1HZ   LYS  52          1HZ       LYS  52  -6.156   9.735  -8.973
  396   2HZ   LYS  52          2HZ       LYS  52  -7.231   9.190  -7.787
  397   3HZ   LYS  52          3HZ       LYS  52  -6.347   8.075  -8.701
  398    H    VAL  53           H        VAL  53  -5.128   5.811  -2.549
  399    HA   VAL  53           HA       VAL  53  -7.616   4.250  -2.685
  400    HB   VAL  53           HB       VAL  53  -6.039   4.911  -0.195
  401   1HG1  VAL  53          1HG1      VAL  53  -7.404   3.108   0.807
  402   2HG1  VAL  53          2HG1      VAL  53  -8.330   3.017  -0.690
  403   3HG1  VAL  53          3HG1      VAL  53  -8.365   4.489   0.278
  404   1HG2  VAL  53          1HG2      VAL  53  -4.626   3.486  -1.414
  405   2HG2  VAL  53          2HG2      VAL  53  -5.973   2.503  -1.989
  406   3HG2  VAL  53          3HG2      VAL  53  -5.483   2.425  -0.296
  407    H    GLN  54           H        GLN  54  -9.275   5.588  -2.980
  408    HA   GLN  54           HA       GLN  54  -9.419   8.046  -1.352
  409   1HB   GLN  54          2HB       GLN  54  -9.044   8.306  -3.893
  410   2HB   GLN  54          1HB       GLN  54 -10.714   7.777  -4.052
  411   1HG   GLN  54          2HG       GLN  54 -11.395   9.651  -2.582
  412   2HG   GLN  54          1HG       GLN  54  -9.723  10.208  -2.582
  413   1HE2  GLN  54          1HE2      GLN  54  -8.789  10.813  -4.632
  414   2HE2  GLN  54          2HE2      GLN  54  -9.804  11.455  -5.874
  415    H    LEU  55           H        LEU  55 -11.377   8.599  -0.483
  416    HA   LEU  55           HA       LEU  55 -13.219   6.398  -0.159
  417   1HB   LEU  55          2HB       LEU  55 -13.108   7.273   1.897
  418   2HB   LEU  55          1HB       LEU  55 -12.454   8.790   1.306
  419    HG   LEU  55           HG       LEU  55 -14.594   8.931   2.621
  420   1HD1  LEU  55          1HD1      LEU  55 -15.457  10.176   0.199
  421   2HD1  LEU  55          2HD1      LEU  55 -13.707  10.332   0.364
  422   3HD1  LEU  55          3HD1      LEU  55 -14.770  10.902   1.651
  423   1HD2  LEU  55          1HD2      LEU  55 -16.507   7.963   1.969
  424   2HD2  LEU  55          2HD2      LEU  55 -15.462   6.904   1.025
  425   3HD2  LEU  55          3HD2      LEU  55 -16.216   8.304   0.263
  426    H    VAL  56           H        VAL  56 -14.822   6.095  -1.521
  427    HA   VAL  56           HA       VAL  56 -16.010   8.411  -2.891
  428    HB   VAL  56           HB       VAL  56 -14.986   6.031  -3.954
  429   1HG1  VAL  56          1HG1      VAL  56 -17.102   4.949  -3.281
  430   2HG1  VAL  56          2HG1      VAL  56 -16.864   4.971  -5.028
  431   3HG1  VAL  56          3HG1      VAL  56 -17.977   6.112  -4.276
  432   1HG2  VAL  56          1HG2      VAL  56 -16.383   8.446  -4.918
  433   2HG2  VAL  56          2HG2      VAL  56 -16.334   7.075  -6.026
  434   3HG2  VAL  56          3HG2      VAL  56 -14.833   7.760  -5.403
  435    H    ASP  57           H        ASP  57 -18.171   8.742  -2.834
  436    HA   ASP  57           HA       ASP  57 -20.172   8.808  -1.662
  437   1HB   ASP  57          2HB       ASP  57 -21.632   6.982  -2.454
  438   2HB   ASP  57          1HB       ASP  57 -20.643   7.661  -3.747
  439    H    ASN  58           H        ASN  58 -18.484   8.316   0.350
  440    HA   ASN  58           HA       ASN  58 -18.420   7.524   2.488
  441   1HB   ASN  58          2HB       ASN  58 -21.002   7.777   2.110
  442   2HB   ASN  58          1HB       ASN  58 -20.979   6.017   2.081
  443   1HD2  ASN  58          1HD2      ASN  58 -20.657   4.896   3.945
  444   2HD2  ASN  58          2HD2      ASN  58 -20.579   5.638   5.503
  445    H    VAL  59           H        VAL  59 -17.306   6.039   0.275
  446    HA   VAL  59           HA       VAL  59 -17.053   3.438   1.580
  447    HB   VAL  59           HB       VAL  59 -18.081   3.908  -1.145
  448   1HG1  VAL  59          1HG1      VAL  59 -15.974   3.116  -1.868
  449   2HG1  VAL  59          2HG1      VAL  59 -17.080   1.746  -1.958
  450   3HG1  VAL  59          3HG1      VAL  59 -15.935   1.868  -0.622
  451   1HG2  VAL  59          1HG2      VAL  59 -18.989   2.619   1.035
  452   2HG2  VAL  59          2HG2      VAL  59 -18.262   1.274   0.157
  453   3HG2  VAL  59          3HG2      VAL  59 -19.512   2.254  -0.609
  454    H    TYR  60           H        TYR  60 -15.026   2.428   1.249
  455    HA   TYR  60           HA       TYR  60 -12.946   4.321   0.465
  456   1HB   TYR  60          2HB       TYR  60 -12.782   1.685   1.933
  457   2HB   TYR  60          1HB       TYR  60 -11.408   2.739   1.591
  458    HD1  TYR  60           1HD      TYR  60 -13.105   1.713   4.226
  459    HD2  TYR  60           2HD      TYR  60 -12.427   5.392   2.199
  460    HE1  TYR  60           1HE      TYR  60 -13.532   2.936   6.316
  461    HE2  TYR  60           2HE      TYR  60 -12.852   6.626   4.284
  462    HH   TYR  60           HH       TYR  60 -14.241   5.192   7.022
  463    H    CYS  61           H        CYS  61 -11.924   4.183  -1.411
  464    HA   CYS  61           HA       CYS  61 -12.211   1.721  -2.994
  465   1HB   CYS  61          2HB       CYS  61 -13.141   3.597  -4.142
  466   2HB   CYS  61          1HB       CYS  61 -11.741   4.597  -3.784
  467    HG   CYS  61           HG       CYS  61 -11.279   2.196  -5.664
  468    H    ILE  62           H        ILE  62 -10.478   0.517  -3.462
  469    HA   ILE  62           HA       ILE  62  -7.806   1.643  -2.892
  470    HB   ILE  62           HB       ILE  62  -8.257  -1.313  -3.004
  471   1HG1  ILE  62          2HG1      ILE  62 -10.011  -0.421  -1.486
  472   2HG1  ILE  62          1HG1      ILE  62  -8.815  -1.413  -0.645
  473   1HG2  ILE  62          1HG2      ILE  62  -6.149   0.505  -2.204
  474   2HG2  ILE  62          2HG2      ILE  62  -6.078  -1.225  -2.538
  475   3HG2  ILE  62          3HG2      ILE  62  -6.522  -0.656  -0.930
  476   1HD1  ILE  62          1HD1      ILE  62  -9.487   1.410  -0.324
  477   2HD1  ILE  62          2HD1      ILE  62  -7.756   1.078  -0.379
  478   3HD1  ILE  62          3HD1      ILE  62  -8.771   0.270   0.815
  479    H    GLY  63           H        GLY  63  -6.822   2.169  -4.741
  480   1HA   GLY  63          2HA       GLY  63  -5.881   1.928  -6.827
  481   2HA   GLY  63          1HA       GLY  63  -6.289   0.216  -6.743
  482    H    GLN  64           H        GLN  64  -8.064  -0.536  -7.811
  483    HA   GLN  64           HA       GLN  64  -9.778   1.445  -9.149
  484   1HB   GLN  64          2HB       GLN  64  -9.746   0.133 -11.195
  485   2HB   GLN  64          1HB       GLN  64  -8.108   0.589 -10.751
  486   1HG   GLN  64          2HG       GLN  64  -8.847  -1.969  -9.627
  487   2HG   GLN  64          1HG       GLN  64  -9.018  -1.947 -11.381
  488   1HE2  GLN  64          1HE2      GLN  64  -7.265  -3.583 -11.080
  489   2HE2  GLN  64          2HE2      GLN  64  -5.636  -3.008 -11.075
  490    H    ARG  65           H        ARG  65 -10.490   0.263  -6.800
  491    HA   ARG  65           HA       ARG  65 -12.881  -1.151  -7.563
  492   1HB   ARG  65          2HB       ARG  65 -10.565  -2.561  -6.416
  493   2HB   ARG  65          1HB       ARG  65 -12.081  -2.859  -5.578
  494   1HG   ARG  65          2HG       ARG  65 -13.104  -3.685  -7.567
  495   2HG   ARG  65          1HG       ARG  65 -11.725  -3.183  -8.546
  496   1HD   ARG  65          2HD       ARG  65 -11.803  -5.351  -6.458
  497   2HD   ARG  65          1HD       ARG  65 -11.566  -5.540  -8.194
  498    HE   ARG  65           HE       ARG  65  -9.511  -3.932  -7.402
  499   1HH1  ARG  65          1HH1      ARG  65 -10.669  -7.084  -6.449
  500   2HH1  ARG  65          2HH1      ARG  65  -9.100  -7.659  -5.990
  501   1HH2  ARG  65          1HH2      ARG  65  -7.448  -4.685  -6.799
  502   2HH2  ARG  65          2HH2      ARG  65  -7.271  -6.298  -6.192
  503    H    ARG  66           H        ARG  66 -14.263  -1.594  -5.574
  504    HA   ARG  66           HA       ARG  66 -13.754   0.499  -3.574
  505   1HB   ARG  66          2HB       ARG  66 -16.453  -0.557  -4.388
  506   2HB   ARG  66          1HB       ARG  66 -16.091   0.860  -3.421
  507   1HG   ARG  66          2HG       ARG  66 -15.622   0.488  -6.364
  508   2HG   ARG  66          1HG       ARG  66 -16.738   1.608  -5.581
  509   1HD   ARG  66          2HD       ARG  66 -15.041   3.033  -4.906
  510   2HD   ARG  66          1HD       ARG  66 -13.805   1.776  -4.996
  511    HE   ARG  66           HE       ARG  66 -13.437   2.395  -7.153
  512   1HH1  ARG  66          1HH1      ARG  66 -16.652   3.433  -6.274
  513   2HH1  ARG  66          2HH1      ARG  66 -16.937   4.241  -7.778
  514   1HH2  ARG  66          1HH2      ARG  66 -13.808   3.463  -9.128
  515   2HH2  ARG  66          2HH2      ARG  66 -15.322   4.261  -9.397
  516    H    PHE  67           H        PHE  67 -13.585  -0.082  -1.562
  517    HA   PHE  67           HA       PHE  67 -14.699  -2.635  -0.647
  518   1HB   PHE  67          2HB       PHE  67 -11.857  -1.682  -0.271
  519   2HB   PHE  67          1HB       PHE  67 -12.572  -3.010   0.643
  520    HD1  PHE  67           1HD      PHE  67 -14.056  -4.513  -1.288
  521    HD2  PHE  67           2HD      PHE  67 -10.313  -2.541  -1.737
  522    HE1  PHE  67           1HE      PHE  67 -13.451  -6.081  -3.084
  523    HE2  PHE  67           2HE      PHE  67  -9.701  -4.104  -3.536
  524    HZ   PHE  67           HZ       PHE  67 -11.271  -5.878  -4.211
  525    H    HIS  68           H        HIS  68 -14.829  -2.789   1.735
  526    HA   HIS  68           HA       HIS  68 -15.678  -0.255   2.839
  527   1HB   HIS  68          2HB       HIS  68 -16.756  -2.645   3.136
  528   2HB   HIS  68          1HB       HIS  68 -15.590  -2.778   4.449
  529    HD1  HIS  68           1HD      HIS  68 -18.330  -0.388   3.325
  530    HD2  HIS  68           2HD      HIS  68 -16.487  -1.752   6.791
  531    HE1  HIS  68           1HE      HIS  68 -19.606   0.660   5.221
  532    HE2  HIS  68           2HE      HIS  68 -18.548  -0.275   7.307
  533    H    THR  69           H        THR  69 -12.839  -0.651   2.279
  534    HA   THR  69           HA       THR  69 -11.812   0.109   4.884
  535    HB   THR  69           HB       THR  69 -11.550  -2.406   4.527
  536    HG1  THR  69           1HG      THR  69  -9.239  -0.807   4.930
  537   1HG2  THR  69          1HG2      THR  69  -9.772  -3.209   3.168
  538   2HG2  THR  69          2HG2      THR  69  -9.341  -1.574   2.669
  539   3HG2  THR  69          3HG2      THR  69 -10.869  -2.281   2.146
  540    H    MET  70           H        MET  70  -9.776   1.251   4.747
  541    HA   MET  70           HA       MET  70  -9.020   2.095   2.031
  542   1HB   MET  70          2HB       MET  70 -10.337   3.907   2.697
  543   2HB   MET  70          1HB       MET  70  -9.805   3.806   4.368
  544   1HG   MET  70          2HG       MET  70  -7.806   4.886   3.927
  545   2HG   MET  70          1HG       MET  70  -7.887   4.550   2.202
  546   1HE   MET  70          1HE       MET  70 -10.791   6.898   1.076
  547   2HE   MET  70          2HE       MET  70 -10.436   5.175   1.183
  548   3HE   MET  70          3HE       MET  70  -9.279   6.269   0.423
  549    H    ASP  71           H        ASP  71  -7.932   3.215   5.211
  550    HA   ASP  71           HA       ASP  71  -5.218   2.303   4.521
  551   1HB   ASP  71          2HB       ASP  71  -6.118   4.798   5.343
  552   2HB   ASP  71          1HB       ASP  71  -5.396   4.116   6.796
  553    H    GLU  72           H        GLU  72  -7.842   1.553   6.424
  554    HA   GLU  72           HA       GLU  72  -6.418   0.660   8.765
  555   1HB   GLU  72          2HB       GLU  72  -9.244   0.659   7.831
  556   2HB   GLU  72          1HB       GLU  72  -8.788  -0.569   9.004
  557   1HG   GLU  72          2HG       GLU  72  -8.339   0.979  10.653
  558   2HG   GLU  72          1HG       GLU  72  -8.099   2.291   9.500
  559    H    LEU  73           H        LEU  73  -7.118  -0.534   5.653
  560    HA   LEU  73           HA       LEU  73  -7.039  -3.311   6.313
  561   1HB   LEU  73          2HB       LEU  73  -6.736  -3.565   3.793
  562   2HB   LEU  73          1HB       LEU  73  -8.237  -2.854   4.359
  563    HG   LEU  73           HG       LEU  73  -7.736  -0.763   3.502
  564   1HD1  LEU  73          1HD1      LEU  73  -5.666  -0.257   4.521
  565   2HD1  LEU  73          2HD1      LEU  73  -5.410  -0.116   2.784
  566   3HD1  LEU  73          3HD1      LEU  73  -4.839  -1.542   3.641
  567   1HD2  LEU  73          1HD2      LEU  73  -7.691  -2.758   1.787
  568   2HD2  LEU  73          2HD2      LEU  73  -6.033  -2.205   1.549
  569   3HD2  LEU  73          3HD2      LEU  73  -7.379  -1.098   1.279
  570    H    VAL  74           H        VAL  74  -4.679  -0.944   6.017
  571    HA   VAL  74           HA       VAL  74  -2.629  -2.736   5.079
  572    HB   VAL  74           HB       VAL  74  -1.872  -0.211   6.412
  573   1HG1  VAL  74          1HG1      VAL  74  -1.099  -1.035   3.652
  574   2HG1  VAL  74          2HG1      VAL  74  -0.498  -1.970   5.020
  575   3HG1  VAL  74          3HG1      VAL  74  -0.133  -0.253   4.902
  576   1HG2  VAL  74          1HG2      VAL  74  -3.936   0.443   5.226
  577   2HG2  VAL  74          2HG2      VAL  74  -3.265  -0.203   3.730
  578   3HG2  VAL  74          3HG2      VAL  74  -2.506   1.178   4.514
  579    H    GLU  75           H        GLU  75  -4.219  -2.189   7.927
  580    HA   GLU  75           HA       GLU  75  -1.977  -2.718   9.701
  581   1HB   GLU  75          2HB       GLU  75  -4.896  -2.641  10.455
  582   2HB   GLU  75          1HB       GLU  75  -3.502  -2.394  11.499
  583   1HG   GLU  75          2HG       GLU  75  -3.472  -0.493   9.354
  584   2HG   GLU  75          1HG       GLU  75  -5.031  -0.457  10.177
  585    H    HIS  76           H        HIS  76  -4.500  -4.459   8.092
  586    HA   HIS  76           HA       HIS  76  -3.391  -6.964   8.999
  587   1HB   HIS  76          2HB       HIS  76  -5.945  -5.916  10.047
  588   2HB   HIS  76          1HB       HIS  76  -5.993  -7.582   9.479
  589    HD1  HIS  76           1HD      HIS  76  -6.231  -6.655  12.502
  590    HD2  HIS  76           2HD      HIS  76  -2.824  -8.161  10.660
  591    HE1  HIS  76           1HE      HIS  76  -4.816  -7.585  14.361
  592    HE2  HIS  76           2HE      HIS  76  -2.719  -8.406  13.233
  593    H    TYR  77           H        TYR  77  -3.800  -5.467   6.485
  594    HA   TYR  77           HA       TYR  77  -4.626  -5.694   4.376
  595   1HB   TYR  77          2HB       TYR  77  -4.380  -8.208   3.670
  596   2HB   TYR  77          1HB       TYR  77  -2.967  -7.213   4.017
  597    HD1  TYR  77           1HD      TYR  77  -1.867  -7.442   6.276
  598    HD2  TYR  77           2HD      TYR  77  -4.854 -10.152   4.923
  599    HE1  TYR  77           1HE      TYR  77  -1.142  -9.075   7.966
  600    HE2  TYR  77           2HE      TYR  77  -4.138 -11.793   6.610
  601    HH   TYR  77           HH       TYR  77  -2.964 -11.889   8.702
  602    H    LYS  78           H        LYS  78  -6.822  -5.156   5.442
  603    HA   LYS  78           HA       LYS  78  -8.775  -7.217   5.634
  604   1HB   LYS  78          2HB       LYS  78  -9.291  -4.282   5.132
  605   2HB   LYS  78          1HB       LYS  78 -10.380  -5.447   5.873
  606   1HG   LYS  78          2HG       LYS  78  -7.740  -4.929   7.148
  607   2HG   LYS  78          1HG       LYS  78  -9.033  -3.738   7.325
  608   1HD   LYS  78          2HD       LYS  78 -10.438  -5.263   8.426
  609   2HD   LYS  78          1HD       LYS  78  -9.487  -6.652   7.896
  610   1HE   LYS  78          2HE       LYS  78  -7.658  -5.152   9.300
  611   2HE   LYS  78          1HE       LYS  78  -9.147  -4.919  10.220
  612   1HZ   LYS  78          1HZ       LYS  78  -7.705  -6.884  10.845
  613   2HZ   LYS  78          2HZ       LYS  78  -8.214  -7.606   9.403
  614   3HZ   LYS  78          3HZ       LYS  78  -9.347  -7.206  10.593
  615    H    LYS  79           H        LYS  79 -10.418  -5.053   3.757
  616    HA   LYS  79           HA       LYS  79 -10.497  -6.869   1.540
  617   1HB   LYS  79          2HB       LYS  79 -11.829  -4.268   2.202
  618   2HB   LYS  79          1HB       LYS  79 -11.898  -4.882   0.556
  619   1HG   LYS  79          2HG       LYS  79 -12.591  -6.829   2.641
  620   2HG   LYS  79          1HG       LYS  79 -13.698  -5.466   2.478
  621   1HD   LYS  79          2HD       LYS  79 -13.882  -5.943   0.064
  622   2HD   LYS  79          1HD       LYS  79 -12.833  -7.346   0.282
  623   1HE   LYS  79          2HE       LYS  79 -15.315  -7.813   0.226
  624   2HE   LYS  79          1HE       LYS  79 -14.436  -8.458   1.611
  625   1HZ   LYS  79          1HZ       LYS  79 -15.681  -5.812   1.841
  626   2HZ   LYS  79          2HZ       LYS  79 -15.409  -6.979   3.034
  627   3HZ   LYS  79          3HZ       LYS  79 -16.672  -7.180   1.927
  628    H    ALA  80           H        ALA  80  -8.067  -6.538   1.445
  629    HA   ALA  80           HA       ALA  80  -7.305  -4.319  -0.312
  630   1HB   ALA  80          1HB       ALA  80  -5.868  -5.927   1.716
  631   2HB   ALA  80          2HB       ALA  80  -5.742  -4.211   1.329
  632   3HB   ALA  80          3HB       ALA  80  -4.952  -5.408   0.302
  633    HA   PRO  81           HA       PRO  81  -6.791  -7.117  -3.746
  634   1HB   PRO  81          2HB       PRO  81  -4.663  -6.120  -5.032
  635   2HB   PRO  81          1HB       PRO  81  -6.174  -5.196  -4.952
  636   1HG   PRO  81          2HG       PRO  81  -3.767  -5.016  -3.144
  637   2HG   PRO  81          1HG       PRO  81  -4.550  -3.697  -4.066
  638   1HD   PRO  81          2HD       PRO  81  -5.181  -4.057  -1.502
  639   2HD   PRO  81          1HD       PRO  81  -6.467  -3.713  -2.682
  640    H    ILE  82           H        ILE  82  -4.978  -7.085  -1.076
  641    HA   ILE  82           HA       ILE  82  -2.595  -8.324  -1.661
  642    HB   ILE  82           HB       ILE  82  -4.311  -8.289   0.799
  643   1HG1  ILE  82          2HG1      ILE  82  -1.557  -7.185   0.641
  644   2HG1  ILE  82          1HG1      ILE  82  -2.800  -6.361  -0.303
  645   1HG2  ILE  82          1HG2      ILE  82  -1.738  -9.069   1.537
  646   2HG2  ILE  82          2HG2      ILE  82  -2.172 -10.116   0.184
  647   3HG2  ILE  82          3HG2      ILE  82  -3.206 -10.038   1.606
  648   1HD1  ILE  82          1HD1      ILE  82  -3.433  -5.302   1.503
  649   2HD1  ILE  82          2HD1      ILE  82  -2.230  -6.161   2.461
  650   3HD1  ILE  82          3HD1      ILE  82  -3.851  -6.829   2.265
  651    H    PHE  83           H        PHE  83  -2.085 -10.299  -2.162
  652    HA   PHE  83           HA       PHE  83  -3.969 -12.509  -1.799
  653   1HB   PHE  83          2HB       PHE  83  -3.667 -11.170  -4.225
  654   2HB   PHE  83          1HB       PHE  83  -2.688 -12.623  -4.414
  655    HD1  PHE  83           1HD      PHE  83  -5.113 -11.951  -6.027
  656    HD2  PHE  83           2HD      PHE  83  -4.696 -14.158  -2.411
  657    HE1  PHE  83           1HE      PHE  83  -7.154 -13.213  -6.563
  658    HE2  PHE  83           2HE      PHE  83  -6.732 -15.423  -2.943
  659    HZ   PHE  83           HZ       PHE  83  -7.966 -14.953  -5.022
  660    H    THR  84           H        THR  84  -3.004 -14.630  -1.978
  661    HA   THR  84           HA       THR  84  -0.071 -14.653  -1.933
  662    HB   THR  84           HB       THR  84  -1.758 -16.286  -0.035
  663    HG1  THR  84           1HG      THR  84  -0.399 -13.836   0.376
  664   1HG2  THR  84          1HG2      THR  84   0.175 -17.420   0.093
  665   2HG2  THR  84          2HG2      THR  84   0.667 -16.070   1.115
  666   3HG2  THR  84          3HG2      THR  84   1.122 -16.098  -0.589
  667    H    SER  85           H        SER  85   0.904 -16.464  -2.793
  668    HA   SER  85           HA       SER  85  -0.889 -18.420  -4.070
  669   1HB   SER  85          2HB       SER  85   0.698 -16.628  -5.401
  670   2HB   SER  85          1HB       SER  85   1.755 -18.036  -5.311
  671    HG   SER  85           HG       SER  85   0.612 -18.485  -7.066
  672    H    GLU  86           H        GLU  86  -0.489 -20.507  -3.709
  673    HA   GLU  86           HA       GLU  86   0.769 -21.587  -1.641
  674   1HB   GLU  86          2HB       GLU  86   0.245 -22.634  -4.368
  675   2HB   GLU  86          1HB       GLU  86   1.278 -23.598  -3.322
  676   1HG   GLU  86          2HG       GLU  86  -0.460 -23.703  -1.645
  677   2HG   GLU  86          1HG       GLU  86  -1.492 -22.657  -2.618
  678    H    HIS  87           H        HIS  87   2.447 -21.315  -4.792
  679    HA   HIS  87           HA       HIS  87   4.895 -22.328  -4.124
  680   1HB   HIS  87          2HB       HIS  87   3.992 -20.238  -6.032
  681   2HB   HIS  87          1HB       HIS  87   5.720 -20.325  -5.708
  682    HD1  HIS  87           1HD      HIS  87   3.257 -21.650  -7.912
  683    HD2  HIS  87           2HD      HIS  87   6.668 -23.169  -6.089
  684    HE1  HIS  87           1HE      HIS  87   3.889 -23.680  -9.254
  685    HE2  HIS  87           2HE      HIS  87   5.905 -24.632  -8.081
  686    H    GLY  88           H        GLY  88   3.513 -19.305  -3.123
  687   1HA   GLY  88          2HA       GLY  88   4.439 -18.558  -0.920
  688   2HA   GLY  88          1HA       GLY  88   6.012 -18.646  -1.699
  689    H    GLU  89           H        GLU  89   3.600 -17.538  -3.820
  690    HA   GLU  89           HA       GLU  89   4.775 -14.916  -3.824
  691   1HB   GLU  89          2HB       GLU  89   2.845 -16.391  -5.533
  692   2HB   GLU  89          1HB       GLU  89   2.803 -14.629  -5.581
  693   1HG   GLU  89          2HG       GLU  89   4.564 -14.611  -6.905
  694   2HG   GLU  89          1HG       GLU  89   5.491 -15.420  -5.635
  695    H    LYS  90           H        LYS  90   4.286 -13.734  -2.150
  696    HA   LYS  90           HA       LYS  90   1.450 -13.482  -1.397
  697   1HB   LYS  90          2HB       LYS  90   3.827 -12.737   0.298
  698   2HB   LYS  90          1HB       LYS  90   2.146 -12.884   0.807
  699   1HG   LYS  90          2HG       LYS  90   2.381 -15.051   1.212
  700   2HG   LYS  90          1HG       LYS  90   3.080 -15.340  -0.381
  701   1HD   LYS  90          2HD       LYS  90   4.984 -15.798   0.692
  702   2HD   LYS  90          1HD       LYS  90   5.111 -14.063   0.985
  703   1HE   LYS  90          2HE       LYS  90   3.451 -14.801   2.994
  704   2HE   LYS  90          1HE       LYS  90   4.433 -16.256   2.827
  705   1HZ   LYS  90          1HZ       LYS  90   6.398 -14.644   2.891
  706   2HZ   LYS  90          2HZ       LYS  90   5.595 -14.964   4.345
  707   3HZ   LYS  90          3HZ       LYS  90   5.299 -13.519   3.517
  708    H    LEU  91           H        LEU  91   0.472 -11.578  -1.170
  709    HA   LEU  91           HA       LEU  91   1.922  -9.124  -1.958
  710   1HB   LEU  91          2HB       LEU  91  -0.460 -10.358  -3.050
  711   2HB   LEU  91          1HB       LEU  91  -0.844  -8.793  -2.406
  712    HG   LEU  91           HG       LEU  91   0.044  -9.333  -4.943
  713   1HD1  LEU  91          1HD1      LEU  91  -1.246  -7.430  -3.951
  714   2HD1  LEU  91          2HD1      LEU  91  -0.078  -6.989  -5.197
  715   3HD1  LEU  91          3HD1      LEU  91   0.300  -6.716  -3.495
  716   1HD2  LEU  91          1HD2      LEU  91   2.347  -9.607  -3.789
  717   2HD2  LEU  91          2HD2      LEU  91   2.294  -7.852  -3.646
  718   3HD2  LEU  91          3HD2      LEU  91   2.224  -8.607  -5.235
  719    H    TYR  92           H        TYR  92   2.246  -8.636   0.272
  720    HA   TYR  92           HA       TYR  92  -0.238  -7.931   1.696
  721   1HB   TYR  92          2HB       TYR  92   1.032  -8.418   3.823
  722   2HB   TYR  92          1HB       TYR  92   0.631  -9.821   2.834
  723    HD1  TYR  92           1HD      TYR  92   2.343 -11.163   1.844
  724    HD2  TYR  92           2HD      TYR  92   3.355  -7.581   3.902
  725    HE1  TYR  92           1HE      TYR  92   4.711 -11.825   1.819
  726    HE2  TYR  92           2HE      TYR  92   5.728  -8.232   3.881
  727    HH   TYR  92           HH       TYR  92   6.791 -11.286   3.272
  728    H    LEU  93           H        LEU  93  -0.253  -6.124   3.025
  729    HA   LEU  93           HA       LEU  93   1.652  -4.080   2.252
  730   1HB   LEU  93          2HB       LEU  93  -0.656  -3.692   4.130
  731   2HB   LEU  93          1HB       LEU  93   0.170  -2.488   3.155
  732    HG   LEU  93           HG       LEU  93  -1.201  -4.624   1.637
  733   1HD1  LEU  93          1HD1      LEU  93  -2.694  -2.560   3.237
  734   2HD1  LEU  93          2HD1      LEU  93  -2.853  -4.314   3.345
  735   3HD1  LEU  93          3HD1      LEU  93  -3.380  -3.466   1.890
  736   1HD2  LEU  93          1HD2      LEU  93  -1.409  -3.010   0.056
  737   2HD2  LEU  93          2HD2      LEU  93  -0.030  -2.344   0.935
  738   3HD2  LEU  93          3HD2      LEU  93  -1.650  -1.728   1.239
  739    H    VAL  94           H        VAL  94   3.235  -5.569   3.528
  740    HA   VAL  94           HA       VAL  94   3.256  -5.704   6.290
  741    HB   VAL  94           HB       VAL  94   4.826  -7.008   5.130
  742   1HG1  VAL  94          1HG1      VAL  94   5.611  -6.325   3.188
  743   2HG1  VAL  94          2HG1      VAL  94   6.774  -5.333   4.069
  744   3HG1  VAL  94          3HG1      VAL  94   5.228  -4.646   3.566
  745   1HG2  VAL  94          1HG2      VAL  94   6.410  -6.862   6.680
  746   2HG2  VAL  94          2HG2      VAL  94   5.621  -5.383   7.226
  747   3HG2  VAL  94          3HG2      VAL  94   6.952  -5.298   6.072
  748    H    ARG  95           H        ARG  95   5.944  -3.812   5.198
  749    HA   ARG  95           HA       ARG  95   5.022  -1.246   5.825
  750   1HB   ARG  95          2HB       ARG  95   6.093  -2.810   8.114
  751   2HB   ARG  95          1HB       ARG  95   6.653  -1.140   7.937
  752   1HG   ARG  95          2HG       ARG  95   3.933  -2.178   8.595
  753   2HG   ARG  95          1HG       ARG  95   4.866  -0.871   9.331
  754   1HD   ARG  95          2HD       ARG  95   4.533   0.375   7.128
  755   2HD   ARG  95          1HD       ARG  95   3.306  -0.841   6.763
  756    HE   ARG  95           HE       ARG  95   2.825   0.260   9.313
  757   1HH1  ARG  95          1HH1      ARG  95   2.644   1.091   5.928
  758   2HH1  ARG  95          2HH1      ARG  95   1.360   2.232   6.148
  759   1HH2  ARG  95          1HH2      ARG  95   1.134   1.761   9.604
  760   2HH2  ARG  95          2HH2      ARG  95   0.504   2.614   8.234
  761    H    ALA  96           H        ALA  96   6.914   0.211   6.454
  762    HA   ALA  96           HA       ALA  96   8.878  -0.044   4.397
  763   1HB   ALA  96          1HB       ALA  96   7.719   2.050   5.316
  764   2HB   ALA  96          2HB       ALA  96   9.443   2.150   4.954
  765   3HB   ALA  96          3HB       ALA  96   8.900   1.960   6.622
  766    H    LEU  97           H        LEU  97  10.781  -1.053   4.574
  767    HA   LEU  97           HA       LEU  97  12.354  -0.900   6.979
  768   1HB   LEU  97          2HB       LEU  97  10.984  -3.424   6.159
  769   2HB   LEU  97          1HB       LEU  97  12.587  -3.521   6.862
  770    HG   LEU  97           HG       LEU  97  11.218  -1.865   8.616
  771   1HD1  LEU  97          1HD1      LEU  97   9.047  -2.205   8.062
  772   2HD1  LEU  97          2HD1      LEU  97   9.276  -3.629   9.077
  773   3HD1  LEU  97          3HD1      LEU  97   9.364  -3.774   7.320
  774   1HD2  LEU  97          1HD2      LEU  97  11.487  -3.632  10.169
  775   2HD2  LEU  97          2HD2      LEU  97  12.840  -3.747   9.043
  776   3HD2  LEU  97          3HD2      LEU  97  11.472  -4.851   8.894
  777    H    GLN  98           H        GLN  98  13.915   0.057   5.694
  778    HA   GLN  98           HA       GLN  98  14.845  -1.173   3.273
  779   1HB   GLN  98          2HB       GLN  98  16.512   0.604   3.242
  780   2HB   GLN  98          1HB       GLN  98  14.921   1.265   3.591
  781   1HG   GLN  98          2HG       GLN  98  15.671   1.005   6.074
  782   2HG   GLN  98          1HG       GLN  98  17.290   0.985   5.376
  783   1HE2  GLN  98          1HE2      GLN  98  17.356   2.770   3.492
  784   2HE2  GLN  98          2HE2      GLN  98  16.910   4.344   4.046
  Start of MODEL    4
    1   1H    ARG   1          1HT       ARG   1  10.359   2.217  13.662
    2   2H    ARG   1          2HT       ARG   1   9.101   2.557  12.546
    3   3H    ARG   1          3HT       ARG   1   8.793   2.615  14.233
    4    HA   ARG   1           HA       ARG   1   8.966   4.798  13.452
    5   1HB   ARG   1          2HB       ARG   1  11.590   4.095  14.766
    6   2HB   ARG   1          1HB       ARG   1  10.664   5.579  14.937
    7   1HG   ARG   1          2HG       ARG   1   8.849   4.179  15.993
    8   2HG   ARG   1          1HG       ARG   1  10.021   2.860  16.038
    9   1HD   ARG   1          2HD       ARG   1  10.616   5.560  17.212
   10   2HD   ARG   1          1HD       ARG   1   9.783   4.309  18.130
   11    HE   ARG   1           HE       ARG   1  11.751   3.093  18.241
   12   1HH1  ARG   1          1HH1      ARG   1  12.168   5.874  16.166
   13   2HH1  ARG   1          2HH1      ARG   1  13.892   5.737  16.126
   14   1HH2  ARG   1          1HH2      ARG   1  14.018   2.921  18.188
   15   2HH2  ARG   1          2HH2      ARG   1  14.943   4.065  17.273
   16    H    GLU   2           H        GLU   2  11.166   6.346  13.128
   17    HA   GLU   2           HA       GLU   2  12.578   7.207  11.575
   18   1HB   GLU   2          2HB       GLU   2  13.062   4.270  11.108
   19   2HB   GLU   2          1HB       GLU   2  13.928   5.517  10.222
   20   1HG   GLU   2          2HG       GLU   2  13.902   5.268  13.220
   21   2HG   GLU   2          1HG       GLU   2  15.162   4.621  12.170
   22    H    TRP   3           H        TRP   3  11.634   4.375   9.655
   23    HA   TRP   3           HA       TRP   3  11.255   5.660   7.281
   24   1HB   TRP   3          2HB       TRP   3   9.343   3.756   7.020
   25   2HB   TRP   3          1HB       TRP   3  11.070   3.454   6.837
   26    HD1  TRP   3           HD       TRP   3  12.314   2.337   9.038
   27    HE1  TRP   3           1HE      TRP   3  11.378   0.697  10.785
   28    HE3  TRP   3           3HE      TRP   3   7.319   3.071   8.246
   29    HZ2  TRP   3           2HZ      TRP   3   8.857  -0.178  11.702
   30    HZ3  TRP   3           3HZ      TRP   3   5.709   1.789   9.597
   31    HH2  TRP   3           HH       TRP   3   6.464   0.198  11.288
   32    H    TYR   4           H        TYR   4   8.483   4.737   9.360
   33    HA   TYR   4           HA       TYR   4   6.784   6.586   7.970
   34   1HB   TYR   4          2HB       TYR   4   5.011   5.660   9.128
   35   2HB   TYR   4          1HB       TYR   4   6.157   4.324   9.127
   36    HD1  TYR   4           1HD      TYR   4   4.463   6.836  11.168
   37    HD2  TYR   4           2HD      TYR   4   7.286   3.654  11.187
   38    HE1  TYR   4           1HE      TYR   4   4.313   6.727  13.620
   39    HE2  TYR   4           2HE      TYR   4   7.144   3.536  13.639
   40    HH   TYR   4           HH       TYR   4   6.469   5.353  15.534
   41    H    TYR   5           H        TYR   5   5.557   8.283   9.014
   42    HA   TYR   5           HA       TYR   5   6.146   9.404  11.500
   43   1HB   TYR   5          2HB       TYR   5   8.356   9.724  10.076
   44   2HB   TYR   5          1HB       TYR   5   7.466  11.081   9.399
   45    HD1  TYR   5           1HD      TYR   5  10.046  10.870  11.252
   46    HD2  TYR   5           2HD      TYR   5   5.967  11.885  11.909
   47    HE1  TYR   5           1HE      TYR   5  10.705  12.245  13.181
   48    HE2  TYR   5           2HE      TYR   5   6.614  13.263  13.839
   49    HH   TYR   5           HH       TYR   5   9.883  14.068  14.511
   50    H    GLY   6           H        GLY   6   6.057  11.210   8.455
   51   1HA   GLY   6          2HA       GLY   6   3.284  11.983   9.078
   52   2HA   GLY   6          1HA       GLY   6   4.459  13.128   8.453
   53    H    ASN   7           H        ASN   7   5.457  10.714   6.842
   54    HA   ASN   7           HA       ASN   7   3.372  10.232   4.921
   55   1HB   ASN   7          2HB       ASN   7   5.469  12.274   4.452
   56   2HB   ASN   7          1HB       ASN   7   5.180  11.147   3.129
   57   1HD2  ASN   7          1HD2      ASN   7   4.301  14.040   4.412
   58   2HD2  ASN   7          2HD2      ASN   7   2.752  14.226   3.670
   59    H    VAL   8           H        VAL   8   3.735   8.333   3.869
   60    HA   VAL   8           HA       VAL   8   6.283   7.016   4.427
   61    HB   VAL   8           HB       VAL   8   3.788   5.673   3.445
   62   1HG1  VAL   8          1HG1      VAL   8   4.804   3.666   3.974
   63   2HG1  VAL   8          2HG1      VAL   8   5.950   4.420   5.080
   64   3HG1  VAL   8          3HG1      VAL   8   6.151   4.610   3.337
   65   1HG2  VAL   8          1HG2      VAL   8   4.661   6.284   6.253
   66   2HG2  VAL   8          2HG2      VAL   8   3.516   4.999   5.867
   67   3HG2  VAL   8          3HG2      VAL   8   3.126   6.674   5.478
   68    H    THR   9           H        THR   9   4.285   5.857   1.878
   69    HA   THR   9           HA       THR   9   6.237   5.556  -0.006
   70    HB   THR   9           HB       THR   9   3.297   6.094  -0.409
   71    HG1  THR   9           1HG      THR   9   4.623   3.616  -0.424
   72   1HG2  THR   9          1HG2      THR   9   3.726   6.115  -2.602
   73   2HG2  THR   9          2HG2      THR   9   3.955   4.380  -2.394
   74   3HG2  THR   9          3HG2      THR   9   5.343   5.457  -2.387
   75    H    ARG  10           H        ARG  10   6.011   6.840  -2.323
   76    HA   ARG  10           HA       ARG  10   6.384   8.751  -3.499
   77   1HB   ARG  10          2HB       ARG  10   4.610  10.011  -2.785
   78   2HB   ARG  10          1HB       ARG  10   5.008   9.819  -1.097
   79   1HG   ARG  10          2HG       ARG  10   6.943  11.418  -2.603
   80   2HG   ARG  10          1HG       ARG  10   5.316  12.104  -2.536
   81   1HD   ARG  10          2HD       ARG  10   5.334  12.220  -0.202
   82   2HD   ARG  10          1HD       ARG  10   6.681  11.092  -0.063
   83    HE   ARG  10           HE       ARG  10   7.790  13.158  -1.380
   84   1HH1  ARG  10          1HH1      ARG  10   5.877  12.993   1.536
   85   2HH1  ARG  10          2HH1      ARG  10   6.613  14.390   2.246
   86   1HH2  ARG  10          1HH2      ARG  10   8.761  14.993  -0.445
   87   2HH2  ARG  10          2HH2      ARG  10   8.250  15.525   1.123
   88    H    HIS  11           H        HIS  11   7.277   9.117  -0.091
   89    HA   HIS  11           HA       HIS  11   9.937  10.050  -0.899
   90   1HB   HIS  11          2HB       HIS  11   8.598  11.391   0.773
   91   2HB   HIS  11          1HB       HIS  11   8.730  10.027   1.879
   92    HD1  HIS  11           1HD      HIS  11  11.833  10.246   0.117
   93    HD2  HIS  11           2HD      HIS  11  10.124  12.265   3.322
   94    HE1  HIS  11           1HE      HIS  11  13.749  11.353   1.314
   95    HE2  HIS  11           2HE      HIS  11  12.681  12.636   3.201
   96    H    GLN  12           H        GLN  12   8.237   7.678   1.089
   97    HA   GLN  12           HA       GLN  12  10.628   6.255   1.815
   98   1HB   GLN  12          2HB       GLN  12   7.698   5.572   2.099
   99   2HB   GLN  12          1HB       GLN  12   8.999   4.523   2.649
  100   1HG   GLN  12          2HG       GLN  12   9.783   6.527   4.028
  101   2HG   GLN  12          1HG       GLN  12   8.196   7.215   3.695
  102   1HE2  GLN  12          1HE2      GLN  12   8.898   3.801   4.199
  103   2HE2  GLN  12          2HE2      GLN  12   8.002   3.648   5.664
  104    H    ALA  13           H        ALA  13   7.945   5.786  -0.488
  105    HA   ALA  13           HA       ALA  13   8.619   3.251  -1.401
  106   1HB   ALA  13          1HB       ALA  13   7.282   5.581  -2.698
  107   2HB   ALA  13          2HB       ALA  13   6.596   4.041  -2.179
  108   3HB   ALA  13          3HB       ALA  13   7.614   4.115  -3.616
  109    H    GLU  14           H        GLU  14  10.224   6.272  -1.936
  110    HA   GLU  14           HA       GLU  14  11.756   5.284  -4.182
  111   1HB   GLU  14          2HB       GLU  14  12.682   7.676  -2.702
  112   2HB   GLU  14          1HB       GLU  14  12.589   7.390  -4.434
  113   1HG   GLU  14          2HG       GLU  14  10.107   7.749  -2.821
  114   2HG   GLU  14          1HG       GLU  14  11.061   9.124  -3.342
  115    H    CYS  15           H        CYS  15  12.496   6.479  -0.932
  116    HA   CYS  15           HA       CYS  15  15.114   5.499  -0.792
  117   1HB   CYS  15          2HB       CYS  15  13.067   6.127   1.326
  118   2HB   CYS  15          1HB       CYS  15  14.675   5.544   1.744
  119    HG   CYS  15           HG       CYS  15  15.615   7.726   0.532
  120    H    ALA  16           H        ALA  16  12.189   3.761  -0.838
  121    HA   ALA  16           HA       ALA  16  13.466   1.401   0.373
  122   1HB   ALA  16          1HB       ALA  16  11.482   1.995   1.555
  123   2HB   ALA  16          2HB       ALA  16  11.128   0.551   0.605
  124   3HB   ALA  16          3HB       ALA  16  10.565   2.129   0.055
  125    H    LEU  17           H        LEU  17  11.729   2.592  -2.446
  126    HA   LEU  17           HA       LEU  17  12.268   0.018  -3.780
  127   1HB   LEU  17          2HB       LEU  17  10.174   1.870  -4.790
  128   2HB   LEU  17          1HB       LEU  17  10.286   0.120  -4.920
  129    HG   LEU  17           HG       LEU  17   9.609   1.633  -2.399
  130   1HD1  LEU  17          1HD1      LEU  17   7.975   1.296  -4.507
  131   2HD1  LEU  17          2HD1      LEU  17   7.436   1.369  -2.829
  132   3HD1  LEU  17          3HD1      LEU  17   7.672  -0.193  -3.613
  133   1HD2  LEU  17          1HD2      LEU  17  10.426  -0.253  -1.491
  134   2HD2  LEU  17          2HD2      LEU  17  10.251  -1.177  -2.983
  135   3HD2  LEU  17          3HD2      LEU  17   8.849  -0.897  -1.950
  136    H    ASN  18           H        ASN  18  13.771   2.627  -3.544
  137    HA   ASN  18           HA       ASN  18  13.909   4.101  -5.847
  138   1HB   ASN  18          2HB       ASN  18  15.374   4.400  -3.819
  139   2HB   ASN  18          1HB       ASN  18  16.353   3.053  -4.395
  140   1HD2  ASN  18          1HD2      ASN  18  17.252   5.695  -3.933
  141   2HD2  ASN  18          2HD2      ASN  18  17.787   6.340  -5.444
  142    H    GLU  19           H        GLU  19  14.843   0.789  -5.347
  143    HA   GLU  19           HA       GLU  19  16.199   0.590  -7.908
  144   1HB   GLU  19          2HB       GLU  19  16.930  -0.657  -5.836
  145   2HB   GLU  19          1HB       GLU  19  15.491  -1.652  -6.017
  146   1HG   GLU  19          2HG       GLU  19  17.513  -2.705  -6.933
  147   2HG   GLU  19          1HG       GLU  19  16.255  -2.464  -8.144
  148    H    ARG  20           H        ARG  20  13.047  -0.029  -6.565
  149    HA   ARG  20           HA       ARG  20  11.075  -0.554  -7.584
  150   1HB   ARG  20          2HB       ARG  20  12.204   0.731  -9.544
  151   2HB   ARG  20          1HB       ARG  20  12.467  -0.867 -10.228
  152   1HG   ARG  20          2HG       ARG  20  10.485  -0.281 -11.210
  153   2HG   ARG  20          1HG       ARG  20   9.911  -1.160  -9.791
  154   1HD   ARG  20          2HD       ARG  20   9.049   0.691  -8.833
  155   2HD   ARG  20          1HD       ARG  20  10.366   1.720  -9.394
  156    HE   ARG  20           HE       ARG  20   8.997   1.205 -11.661
  157   1HH1  ARG  20          1HH1      ARG  20   8.021   2.369  -8.519
  158   2HH1  ARG  20          2HH1      ARG  20   6.698   3.300  -9.137
  159   1HH2  ARG  20          1HH2      ARG  20   7.259   2.430 -12.476
  160   2HH2  ARG  20          2HH2      ARG  20   6.265   3.335 -11.383
  161    H    GLY  21           H        GLY  21  11.774  -2.499  -6.228
  162   1HA   GLY  21          2HA       GLY  21  10.825  -4.826  -6.944
  163   2HA   GLY  21          1HA       GLY  21  12.313  -4.865  -7.880
  164    H    VAL  22           H        VAL  22  11.176  -4.278  -4.564
  165    HA   VAL  22           HA       VAL  22  13.651  -5.522  -3.571
  166    HB   VAL  22           HB       VAL  22  11.721  -3.785  -2.026
  167   1HG1  VAL  22          1HG1      VAL  22  12.897  -4.976  -0.434
  168   2HG1  VAL  22          2HG1      VAL  22  13.902  -3.539  -0.626
  169   3HG1  VAL  22          3HG1      VAL  22  14.360  -5.047  -1.416
  170   1HG2  VAL  22          1HG2      VAL  22  13.923  -2.258  -2.286
  171   2HG2  VAL  22          2HG2      VAL  22  12.527  -2.157  -3.359
  172   3HG2  VAL  22          3HG2      VAL  22  13.941  -3.098  -3.836
  173    H    GLU  23           H        GLU  23  13.408  -6.790  -1.536
  174    HA   GLU  23           HA       GLU  23  12.000  -9.050  -1.745
  175   1HB   GLU  23          2HB       GLU  23  13.626  -8.635   0.034
  176   2HB   GLU  23          1HB       GLU  23  12.481  -7.583   0.853
  177   1HG   GLU  23          2HG       GLU  23  12.285  -9.559   2.021
  178   2HG   GLU  23          1HG       GLU  23  10.945  -9.653   0.879
  179    H    GLY  24           H        GLY  24  10.738  -6.790   0.705
  180   1HA   GLY  24          2HA       GLY  24   8.063  -7.046  -0.465
  181   2HA   GLY  24          1HA       GLY  24   8.305  -7.629   1.186
  182    H    ASP  25           H        ASP  25   9.339  -4.755  -0.650
  183    HA   ASP  25           HA       ASP  25   8.763  -3.080   1.621
  184   1HB   ASP  25          2HB       ASP  25   9.928  -2.661  -1.120
  185   2HB   ASP  25          1HB       ASP  25   9.509  -1.317  -0.083
  186    H    PHE  26           H        PHE  26   6.689  -2.679   1.941
  187    HA   PHE  26           HA       PHE  26   5.020  -1.841  -0.338
  188   1HB   PHE  26          2HB       PHE  26   3.797  -3.241   2.001
  189   2HB   PHE  26          1HB       PHE  26   3.251  -3.185   0.336
  190    HD1  PHE  26           1HD      PHE  26   5.801  -4.135  -0.990
  191    HD2  PHE  26           2HD      PHE  26   3.719  -5.556   2.427
  192    HE1  PHE  26           1HE      PHE  26   6.669  -6.380  -1.405
  193    HE2  PHE  26           2HE      PHE  26   4.608  -7.808   2.032
  194    HZ   PHE  26           HZ       PHE  26   6.077  -8.229   0.106
  195    H    LEU  27           H        LEU  27   4.018   0.146   0.001
  196    HA   LEU  27           HA       LEU  27   3.483   0.907   2.766
  197   1HB   LEU  27          2HB       LEU  27   4.626   3.241   1.936
  198   2HB   LEU  27          1HB       LEU  27   5.367   2.050   2.992
  199    HG   LEU  27           HG       LEU  27   5.738   1.674   0.067
  200   1HD1  LEU  27          1HD1      LEU  27   6.622   3.671  -0.300
  201   2HD1  LEU  27          2HD1      LEU  27   7.856   3.310   0.904
  202   3HD1  LEU  27          3HD1      LEU  27   6.376   4.142   1.380
  203   1HD2  LEU  27          1HD2      LEU  27   7.962   1.566   1.993
  204   2HD2  LEU  27          2HD2      LEU  27   7.511   0.442   0.711
  205   3HD2  LEU  27          3HD2      LEU  27   6.665   0.400   2.258
  206    H    ILE  28           H        ILE  28   1.897   2.289   3.096
  207    HA   ILE  28           HA       ILE  28   0.449   3.387   0.773
  208    HB   ILE  28           HB       ILE  28  -0.475   2.173   3.343
  209   1HG1  ILE  28          2HG1      ILE  28  -0.644   1.466   0.671
  210   2HG1  ILE  28          1HG1      ILE  28  -1.542   0.739   1.992
  211   1HG2  ILE  28          1HG2      ILE  28  -2.729   3.245   2.999
  212   2HG2  ILE  28          2HG2      ILE  28  -1.910   4.409   1.958
  213   3HG2  ILE  28          3HG2      ILE  28  -1.462   4.277   3.659
  214   1HD1  ILE  28          1HD1      ILE  28  -3.396   2.243   1.596
  215   2HD1  ILE  28          2HD1      ILE  28  -2.989   1.362   0.124
  216   3HD1  ILE  28          3HD1      ILE  28  -2.495   3.045   0.311
  217    H    ARG  29           H        ARG  29   0.535   5.558   0.619
  218    HA   ARG  29           HA       ARG  29   1.150   7.084   3.065
  219   1HB   ARG  29          2HB       ARG  29   2.149   8.783   1.590
  220   2HB   ARG  29          1HB       ARG  29   2.940   7.216   1.439
  221   1HG   ARG  29          2HG       ARG  29   1.661   6.790  -0.610
  222   2HG   ARG  29          1HG       ARG  29   0.924   8.382  -0.471
  223   1HD   ARG  29          2HD       ARG  29   3.680   8.800  -0.250
  224   2HD   ARG  29          1HD       ARG  29   3.501   7.627  -1.551
  225    HE   ARG  29           HE       ARG  29   2.564   9.264  -2.853
  226   1HH1  ARG  29          1HH1      ARG  29   2.576  10.344   0.465
  227   2HH1  ARG  29          2HH1      ARG  29   2.060  11.949   0.076
  228   1HH2  ARG  29          1HH2      ARG  29   1.885  11.377  -3.368
  229   2HH2  ARG  29          2HH2      ARG  29   1.667  12.537  -2.100
  230    H    ASP  30           H        ASP  30   0.274   9.214   3.267
  231    HA   ASP  30           HA       ASP  30  -2.474   9.348   2.324
  232   1HB   ASP  30          2HB       ASP  30  -1.997   9.753   4.704
  233   2HB   ASP  30          1HB       ASP  30  -0.968  11.112   4.270
  234    H    SER  31           H        SER  31  -3.339  11.452   1.568
  235    HA   SER  31           HA       SER  31  -1.347  12.971   0.020
  236   1HB   SER  31          2HB       SER  31  -3.965  11.799  -0.874
  237   2HB   SER  31          1HB       SER  31  -3.307  13.226  -1.673
  238    HG   SER  31           HG       SER  31  -1.379  11.979  -2.031
  239    H    GLU  32           H        GLU  32  -1.274  14.719   1.376
  240    HA   GLU  32           HA       GLU  32  -3.312  15.938   2.759
  241   1HB   GLU  32          2HB       GLU  32  -0.799  17.025   1.528
  242   2HB   GLU  32          1HB       GLU  32  -1.912  18.087   2.378
  243   1HG   GLU  32          2HG       GLU  32  -1.612  16.912   4.416
  244   2HG   GLU  32          1HG       GLU  32  -0.735  15.613   3.608
  245    H    SER  33           H        SER  33  -2.646  16.080  -0.653
  246    HA   SER  33           HA       SER  33  -3.933  18.396  -1.424
  247   1HB   SER  33          2HB       SER  33  -2.721  17.070  -3.036
  248   2HB   SER  33          1HB       SER  33  -3.830  15.716  -2.823
  249    HG   SER  33           HG       SER  33  -4.968  16.590  -4.344
  250    H    SER  34           H        SER  34  -5.320  15.279  -0.567
  251    HA   SER  34           HA       SER  34  -7.895  16.527  -0.156
  252   1HB   SER  34          2HB       SER  34  -7.372  14.610  -2.388
  253   2HB   SER  34          1HB       SER  34  -8.911  14.502  -1.534
  254    HG   SER  34           HG       SER  34  -9.521  16.132  -2.689
  255    HA   PRO  35           HA       PRO  35  -7.929  13.567   3.125
  256   1HB   PRO  35          2HB       PRO  35 -10.586  13.482   3.670
  257   2HB   PRO  35          1HB       PRO  35  -9.560  14.852   4.109
  258   1HG   PRO  35          2HG       PRO  35 -11.396  14.537   1.765
  259   2HG   PRO  35          1HG       PRO  35 -11.170  15.939   2.828
  260   1HD   PRO  35          2HD       PRO  35 -10.027  15.777   0.382
  261   2HD   PRO  35          1HD       PRO  35  -9.249  16.612   1.742
  262    H    SER  36           H        SER  36  -9.759  13.085   0.218
  263    HA   SER  36           HA       SER  36 -10.135  10.244   0.870
  264   1HB   SER  36          2HB       SER  36 -11.599  12.176  -0.865
  265   2HB   SER  36          1HB       SER  36 -11.562  10.488  -1.373
  266    HG   SER  36           HG       SER  36 -13.337  10.793  -0.053
  267    H    ASP  37           H        ASP  37  -7.550  10.974   0.259
  268    HA   ASP  37           HA       ASP  37  -7.181   9.567  -2.279
  269   1HB   ASP  37          2HB       ASP  37  -6.328  12.344  -1.675
  270   2HB   ASP  37          1HB       ASP  37  -5.154  11.322  -2.512
  271    H    PHE  38           H        PHE  38  -5.781   7.971  -2.079
  272    HA   PHE  38           HA       PHE  38  -3.519   8.204  -0.248
  273   1HB   PHE  38          2HB       PHE  38  -5.682   6.118  -0.081
  274   2HB   PHE  38          1HB       PHE  38  -4.044   5.772   0.483
  275    HD1  PHE  38           1HD      PHE  38  -3.072   7.219   2.303
  276    HD2  PHE  38           2HD      PHE  38  -7.191   7.318   1.231
  277    HE1  PHE  38           1HE      PHE  38  -3.606   8.267   4.465
  278    HE2  PHE  38           2HE      PHE  38  -7.733   8.367   3.389
  279    HZ   PHE  38           HZ       PHE  38  -5.939   8.844   5.010
  280    H    SER  39           H        SER  39  -1.697   7.248  -1.027
  281    HA   SER  39           HA       SER  39  -1.968   5.507  -3.388
  282   1HB   SER  39          2HB       SER  39  -0.725   8.112  -3.218
  283   2HB   SER  39          1HB       SER  39   0.455   6.889  -3.689
  284    HG   SER  39           HG       SER  39  -0.926   6.291  -5.385
  285    H    VAL  40           H        VAL  40  -0.482   3.836  -3.600
  286    HA   VAL  40           HA       VAL  40   1.604   3.626  -1.563
  287    HB   VAL  40           HB       VAL  40   0.417   2.169  -0.375
  288   1HG1  VAL  40          1HG1      VAL  40  -1.678   2.756  -1.331
  289   2HG1  VAL  40          2HG1      VAL  40  -1.609   1.001  -1.168
  290   3HG1  VAL  40          3HG1      VAL  40  -1.370   1.754  -2.744
  291   1HG2  VAL  40          1HG2      VAL  40   2.019   0.683  -1.519
  292   2HG2  VAL  40          2HG2      VAL  40   0.772   0.297  -2.704
  293   3HG2  VAL  40          3HG2      VAL  40   0.547  -0.147  -1.012
  294    H    SER  41           H        SER  41   3.362   2.417  -2.081
  295    HA   SER  41           HA       SER  41   3.576   1.620  -4.910
  296   1HB   SER  41          2HB       SER  41   5.732   2.369  -2.912
  297   2HB   SER  41          1HB       SER  41   6.038   1.824  -4.561
  298    HG   SER  41           HG       SER  41   4.953   3.650  -5.318
  299    H    LEU  42           H        LEU  42   3.856  -0.515  -5.380
  300    HA   LEU  42           HA       LEU  42   4.656  -2.264  -3.167
  301   1HB   LEU  42          2HB       LEU  42   2.094  -2.065  -3.955
  302   2HB   LEU  42          1HB       LEU  42   2.646  -3.322  -5.048
  303    HG   LEU  42           HG       LEU  42   2.662  -4.884  -3.443
  304   1HD1  LEU  42          1HD1      LEU  42   3.482  -4.488  -1.140
  305   2HD1  LEU  42          2HD1      LEU  42   3.782  -2.805  -1.562
  306   3HD1  LEU  42          3HD1      LEU  42   4.659  -4.093  -2.387
  307   1HD2  LEU  42          1HD2      LEU  42   0.802  -2.805  -2.676
  308   2HD2  LEU  42          2HD2      LEU  42   1.346  -3.736  -1.281
  309   3HD2  LEU  42          3HD2      LEU  42   0.609  -4.558  -2.656
  310    H    LYS  43           H        LYS  43   6.001  -3.891  -3.586
  311    HA   LYS  43           HA       LYS  43   6.627  -4.481  -6.407
  312   1HB   LYS  43          2HB       LYS  43   8.773  -5.130  -4.538
  313   2HB   LYS  43          1HB       LYS  43   8.841  -4.262  -6.063
  314   1HG   LYS  43          2HG       LYS  43   7.714  -2.812  -3.741
  315   2HG   LYS  43          1HG       LYS  43   9.444  -3.146  -3.732
  316   1HD   LYS  43          2HD       LYS  43   9.074  -1.005  -4.734
  317   2HD   LYS  43          1HD       LYS  43   9.603  -2.123  -5.986
  318   1HE   LYS  43          2HE       LYS  43   7.128  -2.468  -6.474
  319   2HE   LYS  43          1HE       LYS  43   6.846  -1.046  -5.473
  320   1HZ   LYS  43          1HZ       LYS  43   8.333  -1.215  -8.027
  321   2HZ   LYS  43          2HZ       LYS  43   8.488   0.109  -6.986
  322   3HZ   LYS  43          3HZ       LYS  43   6.983  -0.263  -7.661
  323    H    ALA  44           H        ALA  44   7.079  -6.678  -6.924
  324    HA   ALA  44           HA       ALA  44   6.375  -8.604  -4.802
  325   1HB   ALA  44          1HB       ALA  44   4.533  -8.273  -6.443
  326   2HB   ALA  44          2HB       ALA  44   5.159  -9.922  -6.413
  327   3HB   ALA  44          3HB       ALA  44   5.623  -8.825  -7.710
  328    H    SER  45           H        SER  45   6.908 -10.946  -5.899
  329    HA   SER  45           HA       SER  45   9.743 -10.994  -6.072
  330   1HB   SER  45          2HB       SER  45   8.071 -12.855  -5.283
  331   2HB   SER  45          1HB       SER  45   8.034 -13.288  -6.993
  332    HG   SER  45           HG       SER  45   9.727 -14.210  -5.410
  333    H    GLY  46           H        GLY  46  10.064  -9.497  -7.821
  334   1HA   GLY  46          2HA       GLY  46  11.074  -9.817 -10.030
  335   2HA   GLY  46          1HA       GLY  46   9.670 -10.768 -10.459
  336    H    LYS  47           H        LYS  47   7.581  -9.345  -9.868
  337    HA   LYS  47           HA       LYS  47   7.925  -6.868 -11.344
  338   1HB   LYS  47          2HB       LYS  47   5.328  -7.287 -11.586
  339   2HB   LYS  47          1HB       LYS  47   6.496  -7.957 -12.699
  340   1HG   LYS  47          2HG       LYS  47   4.939  -9.662 -12.149
  341   2HG   LYS  47          1HG       LYS  47   6.456 -10.043 -11.323
  342   1HD   LYS  47          2HD       LYS  47   5.222  -8.470  -9.496
  343   2HD   LYS  47          1HD       LYS  47   3.840  -9.303 -10.222
  344   1HE   LYS  47          2HE       LYS  47   6.271 -10.581  -8.971
  345   2HE   LYS  47          1HE       LYS  47   4.628 -10.583  -8.331
  346   1HZ   LYS  47          1HZ       LYS  47   4.132 -12.347  -9.553
  347   2HZ   LYS  47          2HZ       LYS  47   5.763 -12.469  -9.983
  348   3HZ   LYS  47          3HZ       LYS  47   4.688 -11.619 -10.976
  349    H    ASN  48           H        ASN  48   6.267  -5.222 -10.881
  350    HA   ASN  48           HA       ASN  48   5.523  -5.148  -8.039
  351   1HB   ASN  48          2HB       ASN  48   6.136  -2.645  -8.169
  352   2HB   ASN  48          1HB       ASN  48   7.456  -3.807  -8.032
  353   1HD2  ASN  48          1HD2      ASN  48   5.551  -2.051 -10.446
  354   2HD2  ASN  48          2HD2      ASN  48   6.858  -1.804 -11.549
  355    H    LYS  49           H        LYS  49   3.492  -4.370  -7.644
  356    HA   LYS  49           HA       LYS  49   2.016  -3.452  -9.991
  357   1HB   LYS  49          2HB       LYS  49   0.175  -3.748  -7.897
  358   2HB   LYS  49          1HB       LYS  49   0.372  -4.764  -9.311
  359   1HG   LYS  49          2HG       LYS  49   2.081  -5.224  -6.916
  360   2HG   LYS  49          1HG       LYS  49   0.415  -5.802  -6.949
  361   1HD   LYS  49          2HD       LYS  49   2.114  -6.359  -9.312
  362   2HD   LYS  49          1HD       LYS  49   2.426  -7.259  -7.838
  363   1HE   LYS  49          2HE       LYS  49   0.643  -8.553  -8.152
  364   2HE   LYS  49          1HE       LYS  49  -0.398  -7.145  -8.383
  365   1HZ   LYS  49          1HZ       LYS  49   1.359  -7.819 -10.600
  366   2HZ   LYS  49          2HZ       LYS  49  -0.247  -7.291 -10.613
  367   3HZ   LYS  49          3HZ       LYS  49   0.106  -8.914 -10.293
  368    H    HIS  50           H        HIS  50   0.699  -1.614  -9.937
  369    HA   HIS  50           HA       HIS  50   1.582   0.421  -8.036
  370   1HB   HIS  50          2HB       HIS  50   0.010   1.848  -9.628
  371   2HB   HIS  50          1HB       HIS  50   1.656   1.442 -10.094
  372    HD1  HIS  50           1HD      HIS  50  -1.876   0.932 -11.041
  373    HD2  HIS  50           2HD      HIS  50   1.841  -0.597 -12.093
  374    HE1  HIS  50           1HE      HIS  50  -2.244  -0.301 -13.201
  375    HE2  HIS  50           2HE      HIS  50   0.029  -1.176 -13.846
  376    H    PHE  51           H        PHE  51   0.282   1.235  -6.486
  377    HA   PHE  51           HA       PHE  51  -2.474   0.195  -6.411
  378   1HB   PHE  51          2HB       PHE  51  -0.540   0.651  -4.140
  379   2HB   PHE  51          1HB       PHE  51  -2.245   0.273  -3.916
  380    HD1  PHE  51           1HD      PHE  51  -2.639  -1.897  -3.324
  381    HD2  PHE  51           2HD      PHE  51   0.558  -1.062  -6.004
  382    HE1  PHE  51           1HE      PHE  51  -2.129  -4.301  -3.465
  383    HE2  PHE  51           2HE      PHE  51   1.066  -3.460  -6.151
  384    HZ   PHE  51           HZ       PHE  51  -0.276  -5.084  -4.882
  385    H    LYS  52           H        LYS  52  -4.053   1.605  -6.339
  386    HA   LYS  52           HA       LYS  52  -3.495   4.332  -5.386
  387   1HB   LYS  52          2HB       LYS  52  -3.994   3.756  -7.998
  388   2HB   LYS  52          1HB       LYS  52  -5.626   4.033  -7.404
  389   1HG   LYS  52          2HG       LYS  52  -5.192   6.244  -6.853
  390   2HG   LYS  52          1HG       LYS  52  -3.445   5.995  -6.830
  391   1HD   LYS  52          2HD       LYS  52  -4.144   5.333  -9.414
  392   2HD   LYS  52          1HD       LYS  52  -5.207   6.693  -9.043
  393   1HE   LYS  52          2HE       LYS  52  -2.396   7.002  -8.215
  394   2HE   LYS  52          1HE       LYS  52  -2.677   6.951  -9.955
  395   1HZ   LYS  52          1HZ       LYS  52  -3.955   8.813  -8.027
  396   2HZ   LYS  52          2HZ       LYS  52  -4.312   8.737  -9.679
  397   3HZ   LYS  52          3HZ       LYS  52  -2.769   9.209  -9.168
  398    H    VAL  53           H        VAL  53  -4.742   4.919  -3.761
  399    HA   VAL  53           HA       VAL  53  -7.238   3.433  -3.295
  400    HB   VAL  53           HB       VAL  53  -5.456   4.787  -1.269
  401   1HG1  VAL  53          1HG1      VAL  53  -7.491   4.872  -0.220
  402   2HG1  VAL  53          2HG1      VAL  53  -6.956   3.262   0.258
  403   3HG1  VAL  53          3HG1      VAL  53  -8.108   3.451  -1.062
  404   1HG2  VAL  53          1HG2      VAL  53  -5.859   1.900  -1.098
  405   2HG2  VAL  53          2HG2      VAL  53  -4.383   2.853  -0.945
  406   3HG2  VAL  53          3HG2      VAL  53  -4.993   2.423  -2.542
  407    H    GLN  54           H        GLN  54  -8.914   4.595  -3.924
  408    HA   GLN  54           HA       GLN  54  -9.012   7.457  -3.233
  409   1HB   GLN  54          2HB       GLN  54  -8.748   6.953  -5.698
  410   2HB   GLN  54          1HB       GLN  54 -10.341   6.211  -5.640
  411   1HG   GLN  54          2HG       GLN  54 -11.306   8.339  -4.927
  412   2HG   GLN  54          1HG       GLN  54  -9.709   9.082  -4.990
  413   1HE2  GLN  54          1HE2      GLN  54 -11.987   7.265  -7.008
  414   2HE2  GLN  54          2HE2      GLN  54 -11.642   8.119  -8.470
  415    H    LEU  55           H        LEU  55 -11.001   8.279  -2.568
  416    HA   LEU  55           HA       LEU  55 -12.853   6.259  -1.570
  417   1HB   LEU  55          2HB       LEU  55 -11.772   8.696  -0.522
  418   2HB   LEU  55          1HB       LEU  55 -13.527   8.810  -0.564
  419    HG   LEU  55           HG       LEU  55 -12.360   6.325   0.567
  420   1HD1  LEU  55          1HD1      LEU  55 -10.968   8.190   1.469
  421   2HD1  LEU  55          2HD1      LEU  55 -11.875   7.291   2.686
  422   3HD1  LEU  55          3HD1      LEU  55 -12.439   8.876   2.157
  423   1HD2  LEU  55          1HD2      LEU  55 -14.356   6.150   1.605
  424   2HD2  LEU  55          2HD2      LEU  55 -14.871   7.247   0.324
  425   3HD2  LEU  55          3HD2      LEU  55 -14.468   7.882   1.919
  426    H    VAL  56           H        VAL  56 -14.486   5.855  -2.888
  427    HA   VAL  56           HA       VAL  56 -15.738   8.073  -4.346
  428    HB   VAL  56           HB       VAL  56 -14.723   5.889  -5.501
  429   1HG1  VAL  56          1HG1      VAL  56 -17.628   5.219  -5.290
  430   2HG1  VAL  56          2HG1      VAL  56 -16.450   4.570  -4.150
  431   3HG1  VAL  56          3HG1      VAL  56 -16.302   4.214  -5.872
  432   1HG2  VAL  56          1HG2      VAL  56 -16.557   6.330  -7.300
  433   2HG2  VAL  56          2HG2      VAL  56 -15.395   7.596  -6.901
  434   3HG2  VAL  56          3HG2      VAL  56 -17.023   7.648  -6.226
  435    H    ASP  57           H        ASP  57 -17.883   8.365  -4.310
  436    HA   ASP  57           HA       ASP  57 -19.839   8.615  -3.103
  437   1HB   ASP  57          2HB       ASP  57 -21.312   6.637  -3.482
  438   2HB   ASP  57          1HB       ASP  57 -20.469   7.190  -4.929
  439    H    ASN  58           H        ASN  58 -18.174   8.553  -1.113
  440    HA   ASN  58           HA       ASN  58 -17.931   8.105   1.103
  441   1HB   ASN  58          2HB       ASN  58 -20.527   8.365   0.812
  442   2HB   ASN  58          1HB       ASN  58 -20.537   6.635   1.143
  443   1HD2  ASN  58          1HD2      ASN  58 -19.407   5.946   3.129
  444   2HD2  ASN  58          2HD2      ASN  58 -19.502   6.974   4.515
  445    H    VAL  59           H        VAL  59 -16.994   6.160  -0.857
  446    HA   VAL  59           HA       VAL  59 -16.879   3.828   0.920
  447    HB   VAL  59           HB       VAL  59 -17.626   3.879  -1.940
  448   1HG1  VAL  59          1HG1      VAL  59 -16.682   1.622  -2.341
  449   2HG1  VAL  59          2HG1      VAL  59 -15.745   1.790  -0.857
  450   3HG1  VAL  59          3HG1      VAL  59 -15.457   2.884  -2.212
  451   1HG2  VAL  59          1HG2      VAL  59 -18.975   3.138   0.144
  452   2HG2  VAL  59          2HG2      VAL  59 -18.055   1.641  -0.009
  453   3HG2  VAL  59          3HG2      VAL  59 -19.080   2.186  -1.337
  454    H    TYR  60           H        TYR  60 -14.918   2.603   0.782
  455    HA   TYR  60           HA       TYR  60 -12.661   4.311   0.075
  456   1HB   TYR  60          2HB       TYR  60 -12.633   1.733   1.645
  457   2HB   TYR  60          1HB       TYR  60 -11.348   2.934   1.534
  458    HD1  TYR  60           1HD      TYR  60 -11.854   5.285   2.458
  459    HD2  TYR  60           2HD      TYR  60 -14.216   1.867   3.351
  460    HE1  TYR  60           1HE      TYR  60 -12.755   6.433   4.437
  461    HE2  TYR  60           2HE      TYR  60 -15.125   3.001   5.332
  462    HH   TYR  60           HH       TYR  60 -13.780   5.755   6.652
  463    H    CYS  61           H        CYS  61 -11.956   4.079  -1.902
  464    HA   CYS  61           HA       CYS  61 -12.056   1.482  -3.239
  465   1HB   CYS  61          2HB       CYS  61 -11.242   4.102  -4.483
  466   2HB   CYS  61          1HB       CYS  61 -11.842   2.674  -5.281
  467    HG   CYS  61           HG       CYS  61 -14.079   3.510  -3.649
  468    H    ILE  62           H        ILE  62 -10.310   0.355  -3.847
  469    HA   ILE  62           HA       ILE  62  -7.658   1.568  -3.688
  470    HB   ILE  62           HB       ILE  62  -8.144  -1.137  -2.459
  471   1HG1  ILE  62          2HG1      ILE  62  -7.791   1.428  -0.907
  472   2HG1  ILE  62          1HG1      ILE  62  -9.381   0.747  -1.270
  473   1HG2  ILE  62          1HG2      ILE  62  -5.828   0.683  -2.795
  474   2HG2  ILE  62          2HG2      ILE  62  -5.898  -1.075  -2.825
  475   3HG2  ILE  62          3HG2      ILE  62  -5.926  -0.220  -1.283
  476   1HD1  ILE  62          1HD1      ILE  62  -9.207  -0.752   0.352
  477   2HD1  ILE  62          2HD1      ILE  62  -7.836   0.197   0.927
  478   3HD1  ILE  62          3HD1      ILE  62  -7.568  -1.198  -0.119
  479    H    GLY  63           H        GLY  63  -6.250   0.791  -5.194
  480   1HA   GLY  63          2HA       GLY  63  -5.567  -0.282  -7.111
  481   2HA   GLY  63          1HA       GLY  63  -6.403  -1.698  -6.479
  482    H    GLN  64           H        GLN  64  -8.410  -2.243  -7.271
  483    HA   GLN  64           HA       GLN  64  -9.653  -0.436  -9.218
  484   1HB   GLN  64          2HB       GLN  64  -8.240  -2.840  -9.870
  485   2HB   GLN  64          1HB       GLN  64  -9.944  -3.063 -10.243
  486   1HG   GLN  64          2HG       GLN  64  -9.956  -1.399 -11.831
  487   2HG   GLN  64          1HG       GLN  64  -8.551  -0.586 -11.142
  488   1HE2  GLN  64          1HE2      GLN  64  -9.554  -2.294 -13.711
  489   2HE2  GLN  64          2HE2      GLN  64  -8.063  -3.012 -14.206
  490    H    ARG  65           H        ARG  65 -10.063  -2.180  -6.491
  491    HA   ARG  65           HA       ARG  65 -12.878  -2.800  -7.089
  492   1HB   ARG  65          2HB       ARG  65 -11.047  -4.588  -6.249
  493   2HB   ARG  65          1HB       ARG  65 -11.602  -3.992  -4.691
  494   1HG   ARG  65          2HG       ARG  65 -13.145  -5.602  -4.902
  495   2HG   ARG  65          1HG       ARG  65 -13.967  -4.422  -5.923
  496   1HD   ARG  65          2HD       ARG  65 -12.140  -5.701  -7.604
  497   2HD   ARG  65          1HD       ARG  65 -12.835  -6.984  -6.616
  498    HE   ARG  65           HE       ARG  65 -14.879  -6.636  -7.626
  499   1HH1  ARG  65          1HH1      ARG  65 -12.655  -4.112  -8.564
  500   2HH1  ARG  65          2HH1      ARG  65 -13.685  -3.499  -9.812
  501   1HH2  ARG  65          1HH2      ARG  65 -16.233  -5.826  -9.267
  502   2HH2  ARG  65          2HH2      ARG  65 -15.715  -4.470 -10.211
  503    H    ARG  66           H        ARG  66 -14.316  -2.652  -5.099
  504    HA   ARG  66           HA       ARG  66 -13.584  -0.249  -3.565
  505   1HB   ARG  66          2HB       ARG  66 -16.391  -1.168  -4.133
  506   2HB   ARG  66          1HB       ARG  66 -15.838   0.404  -3.585
  507   1HG   ARG  66          2HG       ARG  66 -15.483  -0.797  -6.316
  508   2HG   ARG  66          1HG       ARG  66 -16.472   0.597  -5.876
  509   1HD   ARG  66          2HD       ARG  66 -14.249   1.603  -5.032
  510   2HD   ARG  66          1HD       ARG  66 -13.486   0.370  -6.029
  511    HE   ARG  66           HE       ARG  66 -14.754   2.764  -6.928
  512   1HH1  ARG  66          1HH1      ARG  66 -14.059  -0.542  -7.805
  513   2HH1  ARG  66          2HH1      ARG  66 -14.131  -0.237  -9.507
  514   1HH2  ARG  66          1HH2      ARG  66 -14.849   3.167  -9.167
  515   2HH2  ARG  66          2HH2      ARG  66 -14.578   1.869 -10.281
  516    H    PHE  67           H        PHE  67 -13.453  -0.457  -1.462
  517    HA   PHE  67           HA       PHE  67 -14.887  -2.619  -0.101
  518   1HB   PHE  67          2HB       PHE  67 -11.925  -2.099  -0.002
  519   2HB   PHE  67          1HB       PHE  67 -12.764  -2.988   1.271
  520    HD1  PHE  67           1HD      PHE  67 -14.441  -4.849   0.240
  521    HD2  PHE  67           2HD      PHE  67 -10.892  -3.381  -1.592
  522    HE1  PHE  67           1HE      PHE  67 -14.276  -6.914  -1.086
  523    HE2  PHE  67           2HE      PHE  67 -10.720  -5.444  -2.922
  524    HZ   PHE  67           HZ       PHE  67 -12.414  -7.214  -2.670
  525    H    HIS  68           H        HIS  68 -14.984  -2.367   2.247
  526    HA   HIS  68           HA       HIS  68 -15.403   0.416   2.944
  527   1HB   HIS  68          2HB       HIS  68 -17.118  -1.265   3.502
  528   2HB   HIS  68          1HB       HIS  68 -15.959  -2.101   4.530
  529    HD1  HIS  68           1HD      HIS  68 -17.010  -1.743   6.778
  530    HD2  HIS  68           2HD      HIS  68 -16.614   1.788   4.623
  531    HE1  HIS  68           1HE      HIS  68 -17.621   0.095   8.382
  532    HE2  HIS  68           2HE      HIS  68 -17.295   2.227   7.080
  533    H    THR  69           H        THR  69 -12.710  -0.115   2.589
  534    HA   THR  69           HA       THR  69 -11.684   0.512   5.226
  535    HB   THR  69           HB       THR  69 -11.620  -2.046   4.815
  536    HG1  THR  69           1HG      THR  69 -10.119  -2.020   6.281
  537   1HG2  THR  69          1HG2      THR  69 -10.637  -1.891   2.529
  538   2HG2  THR  69          2HG2      THR  69  -9.759  -2.937   3.646
  539   3HG2  THR  69          3HG2      THR  69  -9.142  -1.327   3.276
  540    H    MET  70           H        MET  70  -9.502   1.441   5.156
  541    HA   MET  70           HA       MET  70  -7.916   1.797   2.945
  542   1HB   MET  70          2HB       MET  70  -9.444   2.924   1.640
  543   2HB   MET  70          1HB       MET  70 -10.247   3.661   3.017
  544   1HG   MET  70          2HG       MET  70  -8.228   5.129   3.283
  545   2HG   MET  70          1HG       MET  70  -7.644   4.484   1.752
  546   1HE   MET  70          1HE       MET  70 -10.960   5.237  -0.299
  547   2HE   MET  70          2HE       MET  70  -9.772   3.997   0.099
  548   3HE   MET  70          3HE       MET  70  -9.296   5.399  -0.858
  549    H    ASP  71           H        ASP  71  -6.079   2.519   3.699
  550    HA   ASP  71           HA       ASP  71  -4.537   3.829   4.785
  551   1HB   ASP  71          2HB       ASP  71  -6.585   5.510   4.892
  552   2HB   ASP  71          1HB       ASP  71  -6.556   5.071   6.601
  553    H    GLU  72           H        GLU  72  -7.089   2.212   6.553
  554    HA   GLU  72           HA       GLU  72  -5.244   1.684   8.769
  555   1HB   GLU  72          2HB       GLU  72  -7.887   2.358   8.827
  556   2HB   GLU  72          1HB       GLU  72  -7.989   0.605   8.900
  557   1HG   GLU  72          2HG       GLU  72  -7.975   1.467  11.125
  558   2HG   GLU  72          1HG       GLU  72  -6.446   0.639  10.832
  559    H    LEU  73           H        LEU  73  -6.601   0.327   5.969
  560    HA   LEU  73           HA       LEU  73  -6.432  -2.413   6.719
  561   1HB   LEU  73          2HB       LEU  73  -6.741  -2.846   4.296
  562   2HB   LEU  73          1HB       LEU  73  -7.971  -1.814   4.996
  563    HG   LEU  73           HG       LEU  73  -7.551  -0.160   3.537
  564   1HD1  LEU  73          1HD1      LEU  73  -5.483   0.499   4.754
  565   2HD1  LEU  73          2HD1      LEU  73  -5.416   0.793   3.024
  566   3HD1  LEU  73          3HD1      LEU  73  -4.577  -0.592   3.711
  567   1HD2  LEU  73          1HD2      LEU  73  -5.929  -2.365   2.336
  568   2HD2  LEU  73          2HD2      LEU  73  -6.208  -0.835   1.506
  569   3HD2  LEU  73          3HD2      LEU  73  -7.572  -1.868   1.939
  570    H    VAL  74           H        VAL  74  -4.086  -0.158   5.959
  571    HA   VAL  74           HA       VAL  74  -2.299  -2.017   4.673
  572    HB   VAL  74           HB       VAL  74  -1.202   0.466   5.827
  573   1HG1  VAL  74          1HG1      VAL  74  -0.035   0.527   3.695
  574   2HG1  VAL  74          2HG1      VAL  74  -1.077  -0.744   3.068
  575   3HG1  VAL  74          3HG1      VAL  74   0.057  -1.097   4.371
  576   1HG2  VAL  74          1HG2      VAL  74  -2.918   0.681   3.361
  577   2HG2  VAL  74          2HG2      VAL  74  -2.174   1.973   4.301
  578   3HG2  VAL  74          3HG2      VAL  74  -3.530   1.078   4.965
  579    H    GLU  75           H        GLU  75  -3.314  -1.426   7.771
  580    HA   GLU  75           HA       GLU  75  -0.776  -2.080   9.048
  581   1HB   GLU  75          2HB       GLU  75  -1.810  -1.583  11.117
  582   2HB   GLU  75          1HB       GLU  75  -2.403  -0.376   9.987
  583   1HG   GLU  75          2HG       GLU  75  -4.465  -0.901  10.577
  584   2HG   GLU  75          1HG       GLU  75  -4.228  -2.500   9.871
  585    H    HIS  76           H        HIS  76  -3.628  -3.641   7.953
  586    HA   HIS  76           HA       HIS  76  -2.607  -6.196   8.908
  587   1HB   HIS  76          2HB       HIS  76  -5.136  -4.936   9.804
  588   2HB   HIS  76          1HB       HIS  76  -5.226  -6.642   9.380
  589    HD1  HIS  76           1HD      HIS  76  -2.879  -7.916  10.561
  590    HD2  HIS  76           2HD      HIS  76  -4.773  -4.746  12.466
  591    HE1  HIS  76           1HE      HIS  76  -2.235  -8.106  12.984
  592    HE2  HIS  76           2HE      HIS  76  -3.466  -6.231  14.132
  593    H    TYR  77           H        TYR  77  -3.011  -4.686   6.328
  594    HA   TYR  77           HA       TYR  77  -3.901  -4.930   4.243
  595   1HB   TYR  77          2HB       TYR  77  -3.550  -7.440   3.534
  596   2HB   TYR  77          1HB       TYR  77  -2.183  -6.370   3.824
  597    HD1  TYR  77           1HD      TYR  77  -0.604  -6.869   5.507
  598    HD2  TYR  77           2HD      TYR  77  -4.259  -9.041   5.349
  599    HE1  TYR  77           1HE      TYR  77   0.270  -8.451   7.176
  600    HE2  TYR  77           2HE      TYR  77  -3.396 -10.627   7.018
  601    HH   TYR  77           HH       TYR  77  -1.722 -10.752   8.749
  602    H    LYS  78           H        LYS  78  -6.093  -4.529   5.400
  603    HA   LYS  78           HA       LYS  78  -7.929  -6.650   5.691
  604   1HB   LYS  78          2HB       LYS  78  -8.557  -3.773   4.996
  605   2HB   LYS  78          1HB       LYS  78  -9.644  -4.938   5.742
  606   1HG   LYS  78          2HG       LYS  78  -7.087  -4.321   7.122
  607   2HG   LYS  78          1HG       LYS  78  -8.383  -3.119   7.162
  608   1HD   LYS  78          2HD       LYS  78  -9.771  -5.358   7.759
  609   2HD   LYS  78          1HD       LYS  78  -8.202  -5.763   8.456
  610   1HE   LYS  78          2HE       LYS  78  -8.524  -3.202   9.311
  611   2HE   LYS  78          1HE       LYS  78 -10.194  -3.775   9.298
  612   1HZ   LYS  78          1HZ       LYS  78  -9.117  -4.162  11.433
  613   2HZ   LYS  78          2HZ       LYS  78  -7.931  -5.109  10.687
  614   3HZ   LYS  78          3HZ       LYS  78  -9.542  -5.625  10.696
  615    H    LYS  79           H        LYS  79  -9.893  -4.990   3.794
  616    HA   LYS  79           HA       LYS  79  -9.647  -6.853   1.632
  617   1HB   LYS  79          2HB       LYS  79 -11.454  -4.459   1.942
  618   2HB   LYS  79          1HB       LYS  79 -11.581  -5.679   0.683
  619   1HG   LYS  79          2HG       LYS  79 -11.849  -6.211   3.630
  620   2HG   LYS  79          1HG       LYS  79 -13.183  -6.021   2.496
  621   1HD   LYS  79          2HD       LYS  79 -12.564  -7.982   1.302
  622   2HD   LYS  79          1HD       LYS  79 -11.037  -8.103   2.178
  623   1HE   LYS  79          2HE       LYS  79 -13.820  -8.564   3.218
  624   2HE   LYS  79          1HE       LYS  79 -12.488  -9.715   3.130
  625   1HZ   LYS  79          1HZ       LYS  79 -12.903  -7.501   5.021
  626   2HZ   LYS  79          2HZ       LYS  79 -11.330  -8.027   4.689
  627   3HZ   LYS  79          3HZ       LYS  79 -12.464  -9.105   5.330
  628    H    ALA  80           H        ALA  80  -7.356  -5.968   1.375
  629    HA   ALA  80           HA       ALA  80  -7.284  -3.692  -0.470
  630   1HB   ALA  80          1HB       ALA  80  -5.563  -4.504   1.660
  631   2HB   ALA  80          2HB       ALA  80  -5.499  -3.048   0.668
  632   3HB   ALA  80          3HB       ALA  80  -4.661  -4.502   0.145
  633    HA   PRO  81           HA       PRO  81  -6.424  -6.120  -4.075
  634   1HB   PRO  81          2HB       PRO  81  -4.157  -4.849  -5.029
  635   2HB   PRO  81          1HB       PRO  81  -5.817  -4.283  -5.302
  636   1HG   PRO  81          2HG       PRO  81  -3.842  -3.443  -3.208
  637   2HG   PRO  81          1HG       PRO  81  -4.894  -2.424  -4.219
  638   1HD   PRO  81          2HD       PRO  81  -5.570  -2.920  -1.708
  639   2HD   PRO  81          1HD       PRO  81  -6.812  -2.995  -2.980
  640    H    ILE  82           H        ILE  82  -4.729  -6.430  -1.366
  641    HA   ILE  82           HA       ILE  82  -2.232  -7.391  -2.052
  642    HB   ILE  82           HB       ILE  82  -3.817  -8.530   0.221
  643   1HG1  ILE  82          2HG1      ILE  82  -4.212  -6.176   0.451
  644   2HG1  ILE  82          1HG1      ILE  82  -2.976  -6.645   1.615
  645   1HG2  ILE  82          1HG2      ILE  82  -1.696  -9.502  -0.199
  646   2HG2  ILE  82          2HG2      ILE  82  -1.546  -8.481   1.234
  647   3HG2  ILE  82          3HG2      ILE  82  -0.952  -7.910  -0.324
  648   1HD1  ILE  82          1HD1      ILE  82  -2.083  -5.594  -1.011
  649   2HD1  ILE  82          2HD1      ILE  82  -1.353  -5.443   0.587
  650   3HD1  ILE  82          3HD1      ILE  82  -2.762  -4.468   0.163
  651    H    PHE  83           H        PHE  83  -1.512  -9.325  -2.731
  652    HA   PHE  83           HA       PHE  83  -3.418 -11.544  -2.931
  653   1HB   PHE  83          2HB       PHE  83  -3.119  -9.929  -5.069
  654   2HB   PHE  83          1HB       PHE  83  -1.837 -11.102  -5.387
  655    HD1  PHE  83           1HD      PHE  83  -2.353 -13.397  -5.903
  656    HD2  PHE  83           2HD      PHE  83  -5.448 -10.600  -5.058
  657    HE1  PHE  83           1HE      PHE  83  -4.016 -14.967  -6.813
  658    HE2  PHE  83           2HE      PHE  83  -7.116 -12.165  -5.965
  659    HZ   PHE  83           HZ       PHE  83  -6.401 -14.352  -6.843
  660    H    THR  84           H        THR  84  -2.545 -13.594  -3.389
  661    HA   THR  84           HA       THR  84   0.363 -13.863  -3.120
  662    HB   THR  84           HB       THR  84  -1.675 -15.497  -1.592
  663    HG1  THR  84           1HG      THR  84  -1.246 -13.391  -0.735
  664   1HG2  THR  84          1HG2      THR  84  -0.126 -17.026  -1.226
  665   2HG2  THR  84          2HG2      THR  84   0.998 -15.795  -0.650
  666   3HG2  THR  84          3HG2      THR  84   0.933 -16.197  -2.366
  667    H    SER  85           H        SER  85   1.020 -14.836  -4.929
  668    HA   SER  85           HA       SER  85  -0.789 -16.505  -6.446
  669   1HB   SER  85          2HB       SER  85   1.121 -14.738  -7.214
  670   2HB   SER  85          1HB       SER  85   2.007 -16.256  -7.357
  671    HG   SER  85           HG       SER  85   0.473 -17.001  -8.781
  672    H    GLU  86           H        GLU  86  -1.042 -18.499  -5.752
  673    HA   GLU  86           HA       GLU  86  -0.618 -20.560  -4.852
  674   1HB   GLU  86          2HB       GLU  86   0.399 -20.285  -7.383
  675   2HB   GLU  86          1HB       GLU  86   1.767 -20.960  -6.510
  676   1HG   GLU  86          2HG       GLU  86  -0.945 -22.192  -6.266
  677   2HG   GLU  86          1HG       GLU  86   0.084 -22.544  -7.654
  678    H    HIS  87           H        HIS  87   0.244 -19.107  -2.916
  679    HA   HIS  87           HA       HIS  87   1.769 -18.787  -1.240
  680   1HB   HIS  87          2HB       HIS  87   1.108 -21.212  -1.048
  681   2HB   HIS  87          1HB       HIS  87   2.582 -21.617  -1.920
  682    HD1  HIS  87           1HD      HIS  87   2.202 -19.095   0.890
  683    HD2  HIS  87           2HD      HIS  87   4.094 -22.702   0.067
  684    HE1  HIS  87           1HE      HIS  87   3.677 -19.548   2.876
  685    HE2  HIS  87           2HE      HIS  87   4.880 -21.689   2.314
  686    H    GLY  88           H        GLY  88   2.688 -18.148  -3.989
  687   1HA   GLY  88          2HA       GLY  88   5.596 -18.438  -3.544
  688   2HA   GLY  88          1HA       GLY  88   4.858 -18.403  -5.144
  689    H    GLU  89           H        GLU  89   3.816 -16.411  -5.832
  690    HA   GLU  89           HA       GLU  89   5.395 -14.135  -5.126
  691   1HB   GLU  89          2HB       GLU  89   3.216 -14.710  -7.064
  692   2HB   GLU  89          1HB       GLU  89   3.473 -13.027  -6.610
  693   1HG   GLU  89          2HG       GLU  89   5.208 -12.893  -7.962
  694   2HG   GLU  89          1HG       GLU  89   5.984 -14.226  -7.106
  695    H    LYS  90           H        LYS  90   5.021 -12.684  -3.591
  696    HA   LYS  90           HA       LYS  90   2.302 -12.619  -2.456
  697   1HB   LYS  90          2HB       LYS  90   4.929 -12.579  -0.987
  698   2HB   LYS  90          1HB       LYS  90   3.385 -12.177  -0.239
  699   1HG   LYS  90          2HG       LYS  90   2.697 -14.329  -0.177
  700   2HG   LYS  90          1HG       LYS  90   3.516 -14.751  -1.682
  701   1HD   LYS  90          2HD       LYS  90   5.602 -14.976  -0.599
  702   2HD   LYS  90          1HD       LYS  90   5.016 -14.178   0.862
  703   1HE   LYS  90          2HE       LYS  90   3.295 -16.322   0.538
  704   2HE   LYS  90          1HE       LYS  90   4.868 -16.972   0.076
  705   1HZ   LYS  90          1HZ       LYS  90   4.235 -15.593   2.631
  706   2HZ   LYS  90          2HZ       LYS  90   5.760 -16.176   2.188
  707   3HZ   LYS  90          3HZ       LYS  90   4.481 -17.256   2.431
  708    H    LEU  91           H        LEU  91   1.341 -10.784  -2.330
  709    HA   LEU  91           HA       LEU  91   2.898  -8.273  -2.359
  710   1HB   LEU  91          2HB       LEU  91   0.017  -8.204  -3.100
  711   2HB   LEU  91          1HB       LEU  91   1.344  -7.226  -3.697
  712    HG   LEU  91           HG       LEU  91   0.773 -10.068  -4.520
  713   1HD1  LEU  91          1HD1      LEU  91  -0.178  -9.213  -6.451
  714   2HD1  LEU  91          2HD1      LEU  91   0.537  -7.618  -6.212
  715   3HD1  LEU  91          3HD1      LEU  91  -0.800  -8.147  -5.191
  716   1HD2  LEU  91          1HD2      LEU  91   3.000  -9.937  -4.938
  717   2HD2  LEU  91          2HD2      LEU  91   2.995  -8.175  -5.011
  718   3HD2  LEU  91          3HD2      LEU  91   2.419  -9.117  -6.386
  719    H    TYR  92           H        TYR  92   2.569  -7.018  -0.587
  720    HA   TYR  92           HA       TYR  92   0.149  -7.394   0.989
  721   1HB   TYR  92          2HB       TYR  92   2.832  -8.263   1.811
  722   2HB   TYR  92          1HB       TYR  92   1.969  -7.302   3.010
  723    HD1  TYR  92           1HD      TYR  92  -0.521  -8.070   3.440
  724    HD2  TYR  92           2HD      TYR  92   2.509 -10.541   1.766
  725    HE1  TYR  92           1HE      TYR  92  -1.786 -10.068   4.114
  726    HE2  TYR  92           2HE      TYR  92   1.253 -12.546   2.434
  727    HH   TYR  92           HH       TYR  92  -1.441 -12.407   4.553
  728    H    LEU  93           H        LEU  93   0.122  -5.814   2.863
  729    HA   LEU  93           HA       LEU  93   1.146  -3.238   1.894
  730   1HB   LEU  93          2HB       LEU  93  -1.346  -4.085   3.303
  731   2HB   LEU  93          1HB       LEU  93  -0.763  -2.453   3.524
  732    HG   LEU  93           HG       LEU  93  -1.384  -3.683   0.858
  733   1HD1  LEU  93          1HD1      LEU  93  -3.404  -3.482   2.213
  734   2HD1  LEU  93          2HD1      LEU  93  -3.416  -2.339   0.870
  735   3HD1  LEU  93          3HD1      LEU  93  -3.038  -1.780   2.499
  736   1HD2  LEU  93          1HD2      LEU  93   0.021  -1.334   1.533
  737   2HD2  LEU  93          2HD2      LEU  93  -1.531  -0.858   0.844
  738   3HD2  LEU  93          3HD2      LEU  93  -0.450  -1.915  -0.063
  739    H    VAL  94           H        VAL  94   3.102  -4.360   3.179
  740    HA   VAL  94           HA       VAL  94   2.950  -3.920   6.021
  741    HB   VAL  94           HB       VAL  94   4.194  -5.848   5.165
  742   1HG1  VAL  94          1HG1      VAL  94   5.249  -4.092   3.311
  743   2HG1  VAL  94          2HG1      VAL  94   5.719  -5.772   3.566
  744   3HG1  VAL  94          3HG1      VAL  94   6.605  -4.481   4.369
  745   1HG2  VAL  94          1HG2      VAL  94   5.107  -5.625   7.180
  746   2HG2  VAL  94          2HG2      VAL  94   5.241  -3.875   7.014
  747   3HG2  VAL  94          3HG2      VAL  94   6.495  -4.922   6.350
  748    H    ARG  95           H        ARG  95   6.049  -3.087   5.317
  749    HA   ARG  95           HA       ARG  95   5.704  -0.365   4.572
  750   1HB   ARG  95          2HB       ARG  95   5.966  -1.060   7.462
  751   2HB   ARG  95          1HB       ARG  95   6.840   0.355   6.848
  752   1HG   ARG  95          2HG       ARG  95   4.950   1.451   7.312
  753   2HG   ARG  95          1HG       ARG  95   4.363   0.750   5.799
  754   1HD   ARG  95          2HD       ARG  95   2.669   0.084   7.163
  755   2HD   ARG  95          1HD       ARG  95   3.772  -1.269   7.435
  756    HE   ARG  95           HE       ARG  95   4.068  -0.551   9.590
  757   1HH1  ARG  95          1HH1      ARG  95   2.566   1.999   7.741
  758   2HH1  ARG  95          2HH1      ARG  95   2.257   2.992   9.125
  759   1HH2  ARG  95          1HH2      ARG  95   3.664   0.754  11.412
  760   2HH2  ARG  95          2HH2      ARG  95   2.880   2.285  11.210
  761    H    ALA  96           H        ALA  96   7.770   0.890   5.165
  762    HA   ALA  96           HA       ALA  96   9.928  -0.448   3.870
  763   1HB   ALA  96          1HB       ALA  96   9.403   1.928   3.557
  764   2HB   ALA  96          2HB       ALA  96  11.058   1.694   4.123
  765   3HB   ALA  96          3HB       ALA  96   9.808   2.230   5.246
  766    H    LEU  97           H        LEU  97  10.636  -2.130   5.208
  767    HA   LEU  97           HA       LEU  97  11.961  -1.278   7.698
  768   1HB   LEU  97          2HB       LEU  97  10.571  -3.901   7.149
  769   2HB   LEU  97          1HB       LEU  97  11.516  -3.553   8.584
  770    HG   LEU  97           HG       LEU  97   9.335  -1.647   8.030
  771   1HD1  LEU  97          1HD1      LEU  97   8.576  -4.308   9.168
  772   2HD1  LEU  97          2HD1      LEU  97   8.486  -4.007   7.433
  773   3HD1  LEU  97          3HD1      LEU  97   7.541  -3.021   8.549
  774   1HD2  LEU  97          1HD2      LEU  97  10.680  -1.472  10.031
  775   2HD2  LEU  97          2HD2      LEU  97  10.286  -3.133  10.475
  776   3HD2  LEU  97          3HD2      LEU  97   9.025  -1.901  10.462
  777    H    GLN  98           H        GLN  98  13.808  -0.941   6.252
  778    HA   GLN  98           HA       GLN  98  15.853  -1.542   5.458
  779   1HB   GLN  98          2HB       GLN  98  15.277  -4.190   6.799
  780   2HB   GLN  98          1HB       GLN  98  16.853  -3.622   6.266
  781   1HG   GLN  98          2HG       GLN  98  15.203  -2.171   8.312
  782   2HG   GLN  98          1HG       GLN  98  16.367  -3.428   8.728
  783   1HE2  GLN  98          1HE2      GLN  98  16.012  -0.293   7.169
  784   2HE2  GLN  98          2HE2      GLN  98  17.629   0.241   7.461
  Start of MODEL    5
    1   1H    ARG   1          1HT       ARG   1  14.483   0.845   8.581
    2   2H    ARG   1          2HT       ARG   1  14.830   0.972  10.257
    3   3H    ARG   1          3HT       ARG   1  14.906   2.363   9.255
    4    HA   ARG   1           HA       ARG   1  12.447   0.809   9.579
    5   1HB   ARG   1          2HB       ARG   1  12.050   2.939  11.191
    6   2HB   ARG   1          1HB       ARG   1  12.597   1.373  11.772
    7   1HG   ARG   1          2HG       ARG   1  14.774   2.092  12.063
    8   2HG   ARG   1          1HG       ARG   1  14.590   3.435  10.933
    9   1HD   ARG   1          2HD       ARG   1  13.373   3.209  13.683
   10   2HD   ARG   1          1HD       ARG   1  14.692   4.273  13.201
   11    HE   ARG   1           HE       ARG   1  12.518   4.851  11.565
   12   1HH1  ARG   1          1HH1      ARG   1  13.352   5.034  14.948
   13   2HH1  ARG   1          2HH1      ARG   1  12.312   6.383  15.261
   14   1HH2  ARG   1          1HH2      ARG   1  11.149   6.626  11.973
   15   2HH2  ARG   1          2HH2      ARG   1  11.059   7.286  13.572
   16    H    GLU   2           H        GLU   2  13.225   4.259   9.807
   17    HA   GLU   2           HA       GLU   2  12.398   6.059   8.681
   18   1HB   GLU   2          2HB       GLU   2  13.466   4.187   6.696
   19   2HB   GLU   2          1HB       GLU   2  12.303   5.325   6.029
   20   1HG   GLU   2          2HG       GLU   2  13.695   7.067   6.232
   21   2HG   GLU   2          1HG       GLU   2  14.315   6.523   7.790
   22    H    TRP   3           H        TRP   3  10.294   6.087   9.504
   23    HA   TRP   3           HA       TRP   3   8.241   5.682   7.543
   24   1HB   TRP   3          2HB       TRP   3   6.842   4.228   9.074
   25   2HB   TRP   3          1HB       TRP   3   8.225   3.433   8.315
   26    HD1  TRP   3           HD       TRP   3   9.392   5.531  11.137
   27    HE1  TRP   3           1HE      TRP   3   9.864   4.073  13.204
   28    HE3  TRP   3           3HE      TRP   3   7.147   1.198   9.608
   29    HZ2  TRP   3           2HZ      TRP   3   9.353   1.438  14.072
   30    HZ3  TRP   3           3HZ      TRP   3   7.183  -0.745  11.118
   31    HH2  TRP   3           HH       TRP   3   8.264  -0.625  13.304
   32    H    TYR   4           H        TYR   4   7.963   7.906   7.828
   33    HA   TYR   4           HA       TYR   4   7.384   9.041  10.392
   34   1HB   TYR   4          2HB       TYR   4   8.397  10.437   8.695
   35   2HB   TYR   4          1HB       TYR   4   7.063  10.125   7.584
   36    HD1  TYR   4           1HD      TYR   4   5.902  12.089   7.230
   37    HD2  TYR   4           2HD      TYR   4   7.165  11.145  11.181
   38    HE1  TYR   4           1HE      TYR   4   4.731  14.079   8.073
   39    HE2  TYR   4           2HE      TYR   4   5.996  13.133  12.036
   40    HH   TYR   4           HH       TYR   4   3.727  14.828  10.277
   41    H    TYR   5           H        TYR   5   5.505   9.040  11.430
   42    HA   TYR   5           HA       TYR   5   3.285   8.889  11.894
   43   1HB   TYR   5          2HB       TYR   5   3.355  10.506   9.734
   44   2HB   TYR   5          1HB       TYR   5   2.400   9.178   9.083
   45    HD1  TYR   5           1HD      TYR   5   0.159   9.716   9.073
   46    HD2  TYR   5           2HD      TYR   5   2.519  10.874  12.419
   47    HE1  TYR   5           1HE      TYR   5  -1.848  10.619  10.169
   48    HE2  TYR   5           2HE      TYR   5   0.518  11.779  13.524
   49    HH   TYR   5           HH       TYR   5  -1.685  12.581  12.977
   50    H    GLY   6           H        GLY   6   4.966   6.629  10.525
   51   1HA   GLY   6          2HA       GLY   6   4.637   4.386  10.194
   52   2HA   GLY   6          1HA       GLY   6   3.025   4.602  10.854
   53    H    ASN   7           H        ASN   7   3.585   6.636   8.192
   54    HA   ASN   7           HA       ASN   7   2.879   4.714   6.166
   55   1HB   ASN   7          2HB       ASN   7   0.847   6.735   5.973
   56   2HB   ASN   7          1HB       ASN   7   0.664   4.992   6.099
   57   1HD2  ASN   7          1HD2      ASN   7   0.553   8.005   7.752
   58   2HD2  ASN   7          2HD2      ASN   7  -0.046   7.406   9.258
   59    H    VAL   8           H        VAL   8   4.325   5.324   4.687
   60    HA   VAL   8           HA       VAL   8   4.163   8.018   3.611
   61    HB   VAL   8           HB       VAL   8   6.917   6.997   4.096
   62   1HG1  VAL   8          1HG1      VAL   8   7.109   9.583   4.478
   63   2HG1  VAL   8          2HG1      VAL   8   5.555   9.616   3.645
   64   3HG1  VAL   8          3HG1      VAL   8   6.971   8.932   2.845
   65   1HG2  VAL   8          1HG2      VAL   8   5.141   8.275   6.163
   66   2HG2  VAL   8          2HG2      VAL   8   6.899   8.242   6.276
   67   3HG2  VAL   8          3HG2      VAL   8   5.988   6.732   6.271
   68    H    THR   9           H        THR   9   5.390   8.231   1.559
   69    HA   THR   9           HA       THR   9   6.494   6.120   0.142
   70    HB   THR   9           HB       THR   9   3.545   6.187   0.211
   71    HG1  THR   9           1HG      THR   9   3.884   3.993  -0.268
   72   1HG2  THR   9          1HG2      THR   9   4.789   5.398  -2.397
   73   2HG2  THR   9          2HG2      THR   9   4.020   6.965  -2.147
   74   3HG2  THR   9          3HG2      THR   9   3.082   5.485  -1.971
   75    H    ARG  10           H        ARG  10   6.110   6.670  -2.432
   76    HA   ARG  10           HA       ARG  10   6.298   8.156  -4.143
   77   1HB   ARG  10          2HB       ARG  10   4.616   9.620  -3.555
   78   2HB   ARG  10          1HB       ARG  10   5.308   9.956  -1.989
   79   1HG   ARG  10          2HG       ARG  10   5.668  11.954  -3.021
   80   2HG   ARG  10          1HG       ARG  10   7.175  11.136  -3.438
   81   1HD   ARG  10          2HD       ARG  10   5.238  10.448  -5.395
   82   2HD   ARG  10          1HD       ARG  10   5.177  12.195  -5.165
   83    HE   ARG  10           HE       ARG  10   7.835  11.117  -5.479
   84   1HH1  ARG  10          1HH1      ARG  10   5.040  12.434  -7.104
   85   2HH1  ARG  10          2HH1      ARG  10   5.931  12.927  -8.504
   86   1HH2  ARG  10          1HH2      ARG  10   9.008  11.765  -7.321
   87   2HH2  ARG  10          2HH2      ARG  10   8.183  12.547  -8.628
   88    H    HIS  11           H        HIS  11   7.633   9.458  -1.131
   89    HA   HIS  11           HA       HIS  11  10.170   9.970  -2.509
   90   1HB   HIS  11          2HB       HIS  11   9.175  11.807  -1.139
   91   2HB   HIS  11          1HB       HIS  11   9.312  10.779   0.284
   92    HD1  HIS  11           1HD      HIS  11  12.223  10.244  -1.744
   93    HD2  HIS  11           2HD      HIS  11  11.021  13.131   0.992
   94    HE1  HIS  11           1HE      HIS  11  14.331  11.417  -1.035
   95    HE2  HIS  11           2HE      HIS  11  13.589  13.101   0.686
   96    H    GLN  12           H        GLN  12   8.819   8.450   0.392
   97    HA   GLN  12           HA       GLN  12  11.260   7.058   0.996
   98   1HB   GLN  12          2HB       GLN  12   8.493   6.609   2.131
   99   2HB   GLN  12          1HB       GLN  12  10.021   6.053   2.820
  100   1HG   GLN  12          2HG       GLN  12   9.784   8.956   2.358
  101   2HG   GLN  12          1HG       GLN  12   8.745   8.273   3.611
  102   1HE2  GLN  12          1HE2      GLN  12  10.982  10.103   3.880
  103   2HE2  GLN  12          2HE2      GLN  12  12.122   9.329   4.922
  104    H    ALA  13           H        ALA  13   8.198   6.334  -0.621
  105    HA   ALA  13           HA       ALA  13   8.434   3.547  -0.723
  106   1HB   ALA  13          1HB       ALA  13   7.262   5.193  -2.940
  107   2HB   ALA  13          2HB       ALA  13   6.448   4.956  -1.395
  108   3HB   ALA  13          3HB       ALA  13   6.809   3.571  -2.420
  109    H    GLU  14           H        GLU  14  10.248   5.972  -2.362
  110    HA   GLU  14           HA       GLU  14  11.252   4.069  -4.338
  111   1HB   GLU  14          2HB       GLU  14  12.558   6.699  -4.135
  112   2HB   GLU  14          1HB       GLU  14  12.036   5.803  -5.555
  113   1HG   GLU  14          2HG       GLU  14   9.894   6.887  -3.859
  114   2HG   GLU  14          1HG       GLU  14  10.911   8.061  -4.683
  115    H    CYS  15           H        CYS  15  12.306   6.101  -1.684
  116    HA   CYS  15           HA       CYS  15  14.971   5.067  -1.631
  117   1HB   CYS  15          2HB       CYS  15  13.347   6.908   0.025
  118   2HB   CYS  15          1HB       CYS  15  14.678   6.100   0.846
  119    HG   CYS  15           HG       CYS  15  16.245   7.623  -0.246
  120    H    ALA  16           H        ALA  16  12.132   3.532  -0.924
  121    HA   ALA  16           HA       ALA  16  13.371   1.933   1.201
  122   1HB   ALA  16          1HB       ALA  16  10.490   2.544   0.635
  123   2HB   ALA  16          2HB       ALA  16  11.417   2.874   2.100
  124   3HB   ALA  16          3HB       ALA  16  10.979   1.215   1.687
  125    H    LEU  17           H        LEU  17  11.709   1.775  -1.890
  126    HA   LEU  17           HA       LEU  17  12.445  -1.076  -2.008
  127   1HB   LEU  17          2HB       LEU  17  10.350  -0.378  -3.889
  128   2HB   LEU  17          1HB       LEU  17  10.430  -1.698  -2.726
  129    HG   LEU  17           HG       LEU  17   9.533   1.109  -2.141
  130   1HD1  LEU  17          1HD1      LEU  17   7.742   0.253  -3.270
  131   2HD1  LEU  17          2HD1      LEU  17   7.377  -0.281  -1.630
  132   3HD1  LEU  17          3HD1      LEU  17   8.091  -1.405  -2.784
  133   1HD2  LEU  17          1HD2      LEU  17  10.544  -0.895  -0.429
  134   2HD2  LEU  17          2HD2      LEU  17   8.807  -0.772  -0.146
  135   3HD2  LEU  17          3HD2      LEU  17   9.828   0.657   0.002
  136    H    ASN  18           H        ASN  18  13.258   1.867  -3.070
  137    HA   ASN  18           HA       ASN  18  14.344   2.740  -4.876
  138   1HB   ASN  18          2HB       ASN  18  15.917   1.041  -4.236
  139   2HB   ASN  18          1HB       ASN  18  15.037  -0.173  -5.144
  140   1HD2  ASN  18          1HD2      ASN  18  15.883   3.129  -6.061
  141   2HD2  ASN  18          2HD2      ASN  18  16.854   2.697  -7.422
  142    H    GLU  19           H        GLU  19  11.586   1.452  -5.176
  143    HA   GLU  19           HA       GLU  19  10.065   0.915  -6.805
  144   1HB   GLU  19          2HB       GLU  19   9.916   2.587  -8.557
  145   2HB   GLU  19          1HB       GLU  19  10.335   3.356  -7.032
  146   1HG   GLU  19          2HG       GLU  19  12.507   3.799  -7.704
  147   2HG   GLU  19          1HG       GLU  19  12.467   2.580  -8.978
  148    H    ARG  20           H        ARG  20  12.334  -0.795  -6.862
  149    HA   ARG  20           HA       ARG  20  12.456  -1.380  -9.747
  150   1HB   ARG  20          2HB       ARG  20  14.613  -1.418  -7.676
  151   2HB   ARG  20          1HB       ARG  20  14.702  -2.530  -9.034
  152   1HG   ARG  20          2HG       ARG  20  14.256  -0.316 -10.410
  153   2HG   ARG  20          1HG       ARG  20  14.967   0.423  -8.974
  154   1HD   ARG  20          2HD       ARG  20  16.699  -0.007 -10.594
  155   2HD   ARG  20          1HD       ARG  20  16.916  -1.075  -9.211
  156    HE   ARG  20           HE       ARG  20  16.047  -1.845 -11.896
  157   1HH1  ARG  20          1HH1      ARG  20  16.826  -2.790  -8.621
  158   2HH1  ARG  20          2HH1      ARG  20  16.984  -4.468  -9.015
  159   1HH2  ARG  20          1HH2      ARG  20  16.250  -4.053 -12.404
  160   2HH2  ARG  20          2HH2      ARG  20  16.659  -5.185 -11.158
  161    H    GLY  21           H        GLY  21  11.345  -2.462  -6.780
  162   1HA   GLY  21          2HA       GLY  21  10.100  -4.463  -6.561
  163   2HA   GLY  21          1HA       GLY  21  10.999  -5.147  -7.902
  164    H    VAL  22           H        VAL  22  11.167  -4.319  -4.480
  165    HA   VAL  22           HA       VAL  22  13.445  -6.162  -4.202
  166    HB   VAL  22           HB       VAL  22  12.718  -4.341  -1.970
  167   1HG1  VAL  22          1HG1      VAL  22  14.574  -5.469  -1.351
  168   2HG1  VAL  22          2HG1      VAL  22  15.384  -4.190  -2.254
  169   3HG1  VAL  22          3HG1      VAL  22  15.088  -5.754  -3.013
  170   1HG2  VAL  22          1HG2      VAL  22  13.854  -3.408  -4.582
  171   2HG2  VAL  22          2HG2      VAL  22  14.224  -2.583  -3.067
  172   3HG2  VAL  22          3HG2      VAL  22  12.554  -2.703  -3.622
  173    H    GLU  23           H        GLU  23  13.036  -8.052  -3.302
  174    HA   GLU  23           HA       GLU  23  11.778  -9.762  -2.413
  175   1HB   GLU  23          2HB       GLU  23  13.188  -9.099  -0.585
  176   2HB   GLU  23          1HB       GLU  23  12.089  -7.804  -0.137
  177   1HG   GLU  23          2HG       GLU  23  10.707  -9.181   0.980
  178   2HG   GLU  23          1HG       GLU  23  10.918 -10.500  -0.170
  179    H    GLY  24           H        GLY  24  10.188  -7.461  -0.282
  180   1HA   GLY  24          2HA       GLY  24   7.759  -7.315  -1.788
  181   2HA   GLY  24          1HA       GLY  24   7.658  -8.502  -0.489
  182    H    ASP  25           H        ASP  25   8.579  -5.108  -1.078
  183    HA   ASP  25           HA       ASP  25   7.734  -4.498   1.668
  184   1HB   ASP  25          2HB       ASP  25  10.041  -3.850   0.859
  185   2HB   ASP  25          1HB       ASP  25   9.257  -2.690  -0.207
  186    H    PHE  26           H        PHE  26   6.063  -3.202   2.106
  187    HA   PHE  26           HA       PHE  26   4.764  -1.735  -0.088
  188   1HB   PHE  26          2HB       PHE  26   3.679  -4.002   1.029
  189   2HB   PHE  26          1HB       PHE  26   2.927  -2.733   1.966
  190    HD1  PHE  26           1HD      PHE  26   1.562  -4.716   0.078
  191    HD2  PHE  26           2HD      PHE  26   2.986  -0.751  -0.482
  192    HE1  PHE  26           1HE      PHE  26  -0.097  -4.377  -1.704
  193    HE2  PHE  26           2HE      PHE  26   1.331  -0.407  -2.266
  194    HZ   PHE  26           HZ       PHE  26  -0.213  -2.219  -2.881
  195    H    LEU  27           H        LEU  27   4.042   0.241   0.443
  196    HA   LEU  27           HA       LEU  27   3.783   0.992   3.234
  197   1HB   LEU  27          2HB       LEU  27   5.253   3.013   2.902
  198   2HB   LEU  27          1HB       LEU  27   6.076   1.468   3.043
  199    HG   LEU  27           HG       LEU  27   5.465   2.504   0.314
  200   1HD1  LEU  27          1HD1      LEU  27   6.805   4.091   2.174
  201   2HD1  LEU  27          2HD1      LEU  27   6.808   4.271   0.421
  202   3HD1  LEU  27          3HD1      LEU  27   8.075   3.338   1.212
  203   1HD2  LEU  27          1HD2      LEU  27   7.382   1.263  -0.298
  204   2HD2  LEU  27          2HD2      LEU  27   6.475   0.243   0.817
  205   3HD2  LEU  27          3HD2      LEU  27   7.907   1.106   1.378
  206    H    ILE  28           H        ILE  28   2.011   2.123   3.438
  207    HA   ILE  28           HA       ILE  28   1.004   3.619   1.122
  208    HB   ILE  28           HB       ILE  28  -0.516   1.884   1.966
  209   1HG1  ILE  28          2HG1      ILE  28  -1.559   4.646   2.594
  210   2HG1  ILE  28          1HG1      ILE  28  -1.439   3.957   0.972
  211   1HG2  ILE  28          1HG2      ILE  28   0.177   3.032   4.510
  212   2HG2  ILE  28          2HG2      ILE  28  -0.498   1.454   4.112
  213   3HG2  ILE  28          3HG2      ILE  28  -1.563   2.848   4.297
  214   1HD1  ILE  28          1HD1      ILE  28  -3.647   3.583   1.536
  215   2HD1  ILE  28          2HD1      ILE  28  -3.262   3.201   3.214
  216   3HD1  ILE  28          3HD1      ILE  28  -2.880   2.046   1.937
  217    H    ARG  29           H        ARG  29   0.477   5.795   1.322
  218    HA   ARG  29           HA       ARG  29   1.237   7.034   3.885
  219   1HB   ARG  29          2HB       ARG  29   2.110   8.952   2.545
  220   2HB   ARG  29          1HB       ARG  29   3.001   7.452   2.359
  221   1HG   ARG  29          2HG       ARG  29   1.787   7.035   0.247
  222   2HG   ARG  29          1HG       ARG  29   1.043   8.626   0.413
  223   1HD   ARG  29          2HD       ARG  29   3.864   8.891   0.766
  224   2HD   ARG  29          1HD       ARG  29   3.573   7.967  -0.698
  225    HE   ARG  29           HE       ARG  29   2.652   9.835  -1.681
  226   1HH1  ARG  29          1HH1      ARG  29   3.144  10.426   1.726
  227   2HH1  ARG  29          2HH1      ARG  29   2.845  12.126   1.600
  228   1HH2  ARG  29          1HH2      ARG  29   2.255  12.071  -1.843
  229   2HH2  ARG  29          2HH2      ARG  29   2.341  13.059  -0.424
  230    H    ASP  30           H        ASP  30   0.359   9.089   4.365
  231    HA   ASP  30           HA       ASP  30  -2.398   9.356   3.422
  232   1HB   ASP  30          2HB       ASP  30  -1.131  10.999   5.607
  233   2HB   ASP  30          1HB       ASP  30  -2.832  10.607   5.377
  234    H    SER  31           H        SER  31  -2.911  10.811   1.912
  235    HA   SER  31           HA       SER  31  -0.949  12.841   1.188
  236   1HB   SER  31          2HB       SER  31  -2.674  11.240  -0.300
  237   2HB   SER  31          1HB       SER  31  -3.392  12.847  -0.394
  238    HG   SER  31           HG       SER  31  -0.826  12.003  -1.204
  239    H    GLU  32           H        GLU  32  -1.107  14.906   1.730
  240    HA   GLU  32           HA       GLU  32  -3.429  15.820   3.205
  241   1HB   GLU  32          2HB       GLU  32  -1.090  16.331   3.933
  242   2HB   GLU  32          1HB       GLU  32  -0.913  17.342   2.505
  243   1HG   GLU  32          2HG       GLU  32  -1.432  18.878   4.134
  244   2HG   GLU  32          1HG       GLU  32  -3.007  18.563   3.406
  245    H    SER  33           H        SER  33  -1.925  16.308   0.082
  246    HA   SER  33           HA       SER  33  -3.217  18.645  -0.727
  247   1HB   SER  33          2HB       SER  33  -3.033  17.235  -3.063
  248   2HB   SER  33          1HB       SER  33  -1.706  18.143  -2.339
  249    HG   SER  33           HG       SER  33  -0.830  16.309  -1.594
  250    H    SER  34           H        SER  34  -4.199  15.259  -1.240
  251    HA   SER  34           HA       SER  34  -6.815  16.115  -2.171
  252   1HB   SER  34          2HB       SER  34  -5.365  13.498  -2.036
  253   2HB   SER  34          1HB       SER  34  -7.124  13.500  -2.169
  254    HG   SER  34           HG       SER  34  -6.718  15.004  -4.008
  255    HA   PRO  35           HA       PRO  35  -9.014  15.688   1.594
  256   1HB   PRO  35          2HB       PRO  35 -11.217  14.210   0.879
  257   2HB   PRO  35          1HB       PRO  35 -11.031  15.937   0.562
  258   1HG   PRO  35          2HG       PRO  35 -10.610  13.617  -1.269
  259   2HG   PRO  35          1HG       PRO  35 -11.317  15.206  -1.611
  260   1HD   PRO  35          2HD       PRO  35  -8.789  14.555  -2.317
  261   2HD   PRO  35          1HD       PRO  35  -9.259  16.207  -1.869
  262    H    SER  36           H        SER  36  -9.977  12.577   0.214
  263    HA   SER  36           HA       SER  36  -8.686  11.281   2.521
  264   1HB   SER  36          2HB       SER  36 -11.069  11.056   2.728
  265   2HB   SER  36          1HB       SER  36 -11.220  10.541   1.047
  266    HG   SER  36           HG       SER  36  -9.719   9.112   2.977
  267    H    ASP  37           H        ASP  37  -7.128  11.745   0.355
  268    HA   ASP  37           HA       ASP  37  -7.123   9.253  -1.195
  269   1HB   ASP  37          2HB       ASP  37  -6.902  11.603  -2.244
  270   2HB   ASP  37          1HB       ASP  37  -5.239  11.551  -1.647
  271    H    PHE  38           H        PHE  38  -5.528   7.778  -1.121
  272    HA   PHE  38           HA       PHE  38  -3.205   8.285   0.591
  273   1HB   PHE  38          2HB       PHE  38  -5.259   6.146   0.897
  274   2HB   PHE  38          1HB       PHE  38  -3.572   5.719   1.212
  275    HD1  PHE  38           1HD      PHE  38  -2.786   5.982   3.353
  276    HD2  PHE  38           2HD      PHE  38  -6.028   8.403   2.039
  277    HE1  PHE  38           1HE      PHE  38  -2.958   6.965   5.602
  278    HE2  PHE  38           2HE      PHE  38  -6.208   9.391   4.285
  279    HZ   PHE  38           HZ       PHE  38  -4.671   8.673   6.070
  280    H    SER  39           H        SER  39  -1.355   6.964   0.088
  281    HA   SER  39           HA       SER  39  -1.528   5.623  -2.527
  282   1HB   SER  39          2HB       SER  39   0.946   7.159  -1.899
  283   2HB   SER  39          1HB       SER  39   0.185   6.833  -3.457
  284    HG   SER  39           HG       SER  39  -0.047   8.995  -1.905
  285    H    VAL  40           H        VAL  40  -0.587   3.666  -2.602
  286    HA   VAL  40           HA       VAL  40   1.550   3.101  -0.697
  287    HB   VAL  40           HB       VAL  40  -0.590   2.283   0.281
  288   1HG1  VAL  40          1HG1      VAL  40  -1.526   0.179  -0.617
  289   2HG1  VAL  40          2HG1      VAL  40  -0.547   0.418  -2.064
  290   3HG1  VAL  40          3HG1      VAL  40  -1.799   1.588  -1.641
  291   1HG2  VAL  40          1HG2      VAL  40   0.503  -0.248   0.253
  292   2HG2  VAL  40          2HG2      VAL  40   0.927   1.054   1.356
  293   3HG2  VAL  40          3HG2      VAL  40   1.870   0.805  -0.110
  294    H    SER  41           H        SER  41   3.203   2.038  -1.542
  295    HA   SER  41           HA       SER  41   2.826   0.820  -4.203
  296   1HB   SER  41          2HB       SER  41   4.364   2.974  -3.711
  297   2HB   SER  41          1HB       SER  41   5.541   1.699  -3.394
  298    HG   SER  41           HG       SER  41   4.739   0.845  -5.524
  299    H    LEU  42           H        LEU  42   3.577  -1.196  -4.585
  300    HA   LEU  42           HA       LEU  42   5.056  -2.537  -2.419
  301   1HB   LEU  42          2HB       LEU  42   2.655  -3.189  -2.508
  302   2HB   LEU  42          1HB       LEU  42   2.916  -3.801  -4.127
  303    HG   LEU  42           HG       LEU  42   4.604  -5.387  -3.139
  304   1HD1  LEU  42          1HD1      LEU  42   5.074  -5.429  -0.943
  305   2HD1  LEU  42          2HD1      LEU  42   3.403  -5.127  -0.480
  306   3HD1  LEU  42          3HD1      LEU  42   4.447  -3.782  -0.944
  307   1HD2  LEU  42          1HD2      LEU  42   1.690  -5.432  -2.469
  308   2HD2  LEU  42          2HD2      LEU  42   2.746  -6.750  -1.969
  309   3HD2  LEU  42          3HD2      LEU  42   2.572  -6.357  -3.680
  310    H    LYS  43           H        LYS  43   6.306  -4.391  -3.072
  311    HA   LYS  43           HA       LYS  43   7.078  -4.351  -5.913
  312   1HB   LYS  43          2HB       LYS  43   8.806  -4.417  -3.456
  313   2HB   LYS  43          1HB       LYS  43   9.394  -5.026  -4.988
  314   1HG   LYS  43          2HG       LYS  43   9.151  -2.299  -4.017
  315   2HG   LYS  43          1HG       LYS  43  10.179  -2.958  -5.275
  316   1HD   LYS  43          2HD       LYS  43   8.918  -1.965  -6.805
  317   2HD   LYS  43          1HD       LYS  43   7.524  -2.902  -6.284
  318   1HE   LYS  43          2HE       LYS  43   6.991  -1.235  -4.609
  319   2HE   LYS  43          1HE       LYS  43   8.437  -0.322  -5.030
  320   1HZ   LYS  43          1HZ       LYS  43   7.468  -0.116  -7.312
  321   2HZ   LYS  43          2HZ       LYS  43   6.629   0.716  -6.103
  322   3HZ   LYS  43          3HZ       LYS  43   6.023  -0.748  -6.695
  323    H    ALA  44           H        ALA  44   6.862  -6.241  -6.885
  324    HA   ALA  44           HA       ALA  44   6.635  -8.664  -5.235
  325   1HB   ALA  44          1HB       ALA  44   4.683  -8.096  -6.636
  326   2HB   ALA  44          2HB       ALA  44   5.399  -9.648  -7.069
  327   3HB   ALA  44          3HB       ALA  44   5.699  -8.228  -8.071
  328    H    SER  45           H        SER  45   7.155 -10.654  -6.943
  329    HA   SER  45           HA       SER  45   9.950 -10.754  -7.060
  330   1HB   SER  45          2HB       SER  45   8.070 -12.638  -7.175
  331   2HB   SER  45          1HB       SER  45   8.372 -12.485  -8.906
  332    HG   SER  45           HG       SER  45   9.738 -14.043  -7.988
  333    H    GLY  46           H        GLY  46  10.515  -8.780  -8.149
  334   1HA   GLY  46          2HA       GLY  46  11.560  -7.907 -10.031
  335   2HA   GLY  46          1HA       GLY  46  10.839  -9.180 -11.006
  336    H    LYS  47           H        LYS  47   8.279  -8.168  -9.445
  337    HA   LYS  47           HA       LYS  47   7.634  -6.107 -11.436
  338   1HB   LYS  47          2HB       LYS  47   6.347  -8.412 -11.174
  339   2HB   LYS  47          1HB       LYS  47   5.505  -7.531  -9.907
  340   1HG   LYS  47          2HG       LYS  47   4.332  -7.454 -12.063
  341   2HG   LYS  47          1HG       LYS  47   4.793  -5.853 -11.484
  342   1HD   LYS  47          2HD       LYS  47   6.911  -6.916 -13.083
  343   2HD   LYS  47          1HD       LYS  47   5.393  -7.054 -13.972
  344   1HE   LYS  47          2HE       LYS  47   5.186  -4.545 -12.952
  345   2HE   LYS  47          1HE       LYS  47   6.928  -4.670 -13.198
  346   1HZ   LYS  47          1HZ       LYS  47   5.231  -3.926 -15.099
  347   2HZ   LYS  47          2HZ       LYS  47   5.263  -5.591 -15.394
  348   3HZ   LYS  47          3HZ       LYS  47   6.701  -4.700 -15.424
  349    H    ASN  48           H        ASN  48   6.010  -4.480 -10.718
  350    HA   ASN  48           HA       ASN  48   6.007  -3.924  -7.856
  351   1HB   ASN  48          2HB       ASN  48   6.627  -1.499  -8.399
  352   2HB   ASN  48          1HB       ASN  48   7.933  -2.683  -8.427
  353   1HD2  ASN  48          1HD2      ASN  48   6.560  -0.162 -10.044
  354   2HD2  ASN  48          2HD2      ASN  48   7.206  -0.449 -11.621
  355    H    LYS  49           H        LYS  49   3.858  -3.924  -7.545
  356    HA   LYS  49           HA       LYS  49   2.093  -2.792  -9.525
  357   1HB   LYS  49          2HB       LYS  49   1.331  -3.939  -6.862
  358   2HB   LYS  49          1HB       LYS  49   0.300  -3.708  -8.268
  359   1HG   LYS  49          2HG       LYS  49   0.786  -5.748  -8.959
  360   2HG   LYS  49          1HG       LYS  49   2.489  -5.306  -9.076
  361   1HD   LYS  49          2HD       LYS  49   2.993  -6.546  -7.303
  362   2HD   LYS  49          1HD       LYS  49   1.760  -5.731  -6.341
  363   1HE   LYS  49          2HE       LYS  49   0.581  -7.617  -6.337
  364   2HE   LYS  49          1HE       LYS  49   0.381  -7.452  -8.083
  365   1HZ   LYS  49          1HZ       LYS  49   2.342  -8.745  -8.442
  366   2HZ   LYS  49          2HZ       LYS  49   1.340  -9.603  -7.383
  367   3HZ   LYS  49          3HZ       LYS  49   2.696  -8.787  -6.787
  368    H    HIS  50           H        HIS  50   1.173  -0.860  -9.486
  369    HA   HIS  50           HA       HIS  50   1.811   0.981  -7.341
  370   1HB   HIS  50          2HB       HIS  50   0.521   2.612  -8.819
  371   2HB   HIS  50          1HB       HIS  50   1.991   1.933  -9.508
  372    HD1  HIS  50           1HD      HIS  50  -1.766   1.549  -9.708
  373    HD2  HIS  50           2HD      HIS  50   1.648   0.589 -11.873
  374    HE1  HIS  50           1HE      HIS  50  -2.594   0.664 -11.912
  375    HE2  HIS  50           2HE      HIS  50  -0.511   0.039 -13.185
  376    H    PHE  51           H        PHE  51   0.188   2.171  -6.153
  377    HA   PHE  51           HA       PHE  51  -2.510   1.068  -6.237
  378   1HB   PHE  51          2HB       PHE  51  -0.681   0.050  -4.468
  379   2HB   PHE  51          1HB       PHE  51  -1.468   1.290  -3.510
  380    HD1  PHE  51           1HD      PHE  51  -1.746  -1.160  -2.366
  381    HD2  PHE  51           2HD      PHE  51  -3.943   0.317  -5.700
  382    HE1  PHE  51           1HE      PHE  51  -3.570  -2.724  -1.856
  383    HE2  PHE  51           2HE      PHE  51  -5.760  -1.249  -5.188
  384    HZ   PHE  51           HZ       PHE  51  -5.582  -2.761  -3.270
  385    H    LYS  52           H        LYS  52  -4.054   2.508  -5.815
  386    HA   LYS  52           HA       LYS  52  -3.369   4.994  -4.404
  387   1HB   LYS  52          2HB       LYS  52  -3.611   5.058  -7.060
  388   2HB   LYS  52          1HB       LYS  52  -5.320   5.128  -6.650
  389   1HG   LYS  52          2HG       LYS  52  -4.982   7.129  -5.358
  390   2HG   LYS  52          1HG       LYS  52  -3.237   7.032  -5.606
  391   1HD   LYS  52          2HD       LYS  52  -5.305   7.404  -7.772
  392   2HD   LYS  52          1HD       LYS  52  -4.282   8.675  -7.099
  393   1HE   LYS  52          2HE       LYS  52  -2.293   7.383  -7.845
  394   2HE   LYS  52          1HE       LYS  52  -3.380   6.240  -8.633
  395   1HZ   LYS  52          1HZ       LYS  52  -2.994   7.609 -10.371
  396   2HZ   LYS  52          2HZ       LYS  52  -2.666   8.958  -9.405
  397   3HZ   LYS  52          3HZ       LYS  52  -4.266   8.489  -9.685
  398    H    VAL  53           H        VAL  53  -4.825   5.530  -2.855
  399    HA   VAL  53           HA       VAL  53  -7.383   4.069  -2.867
  400    HB   VAL  53           HB       VAL  53  -5.779   4.918  -0.457
  401   1HG1  VAL  53          1HG1      VAL  53  -8.493   3.817  -0.793
  402   2HG1  VAL  53          2HG1      VAL  53  -7.821   4.808   0.501
  403   3HG1  VAL  53          3HG1      VAL  53  -7.507   3.074   0.466
  404   1HG2  VAL  53          1HG2      VAL  53  -5.947   2.382  -2.000
  405   2HG2  VAL  53          2HG2      VAL  53  -5.733   2.303  -0.251
  406   3HG2  VAL  53          3HG2      VAL  53  -4.553   3.155  -1.247
  407    H    GLN  54           H        GLN  54  -8.935   5.445  -3.426
  408    HA   GLN  54           HA       GLN  54  -9.061   8.052  -2.057
  409   1HB   GLN  54          2HB       GLN  54  -8.706   7.709  -4.777
  410   2HB   GLN  54          1HB       GLN  54 -10.443   7.947  -4.637
  411   1HG   GLN  54          2HG       GLN  54  -8.306   9.801  -3.607
  412   2HG   GLN  54          1HG       GLN  54  -9.305  10.048  -5.038
  413   1HE2  GLN  54          1HE2      GLN  54 -11.185  11.068  -4.815
  414   2HE2  GLN  54          2HE2      GLN  54 -11.931  11.471  -3.310
  415    H    LEU  55           H        LEU  55 -11.091   8.751  -1.384
  416    HA   LEU  55           HA       LEU  55 -13.026   6.613  -1.068
  417   1HB   LEU  55          2HB       LEU  55 -12.258   8.943   0.403
  418   2HB   LEU  55          1HB       LEU  55 -13.985   9.014   0.073
  419    HG   LEU  55           HG       LEU  55 -12.936   6.437   1.090
  420   1HD1  LEU  55          1HD1      LEU  55 -13.418   7.697   3.431
  421   2HD1  LEU  55          2HD1      LEU  55 -12.634   8.984   2.514
  422   3HD1  LEU  55          3HD1      LEU  55 -11.812   7.441   2.749
  423   1HD2  LEU  55          1HD2      LEU  55 -15.182   6.260   0.968
  424   2HD2  LEU  55          2HD2      LEU  55 -15.436   8.000   1.098
  425   3HD2  LEU  55          3HD2      LEU  55 -15.116   7.045   2.546
  426    H    VAL  56           H        VAL  56 -14.484   6.298  -2.568
  427    HA   VAL  56           HA       VAL  56 -15.566   8.593  -4.052
  428    HB   VAL  56           HB       VAL  56 -14.473   6.249  -5.038
  429   1HG1  VAL  56          1HG1      VAL  56 -16.268   5.006  -6.032
  430   2HG1  VAL  56          2HG1      VAL  56 -17.463   6.125  -5.375
  431   3HG1  VAL  56          3HG1      VAL  56 -16.533   5.092  -4.295
  432   1HG2  VAL  56          1HG2      VAL  56 -14.443   7.965  -6.532
  433   2HG2  VAL  56          2HG2      VAL  56 -16.070   8.501  -6.116
  434   3HG2  VAL  56          3HG2      VAL  56 -15.845   7.100  -7.162
  435    H    ASP  57           H        ASP  57 -17.731   8.908  -4.175
  436    HA   ASP  57           HA       ASP  57 -19.806   9.014  -3.143
  437   1HB   ASP  57          2HB       ASP  57 -19.635   7.242  -5.172
  438   2HB   ASP  57          1HB       ASP  57 -20.242   6.187  -3.895
  439    H    ASN  58           H        ASN  58 -18.073   8.522  -1.072
  440    HA   ASN  58           HA       ASN  58 -18.155   7.933   1.124
  441   1HB   ASN  58          2HB       ASN  58 -20.658   8.244   0.771
  442   2HB   ASN  58          1HB       ASN  58 -20.750   6.494   0.595
  443   1HD2  ASN  58          1HD2      ASN  58 -18.990   8.678   2.773
  444   2HD2  ASN  58          2HD2      ASN  58 -19.540   7.937   4.234
  445    H    VAL  59           H        VAL  59 -16.931   6.207  -0.905
  446    HA   VAL  59           HA       VAL  59 -16.633   3.879   0.777
  447    HB   VAL  59           HB       VAL  59 -16.751   2.276  -1.107
  448   1HG1  VAL  59          1HG1      VAL  59 -19.260   2.268  -1.217
  449   2HG1  VAL  59          2HG1      VAL  59 -19.225   3.782  -0.313
  450   3HG1  VAL  59          3HG1      VAL  59 -18.565   2.312   0.403
  451   1HG2  VAL  59          1HG2      VAL  59 -17.633   2.814  -3.189
  452   2HG2  VAL  59          2HG2      VAL  59 -16.557   4.164  -2.831
  453   3HG2  VAL  59          3HG2      VAL  59 -18.299   4.345  -2.619
  454    H    TYR  60           H        TYR  60 -14.615   3.180   0.892
  455    HA   TYR  60           HA       TYR  60 -12.557   4.684  -0.375
  456   1HB   TYR  60          2HB       TYR  60 -12.123   2.078   1.059
  457   2HB   TYR  60          1HB       TYR  60 -11.061   3.485   0.985
  458    HD1  TYR  60           1HD      TYR  60 -11.575   5.493   2.348
  459    HD2  TYR  60           2HD      TYR  60 -13.870   1.929   2.690
  460    HE1  TYR  60           1HE      TYR  60 -12.493   6.294   4.483
  461    HE2  TYR  60           2HE      TYR  60 -14.793   2.719   4.827
  462    HH   TYR  60           HH       TYR  60 -15.139   4.755   6.043
  463    H    CYS  61           H        CYS  61 -11.484   4.290  -2.205
  464    HA   CYS  61           HA       CYS  61 -12.042   1.760  -3.588
  465   1HB   CYS  61          2HB       CYS  61 -12.850   3.727  -4.778
  466   2HB   CYS  61          1HB       CYS  61 -11.248   4.452  -4.711
  467    HG   CYS  61           HG       CYS  61 -10.469   2.972  -6.570
  468    H    ILE  62           H        ILE  62 -10.451   0.352  -3.764
  469    HA   ILE  62           HA       ILE  62  -7.668   1.326  -3.791
  470    HB   ILE  62           HB       ILE  62  -8.081  -1.416  -2.774
  471   1HG1  ILE  62          2HG1      ILE  62  -9.955  -0.237  -1.679
  472   2HG1  ILE  62          1HG1      ILE  62  -8.713  -0.727  -0.521
  473   1HG2  ILE  62          1HG2      ILE  62  -6.509   0.598  -1.286
  474   2HG2  ILE  62          2HG2      ILE  62  -5.958   0.214  -2.915
  475   3HG2  ILE  62          3HG2      ILE  62  -6.113  -1.066  -1.711
  476   1HD1  ILE  62          1HD1      ILE  62  -8.171   1.916  -1.482
  477   2HD1  ILE  62          2HD1      ILE  62  -8.476   1.358   0.163
  478   3HD1  ILE  62          3HD1      ILE  62  -9.825   1.811  -0.879
  479    H    GLY  63           H        GLY  63  -6.928   1.019  -5.793
  480   1HA   GLY  63          2HA       GLY  63  -6.442   0.037  -7.807
  481   2HA   GLY  63          1HA       GLY  63  -6.500  -1.482  -6.924
  482    H    GLN  64           H        GLN  64  -8.504   0.877  -8.639
  483    HA   GLN  64           HA       GLN  64 -10.535   0.684  -9.680
  484   1HB   GLN  64          2HB       GLN  64  -9.414  -1.973 -10.562
  485   2HB   GLN  64          1HB       GLN  64 -10.551  -0.950 -11.430
  486   1HG   GLN  64          2HG       GLN  64  -8.937   0.395 -12.233
  487   2HG   GLN  64          1HG       GLN  64  -7.966   0.289 -10.766
  488   1HE2  GLN  64          1HE2      GLN  64  -7.092  -2.028 -10.408
  489   2HE2  GLN  64          2HE2      GLN  64  -6.350  -2.752 -11.790
  490    H    ARG  65           H        ARG  65 -10.798  -0.114  -7.023
  491    HA   ARG  65           HA       ARG  65 -13.107  -1.839  -7.249
  492   1HB   ARG  65          2HB       ARG  65 -10.566  -2.729  -6.002
  493   2HB   ARG  65          1HB       ARG  65 -12.042  -3.094  -5.119
  494   1HG   ARG  65          2HG       ARG  65 -11.587  -3.830  -8.000
  495   2HG   ARG  65          1HG       ARG  65 -11.261  -4.904  -6.639
  496   1HD   ARG  65          2HD       ARG  65 -13.382  -5.571  -7.158
  497   2HD   ARG  65          1HD       ARG  65 -13.746  -4.288  -6.005
  498    HE   ARG  65           HE       ARG  65 -14.770  -3.156  -7.693
  499   1HH1  ARG  65          1HH1      ARG  65 -12.521  -5.416  -9.113
  500   2HH1  ARG  65          2HH1      ARG  65 -13.002  -5.066 -10.739
  501   1HH2  ARG  65          1HH2      ARG  65 -15.404  -2.694  -9.831
  502   2HH2  ARG  65          2HH2      ARG  65 -14.638  -3.520 -11.147
  503    H    ARG  66           H        ARG  66 -14.410  -1.842  -5.269
  504    HA   ARG  66           HA       ARG  66 -13.827   0.498  -3.591
  505   1HB   ARG  66          2HB       ARG  66 -16.569  -0.586  -4.196
  506   2HB   ARG  66          1HB       ARG  66 -16.145   0.952  -3.469
  507   1HG   ARG  66          2HG       ARG  66 -15.768   0.112  -6.326
  508   2HG   ARG  66          1HG       ARG  66 -16.821   1.381  -5.702
  509   1HD   ARG  66          2HD       ARG  66 -15.049   2.822  -5.284
  510   2HD   ARG  66          1HD       ARG  66 -13.861   1.517  -5.243
  511    HE   ARG  66           HE       ARG  66 -13.584   1.788  -7.486
  512   1HH1  ARG  66          1HH1      ARG  66 -16.685   3.129  -6.614
  513   2HH1  ARG  66          2HH1      ARG  66 -17.006   3.742  -8.201
  514   1HH2  ARG  66          1HH2      ARG  66 -14.002   2.596  -9.572
  515   2HH2  ARG  66          2HH2      ARG  66 -15.483   3.440  -9.881
  516    H    PHE  67           H        PHE  67 -13.653   0.206  -1.514
  517    HA   PHE  67           HA       PHE  67 -14.812  -2.165  -0.235
  518   1HB   PHE  67          2HB       PHE  67 -11.970  -1.208   0.145
  519   2HB   PHE  67          1HB       PHE  67 -12.732  -2.570   0.966
  520    HD1  PHE  67           1HD      PHE  67 -14.148  -3.916  -1.191
  521    HD2  PHE  67           2HD      PHE  67 -10.300  -2.103  -1.179
  522    HE1  PHE  67           1HE      PHE  67 -13.445  -5.405  -3.019
  523    HE2  PHE  67           2HE      PHE  67  -9.590  -3.586  -3.008
  524    HZ   PHE  67           HZ       PHE  67 -11.164  -5.240  -3.931
  525    H    HIS  68           H        HIS  68 -14.956  -1.967   2.120
  526    HA   HIS  68           HA       HIS  68 -15.525   0.790   2.892
  527   1HB   HIS  68          2HB       HIS  68 -16.622  -0.271   4.869
  528   2HB   HIS  68          1HB       HIS  68 -17.285  -0.787   3.323
  529    HD1  HIS  68           1HD      HIS  68 -17.648  -3.221   3.163
  530    HD2  HIS  68           2HD      HIS  68 -14.574  -2.293   5.799
  531    HE1  HIS  68           1HE      HIS  68 -16.887  -5.422   4.109
  532    HE2  HIS  68           2HE      HIS  68 -14.946  -4.845   5.608
  533    H    THR  69           H        THR  69 -12.831   0.138   2.622
  534    HA   THR  69           HA       THR  69 -11.887   0.727   5.300
  535    HB   THR  69           HB       THR  69 -11.881  -1.777   5.034
  536    HG1  THR  69           1HG      THR  69 -10.169  -1.823   6.262
  537   1HG2  THR  69          1HG2      THR  69  -9.517  -1.402   3.237
  538   2HG2  THR  69          2HG2      THR  69 -11.138  -1.684   2.602
  539   3HG2  THR  69          3HG2      THR  69 -10.378  -2.884   3.645
  540    H    MET  70           H        MET  70  -9.649   1.493   5.319
  541    HA   MET  70           HA       MET  70  -8.037   1.852   3.093
  542   1HB   MET  70          2HB       MET  70  -9.263   3.335   1.905
  543   2HB   MET  70          1HB       MET  70 -10.272   3.740   3.280
  544   1HG   MET  70          2HG       MET  70  -7.499   4.797   3.246
  545   2HG   MET  70          1HG       MET  70  -8.672   5.498   2.133
  546   1HE   MET  70          1HE       MET  70  -8.727   8.304   4.524
  547   2HE   MET  70          2HE       MET  70  -7.744   7.494   3.304
  548   3HE   MET  70          3HE       MET  70  -7.349   7.319   5.014
  549    H    ASP  71           H        ASP  71  -6.125   2.188   3.955
  550    HA   ASP  71           HA       ASP  71  -4.439   3.117   5.202
  551   1HB   ASP  71          2HB       ASP  71  -5.943   5.173   5.281
  552   2HB   ASP  71          1HB       ASP  71  -6.477   4.592   6.857
  553    H    GLU  72           H        GLU  72  -7.317   1.837   6.678
  554    HA   GLU  72           HA       GLU  72  -5.804   0.913   9.004
  555   1HB   GLU  72          2HB       GLU  72  -8.522   1.666   8.567
  556   2HB   GLU  72          1HB       GLU  72  -8.500  -0.030   9.031
  557   1HG   GLU  72          2HG       GLU  72  -8.754   1.309  10.993
  558   2HG   GLU  72          1HG       GLU  72  -7.152   0.573  11.013
  559    H    LEU  73           H        LEU  73  -6.951  -0.078   5.960
  560    HA   LEU  73           HA       LEU  73  -7.065  -2.879   6.519
  561   1HB   LEU  73          2HB       LEU  73  -7.201  -3.128   4.043
  562   2HB   LEU  73          1HB       LEU  73  -8.443  -2.112   4.741
  563    HG   LEU  73           HG       LEU  73  -7.862  -0.344   3.473
  564   1HD1  LEU  73          1HD1      LEU  73  -5.832   0.124   4.788
  565   2HD1  LEU  73          2HD1      LEU  73  -5.625   0.470   3.077
  566   3HD1  LEU  73          3HD1      LEU  73  -4.942  -0.999   3.764
  567   1HD2  LEU  73          1HD2      LEU  73  -7.586  -2.511   2.011
  568   2HD2  LEU  73          2HD2      LEU  73  -5.915  -1.953   1.919
  569   3HD2  LEU  73          3HD2      LEU  73  -7.225  -0.910   1.364
  570    H    VAL  74           H        VAL  74  -4.552  -0.717   6.038
  571    HA   VAL  74           HA       VAL  74  -2.783  -2.612   4.792
  572    HB   VAL  74           HB       VAL  74  -1.809  -0.150   6.147
  573   1HG1  VAL  74          1HG1      VAL  74  -0.525  -2.007   4.772
  574   2HG1  VAL  74          2HG1      VAL  74  -0.065  -0.310   4.663
  575   3HG1  VAL  74          3HG1      VAL  74  -1.065  -1.036   3.404
  576   1HG2  VAL  74          1HG2      VAL  74  -3.807   0.623   4.999
  577   2HG2  VAL  74          2HG2      VAL  74  -3.299  -0.192   3.521
  578   3HG2  VAL  74          3HG2      VAL  74  -2.380   1.170   4.134
  579    H    GLU  75           H        GLU  75  -3.989  -2.105   7.840
  580    HA   GLU  75           HA       GLU  75  -1.588  -2.937   9.276
  581   1HB   GLU  75          2HB       GLU  75  -3.584  -1.267   9.998
  582   2HB   GLU  75          1HB       GLU  75  -4.183  -2.767  10.694
  583   1HG   GLU  75          2HG       GLU  75  -2.687  -2.731  12.341
  584   2HG   GLU  75          1HG       GLU  75  -1.367  -2.297  11.255
  585    H    HIS  76           H        HIS  76  -4.646  -4.197   8.180
  586    HA   HIS  76           HA       HIS  76  -3.817  -6.865   9.089
  587   1HB   HIS  76          2HB       HIS  76  -6.678  -5.894   9.102
  588   2HB   HIS  76          1HB       HIS  76  -6.071  -7.430   9.711
  589    HD1  HIS  76           1HD      HIS  76  -3.685  -6.330  11.375
  590    HD2  HIS  76           2HD      HIS  76  -7.544  -4.790  11.446
  591    HE1  HIS  76           1HE      HIS  76  -3.896  -5.148  13.584
  592    HE2  HIS  76           2HE      HIS  76  -6.271  -4.308  13.646
  593    H    TYR  77           H        TYR  77  -3.966  -5.162   6.473
  594    HA   TYR  77           HA       TYR  77  -4.504  -5.442   4.283
  595   1HB   TYR  77          2HB       TYR  77  -4.340  -8.286   4.128
  596   2HB   TYR  77          1HB       TYR  77  -3.159  -7.079   3.625
  597    HD1  TYR  77           1HD      TYR  77  -1.471  -6.265   5.306
  598    HD2  TYR  77           2HD      TYR  77  -3.957  -9.643   6.025
  599    HE1  TYR  77           1HE      TYR  77   0.063  -7.009   7.077
  600    HE2  TYR  77           2HE      TYR  77  -2.429 -10.395   7.800
  601    HH   TYR  77           HH       TYR  77   0.674  -9.020   8.260
  602    H    LYS  78           H        LYS  78  -6.785  -4.907   5.257
  603    HA   LYS  78           HA       LYS  78  -8.776  -6.892   5.328
  604   1HB   LYS  78          2HB       LYS  78  -9.111  -3.960   4.676
  605   2HB   LYS  78          1HB       LYS  78 -10.365  -5.050   5.250
  606   1HG   LYS  78          2HG       LYS  78  -7.924  -4.706   6.912
  607   2HG   LYS  78          1HG       LYS  78  -9.118  -3.404   6.877
  608   1HD   LYS  78          2HD       LYS  78 -10.865  -5.061   7.481
  609   2HD   LYS  78          1HD       LYS  78  -9.602  -6.284   7.637
  610   1HE   LYS  78          2HE       LYS  78  -8.590  -4.330   9.202
  611   2HE   LYS  78          1HE       LYS  78 -10.321  -4.053   9.424
  612   1HZ   LYS  78          1HZ       LYS  78  -9.953  -5.591  11.037
  613   2HZ   LYS  78          2HZ       LYS  78  -8.688  -6.350  10.211
  614   3HZ   LYS  78          3HZ       LYS  78 -10.291  -6.646   9.758
  615    H    LYS  79           H        LYS  79 -10.142  -4.732   3.183
  616    HA   LYS  79           HA       LYS  79 -10.315  -6.707   1.133
  617   1HB   LYS  79          2HB       LYS  79 -11.109  -3.799   1.027
  618   2HB   LYS  79          1HB       LYS  79 -11.620  -5.062  -0.085
  619   1HG   LYS  79          2HG       LYS  79 -12.275  -4.928   2.849
  620   2HG   LYS  79          1HG       LYS  79 -13.355  -4.536   1.516
  621   1HD   LYS  79          2HD       LYS  79 -12.063  -7.222   1.747
  622   2HD   LYS  79          1HD       LYS  79 -13.576  -6.852   2.571
  623   1HE   LYS  79          2HE       LYS  79 -14.436  -6.107   0.292
  624   2HE   LYS  79          1HE       LYS  79 -13.011  -6.898  -0.381
  625   1HZ   LYS  79          1HZ       LYS  79 -14.862  -8.402  -0.422
  626   2HZ   LYS  79          2HZ       LYS  79 -15.148  -8.185   1.230
  627   3HZ   LYS  79          3HZ       LYS  79 -13.738  -8.962   0.712
  628    H    ALA  80           H        ALA  80  -7.824  -6.692   1.151
  629    HA   ALA  80           HA       ALA  80  -6.765  -4.752  -0.777
  630   1HB   ALA  80          1HB       ALA  80  -4.671  -5.032   0.137
  631   2HB   ALA  80          2HB       ALA  80  -5.043  -6.641   0.756
  632   3HB   ALA  80          3HB       ALA  80  -5.704  -5.215   1.555
  633    HA   PRO  81           HA       PRO  81  -6.358  -8.010  -3.809
  634   1HB   PRO  81          2HB       PRO  81  -4.390  -7.101  -5.340
  635   2HB   PRO  81          1HB       PRO  81  -5.888  -6.159  -5.215
  636   1HG   PRO  81          2HG       PRO  81  -3.328  -5.829  -3.655
  637   2HG   PRO  81          1HG       PRO  81  -4.205  -4.596  -4.606
  638   1HD   PRO  81          2HD       PRO  81  -4.566  -4.803  -1.945
  639   2HD   PRO  81          1HD       PRO  81  -5.922  -4.418  -3.026
  640    H    ILE  82           H        ILE  82  -4.555  -7.655  -1.214
  641    HA   ILE  82           HA       ILE  82  -2.074  -8.733  -1.692
  642    HB   ILE  82           HB       ILE  82  -3.816  -8.565   0.727
  643   1HG1  ILE  82          2HG1      ILE  82  -1.080  -7.487   0.636
  644   2HG1  ILE  82          1HG1      ILE  82  -2.179  -6.800  -0.549
  645   1HG2  ILE  82          1HG2      ILE  82  -1.232  -9.259   1.558
  646   2HG2  ILE  82          2HG2      ILE  82  -1.697 -10.463   0.361
  647   3HG2  ILE  82          3HG2      ILE  82  -2.713 -10.183   1.772
  648   1HD1  ILE  82          1HD1      ILE  82  -2.970  -5.486   1.004
  649   2HD1  ILE  82          2HD1      ILE  82  -1.936  -6.246   2.213
  650   3HD1  ILE  82          3HD1      ILE  82  -3.546  -6.892   1.893
  651    H    PHE  83           H        PHE  83  -1.513 -10.630  -2.336
  652    HA   PHE  83           HA       PHE  83  -3.057 -13.018  -1.639
  653   1HB   PHE  83          2HB       PHE  83  -3.577 -11.893  -3.975
  654   2HB   PHE  83          1HB       PHE  83  -2.099 -12.732  -4.454
  655    HD1  PHE  83           1HD      PHE  83  -2.170 -14.971  -5.058
  656    HD2  PHE  83           2HD      PHE  83  -5.422 -13.296  -2.884
  657    HE1  PHE  83           1HE      PHE  83  -3.450 -17.048  -5.381
  658    HE2  PHE  83           2HE      PHE  83  -6.708 -15.370  -3.202
  659    HZ   PHE  83           HZ       PHE  83  -5.722 -17.249  -4.452
  660    H    THR  84           H        THR  84  -1.876 -14.993  -1.740
  661    HA   THR  84           HA       THR  84   1.007 -14.708  -2.237
  662    HB   THR  84           HB       THR  84  -0.201 -16.163   0.120
  663    HG1  THR  84           1HG      THR  84  -0.137 -13.911   0.403
  664   1HG2  THR  84          1HG2      THR  84   2.713 -15.720  -0.479
  665   2HG2  THR  84          2HG2      THR  84   1.861 -17.224  -0.816
  666   3HG2  THR  84          3HG2      THR  84   2.016 -16.650   0.843
  667    H    SER  85           H        SER  85   2.095 -16.530  -2.897
  668    HA   SER  85           HA       SER  85   0.391 -18.736  -3.842
  669   1HB   SER  85          2HB       SER  85   1.306 -17.752  -5.781
  670   2HB   SER  85          1HB       SER  85   2.862 -17.459  -5.005
  671    HG   SER  85           HG       SER  85   2.599 -19.324  -6.555
  672    H    GLU  86           H        GLU  86   0.882 -20.766  -3.174
  673    HA   GLU  86           HA       GLU  86   2.287 -21.304  -0.900
  674   1HB   GLU  86          2HB       GLU  86   2.054 -23.228  -3.219
  675   2HB   GLU  86          1HB       GLU  86   2.259 -23.643  -1.523
  676   1HG   GLU  86          2HG       GLU  86  -0.152 -22.415  -2.832
  677   2HG   GLU  86          1HG       GLU  86  -0.014 -24.015  -2.105
  678    H    HIS  87           H        HIS  87   4.322 -20.661  -0.523
  679    HA   HIS  87           HA       HIS  87   6.578 -20.422  -0.715
  680   1HB   HIS  87          2HB       HIS  87   6.065 -23.016  -2.125
  681   2HB   HIS  87          1HB       HIS  87   7.683 -22.321  -2.159
  682    HD1  HIS  87           1HD      HIS  87   5.570 -24.464  -0.180
  683    HD2  HIS  87           2HD      HIS  87   8.693 -21.834   0.595
  684    HE1  HIS  87           1HE      HIS  87   6.417 -25.081   2.106
  685    HE2  HIS  87           2HE      HIS  87   8.253 -23.424   2.587
  686    H    GLY  88           H        GLY  88   4.682 -19.270  -2.714
  687   1HA   GLY  88          2HA       GLY  88   6.499 -18.929  -4.991
  688   2HA   GLY  88          1HA       GLY  88   4.762 -18.683  -5.055
  689    H    GLU  89           H        GLU  89   5.076 -17.339  -2.342
  690    HA   GLU  89           HA       GLU  89   6.213 -15.333  -1.595
  691   1HB   GLU  89          2HB       GLU  89   5.874 -14.581  -4.474
  692   2HB   GLU  89          1HB       GLU  89   6.032 -13.346  -3.229
  693   1HG   GLU  89          2HG       GLU  89   8.199 -13.716  -2.963
  694   2HG   GLU  89          1HG       GLU  89   7.952 -15.466  -2.931
  695    H    LYS  90           H        LYS  90   5.214 -13.487  -0.820
  696    HA   LYS  90           HA       LYS  90   2.276 -13.651  -0.976
  697   1HB   LYS  90          2HB       LYS  90   3.768 -12.425   1.324
  698   2HB   LYS  90          1HB       LYS  90   2.134 -13.076   1.292
  699   1HG   LYS  90          2HG       LYS  90   2.826 -15.124   1.829
  700   2HG   LYS  90          1HG       LYS  90   4.162 -15.075   0.679
  701   1HD   LYS  90          2HD       LYS  90   5.588 -14.011   2.214
  702   2HD   LYS  90          1HD       LYS  90   4.250 -13.567   3.275
  703   1HE   LYS  90          2HE       LYS  90   4.853 -16.446   2.733
  704   2HE   LYS  90          1HE       LYS  90   5.802 -15.551   3.919
  705   1HZ   LYS  90          1HZ       LYS  90   3.487 -14.901   4.832
  706   2HZ   LYS  90          2HZ       LYS  90   4.121 -16.427   5.194
  707   3HZ   LYS  90          3HZ       LYS  90   2.949 -16.264   3.986
  708    H    LEU  91           H        LEU  91   1.060 -11.868  -1.269
  709    HA   LEU  91           HA       LEU  91   2.458  -9.351  -1.880
  710   1HB   LEU  91          2HB       LEU  91   0.479 -10.752  -3.287
  711   2HB   LEU  91          1HB       LEU  91  -0.368  -9.422  -2.557
  712    HG   LEU  91           HG       LEU  91   0.715  -9.290  -4.972
  713   1HD1  LEU  91          1HD1      LEU  91   0.447  -7.176  -2.865
  714   2HD1  LEU  91          2HD1      LEU  91  -0.678  -7.597  -4.156
  715   3HD1  LEU  91          3HD1      LEU  91   0.845  -6.795  -4.540
  716   1HD2  LEU  91          1HD2      LEU  91   2.988  -9.708  -4.151
  717   2HD2  LEU  91          2HD2      LEU  91   2.885  -8.257  -3.161
  718   3HD2  LEU  91          3HD2      LEU  91   2.835  -8.127  -4.916
  719    H    TYR  92           H        TYR  92   2.587  -8.638   0.249
  720    HA   TYR  92           HA       TYR  92  -0.001  -7.973   1.485
  721   1HB   TYR  92          2HB       TYR  92   2.436  -9.180   2.691
  722   2HB   TYR  92          1HB       TYR  92   1.396  -8.167   3.688
  723    HD1  TYR  92           1HD      TYR  92   1.669 -11.326   1.855
  724    HD2  TYR  92           2HD      TYR  92  -0.823  -8.920   4.320
  725    HE1  TYR  92           1HE      TYR  92   0.203 -13.261   2.250
  726    HE2  TYR  92           2HE      TYR  92  -2.297 -10.847   4.722
  727    HH   TYR  92           HH       TYR  92  -2.545 -13.369   2.981
  728    H    LEU  93           H        LEU  93  -0.091  -6.118   2.818
  729    HA   LEU  93           HA       LEU  93   1.697  -4.034   1.917
  730   1HB   LEU  93          2HB       LEU  93  -0.611  -3.722   3.822
  731   2HB   LEU  93          1HB       LEU  93   0.197  -2.466   2.898
  732    HG   LEU  93           HG       LEU  93  -1.055  -4.587   1.276
  733   1HD1  LEU  93          1HD1      LEU  93  -2.708  -2.634   2.859
  734   2HD1  LEU  93          2HD1      LEU  93  -2.712  -4.389   3.039
  735   3HD1  LEU  93          3HD1      LEU  93  -3.296  -3.652   1.546
  736   1HD2  LEU  93          1HD2      LEU  93  -1.385  -2.895  -0.221
  737   2HD2  LEU  93          2HD2      LEU  93   0.020  -2.273   0.645
  738   3HD2  LEU  93          3HD2      LEU  93  -1.591  -1.676   1.033
  739    H    VAL  94           H        VAL  94   3.298  -5.545   3.203
  740    HA   VAL  94           HA       VAL  94   3.497  -5.645   5.918
  741    HB   VAL  94           HB       VAL  94   5.116  -6.812   4.697
  742   1HG1  VAL  94          1HG1      VAL  94   6.800  -4.879   3.523
  743   2HG1  VAL  94          2HG1      VAL  94   5.140  -4.542   3.031
  744   3HG1  VAL  94          3HG1      VAL  94   5.839  -6.134   2.742
  745   1HG2  VAL  94          1HG2      VAL  94   7.098  -4.843   5.518
  746   2HG2  VAL  94          2HG2      VAL  94   6.853  -6.502   6.063
  747   3HG2  VAL  94          3HG2      VAL  94   5.894  -5.195   6.758
  748    H    ARG  95           H        ARG  95   5.926  -3.498   4.650
  749    HA   ARG  95           HA       ARG  95   4.864  -1.042   5.414
  750   1HB   ARG  95          2HB       ARG  95   6.199  -2.545   7.610
  751   2HB   ARG  95          1HB       ARG  95   6.582  -0.826   7.444
  752   1HG   ARG  95          2HG       ARG  95   4.051  -2.147   8.280
  753   2HG   ARG  95          1HG       ARG  95   4.863  -0.719   8.923
  754   1HD   ARG  95          2HD       ARG  95   4.186   0.503   6.850
  755   2HD   ARG  95          1HD       ARG  95   3.223  -0.908   6.400
  756    HE   ARG  95           HE       ARG  95   2.450  -0.198   8.963
  757   1HH1  ARG  95          1HH1      ARG  95   2.428   1.236   5.782
  758   2HH1  ARG  95          2HH1      ARG  95   1.012   2.185   6.084
  759   1HH2  ARG  95          1HH2      ARG  95   0.585   1.048   9.360
  760   2HH2  ARG  95          2HH2      ARG  95  -0.035   2.079   8.114
  761    H    ALA  96           H        ALA  96   6.646   0.559   5.976
  762    HA   ALA  96           HA       ALA  96   8.534   0.506   3.831
  763   1HB   ALA  96          1HB       ALA  96   7.526   2.575   4.357
  764   2HB   ALA  96          2HB       ALA  96   9.199   2.708   4.903
  765   3HB   ALA  96          3HB       ALA  96   7.911   2.409   6.070
  766    H    LEU  97           H        LEU  97   9.803  -1.365   4.451
  767    HA   LEU  97           HA       LEU  97  11.448  -1.077   6.849
  768   1HB   LEU  97          2HB       LEU  97  11.572  -3.391   4.946
  769   2HB   LEU  97          1HB       LEU  97  11.968  -3.352   6.654
  770    HG   LEU  97           HG       LEU  97   9.147  -2.936   5.711
  771   1HD1  LEU  97          1HD1      LEU  97  10.682  -5.481   5.942
  772   2HD1  LEU  97          2HD1      LEU  97   9.457  -5.005   4.765
  773   3HD1  LEU  97          3HD1      LEU  97   8.980  -5.451   6.404
  774   1HD2  LEU  97          1HD2      LEU  97   9.577  -2.332   7.996
  775   2HD2  LEU  97          2HD2      LEU  97  10.395  -3.866   8.292
  776   3HD2  LEU  97          3HD2      LEU  97   8.661  -3.839   7.969
  777    H    GLN  98           H        GLN  98  13.759  -2.278   6.250
  778    HA   GLN  98           HA       GLN  98  14.960  -0.435   4.306
  779   1HB   GLN  98          2HB       GLN  98  15.696  -0.662   6.808
  780   2HB   GLN  98          1HB       GLN  98  16.551  -2.087   6.235
  781   1HG   GLN  98          2HG       GLN  98  18.230  -0.702   5.794
  782   2HG   GLN  98          1HG       GLN  98  17.278  -0.187   4.403
  783   1HE2  GLN  98          1HE2      GLN  98  16.995   0.429   7.886
  784   2HE2  GLN  98          2HE2      GLN  98  17.018   2.151   7.757
  Start of MODEL    6
    1   1H    ARG   1          1HT       ARG   1   9.537   4.169  12.466
    2   2H    ARG   1          2HT       ARG   1   9.932   4.603  14.078
    3   3H    ARG   1          3HT       ARG   1  11.120   3.895  13.062
    4    HA   ARG   1           HA       ARG   1   9.847   6.528  12.734
    5   1HB   ARG   1          2HB       ARG   1  12.701   5.748  13.362
    6   2HB   ARG   1          1HB       ARG   1  12.061   7.382  13.263
    7   1HG   ARG   1          2HG       ARG   1  11.800   7.263  15.465
    8   2HG   ARG   1          1HG       ARG   1  10.438   6.191  15.140
    9   1HD   ARG   1          2HD       ARG   1  11.497   4.540  16.179
   10   2HD   ARG   1          1HD       ARG   1  12.805   4.637  15.001
   11    HE   ARG   1           HE       ARG   1  12.798   5.680  17.692
   12   1HH1  ARG   1          1HH1      ARG   1  14.287   5.839  14.538
   13   2HH1  ARG   1          2HH1      ARG   1  15.773   6.496  15.136
   14   1HH2  ARG   1          1HH2      ARG   1  14.752   6.545  18.477
   15   2HH2  ARG   1          2HH2      ARG   1  16.037   6.896  17.370
   16    H    GLU   2           H        GLU   2  10.330   7.632  10.876
   17    HA   GLU   2           HA       GLU   2  11.250   8.087   8.815
   18   1HB   GLU   2          2HB       GLU   2  12.439   5.320   8.717
   19   2HB   GLU   2          1HB       GLU   2  12.893   6.732   7.775
   20   1HG   GLU   2          2HG       GLU   2  13.148   7.226  10.609
   21   2HG   GLU   2          1HG       GLU   2  14.087   5.822  10.103
   22    H    TRP   3           H        TRP   3   9.340   5.358   9.627
   23    HA   TRP   3           HA       TRP   3   8.361   5.224   6.853
   24   1HB   TRP   3          2HB       TRP   3   7.313   2.987   7.804
   25   2HB   TRP   3          1HB       TRP   3   8.974   3.042   7.211
   26    HD1  TRP   3           HD       TRP   3  10.876   3.446   9.277
   27    HE1  TRP   3           1HE      TRP   3  10.910   2.341  11.602
   28    HE3  TRP   3           3HE      TRP   3   5.975   2.032   9.572
   29    HZ2  TRP   3           2HZ      TRP   3   9.096   1.040  13.332
   30    HZ3  TRP   3           3HZ      TRP   3   5.204   0.861  11.593
   31    HH2  TRP   3           HH       TRP   3   6.733   0.376  13.434
   32    H    TYR   4           H        TYR   4   7.083   4.597  10.139
   33    HA   TYR   4           HA       TYR   4   4.469   5.497   9.279
   34   1HB   TYR   4          2HB       TYR   4   3.626   4.636  11.297
   35   2HB   TYR   4          1HB       TYR   4   4.919   3.523  10.856
   36    HD1  TYR   4           1HD      TYR   4   3.741   5.949  13.285
   37    HD2  TYR   4           2HD      TYR   4   7.065   3.574  12.102
   38    HE1  TYR   4           1HE      TYR   4   4.762   6.287  15.496
   39    HE2  TYR   4           2HE      TYR   4   8.095   3.904  14.309
   40    HH   TYR   4           HH       TYR   4   6.890   4.539  16.827
   41    H    TYR   5           H        TYR   5   4.024   7.581   9.199
   42    HA   TYR   5           HA       TYR   5   4.123   9.293  11.413
   43   1HB   TYR   5          2HB       TYR   5   6.640   9.007  10.432
   44   2HB   TYR   5          1HB       TYR   5   6.077  10.379   9.483
   45    HD1  TYR   5           1HD      TYR   5   8.201   9.996  11.875
   46    HD2  TYR   5           2HD      TYR   5   4.318  11.697  11.514
   47    HE1  TYR   5           1HE      TYR   5   8.684  11.487  13.771
   48    HE2  TYR   5           2HE      TYR   5   4.790  13.192  13.407
   49    HH   TYR   5           HH       TYR   5   7.939  13.577  14.707
   50    H    GLY   6           H        GLY   6   2.389   8.530   9.215
   51   1HA   GLY   6          2HA       GLY   6   0.760   9.581   7.977
   52   2HA   GLY   6          1HA       GLY   6   1.399  11.120   8.533
   53    H    ASN   7           H        ASN   7   3.921   9.409   7.231
   54    HA   ASN   7           HA       ASN   7   3.417  10.050   4.454
   55   1HB   ASN   7          2HB       ASN   7   5.590  11.453   6.024
   56   2HB   ASN   7          1HB       ASN   7   5.453  11.474   4.268
   57   1HD2  ASN   7          1HD2      ASN   7   3.115  12.074   3.556
   58   2HD2  ASN   7          2HD2      ASN   7   2.473  13.487   4.315
   59    H    VAL   8           H        VAL   8   4.195   8.410   3.320
   60    HA   VAL   8           HA       VAL   8   6.706   7.164   4.133
   61    HB   VAL   8           HB       VAL   8   4.574   5.357   3.122
   62   1HG1  VAL   8          1HG1      VAL   8   6.999   4.725   3.518
   63   2HG1  VAL   8          2HG1      VAL   8   5.780   3.692   4.264
   64   3HG1  VAL   8          3HG1      VAL   8   6.648   4.877   5.240
   65   1HG2  VAL   8          1HG2      VAL   8   3.299   6.351   4.812
   66   2HG2  VAL   8          2HG2      VAL   8   4.688   6.522   5.884
   67   3HG2  VAL   8          3HG2      VAL   8   4.000   4.927   5.580
   68    H    THR   9           H        THR   9   4.431   6.220   1.665
   69    HA   THR   9           HA       THR   9   6.250   5.779  -0.345
   70    HB   THR   9           HB       THR   9   3.573   6.837  -1.117
   71    HG1  THR   9           1HG      THR   9   2.556   5.031  -0.318
   72   1HG2  THR   9          1HG2      THR   9   3.499   4.940  -2.559
   73   2HG2  THR   9          2HG2      THR   9   4.953   4.273  -1.825
   74   3HG2  THR   9          3HG2      THR   9   5.044   5.754  -2.772
   75    H    ARG  10           H        ARG  10   5.933   7.096  -2.595
   76    HA   ARG  10           HA       ARG  10   6.389   8.982  -3.779
   77   1HB   ARG  10          2HB       ARG  10   5.072  10.654  -3.125
   78   2HB   ARG  10          1HB       ARG  10   4.915   9.947  -1.532
   79   1HG   ARG  10          2HG       ARG  10   6.765  11.198  -0.707
   80   2HG   ARG  10          1HG       ARG  10   7.194  11.743  -2.333
   81   1HD   ARG  10          2HD       ARG  10   5.094  12.984  -2.472
   82   2HD   ARG  10          1HD       ARG  10   4.650  12.424  -0.860
   83    HE   ARG  10           HE       ARG  10   6.420  14.571  -1.509
   84   1HH1  ARG  10          1HH1      ARG  10   5.732  12.112   0.870
   85   2HH1  ARG  10          2HH1      ARG  10   6.478  12.982   2.168
   86   1HH2  ARG  10          1HH2      ARG  10   7.402  15.717   0.197
   87   2HH2  ARG  10          2HH2      ARG  10   7.426  15.028   1.787
   88    H    HIS  11           H        HIS  11   7.581   9.340  -0.459
   89    HA   HIS  11           HA       HIS  11  10.205  10.093  -1.525
   90   1HB   HIS  11          2HB       HIS  11   9.489  11.709   0.042
   91   2HB   HIS  11          1HB       HIS  11   8.884  10.490   1.154
   92    HD1  HIS  11           1HD      HIS  11  12.346  10.450  -0.353
   93    HD2  HIS  11           2HD      HIS  11  10.485  11.143   3.297
   94    HE1  HIS  11           1HE      HIS  11  14.207  10.616   1.330
   95    HE2  HIS  11           2HE      HIS  11  13.061  11.108   3.519
   96    H    GLN  12           H        GLN  12   8.756   7.990   0.994
   97    HA   GLN  12           HA       GLN  12  11.199   6.524   1.273
   98   1HB   GLN  12          2HB       GLN  12   8.425   6.064   2.375
   99   2HB   GLN  12          1HB       GLN  12   9.825   5.064   2.765
  100   1HG   GLN  12          2HG       GLN  12   9.851   6.503   4.517
  101   2HG   GLN  12          1HG       GLN  12  10.903   7.357   3.395
  102   1HE2  GLN  12          1HE2      GLN  12   8.605   7.836   5.577
  103   2HE2  GLN  12          2HE2      GLN  12   7.832   9.241   4.934
  104    H    ALA  13           H        ALA  13   8.212   6.207  -0.554
  105    HA   ALA  13           HA       ALA  13   8.282   3.502  -1.181
  106   1HB   ALA  13          1HB       ALA  13   7.650   5.154  -3.483
  107   2HB   ALA  13          2HB       ALA  13   6.836   5.672  -2.014
  108   3HB   ALA  13          3HB       ALA  13   6.642   4.019  -2.588
  109    H    GLU  14           H        GLU  14  10.113   6.163  -2.639
  110    HA   GLU  14           HA       GLU  14  11.396   4.378  -4.506
  111   1HB   GLU  14          2HB       GLU  14  12.998   6.523  -4.624
  112   2HB   GLU  14          1HB       GLU  14  11.477   6.429  -5.495
  113   1HG   GLU  14          2HG       GLU  14  10.377   7.688  -3.716
  114   2HG   GLU  14          1HG       GLU  14  11.902   7.760  -2.826
  115    H    CYS  15           H        CYS  15  12.398   6.246  -1.645
  116    HA   CYS  15           HA       CYS  15  14.973   5.190  -1.425
  117   1HB   CYS  15          2HB       CYS  15  13.646   7.057  -0.056
  118   2HB   CYS  15          1HB       CYS  15  13.448   5.724   1.076
  119    HG   CYS  15           HG       CYS  15  16.311   5.794   0.554
  120    H    ALA  16           H        ALA  16  12.039   3.530  -1.194
  121    HA   ALA  16           HA       ALA  16  13.252   1.430   0.461
  122   1HB   ALA  16          1HB       ALA  16  10.381   2.185   0.009
  123   2HB   ALA  16          2HB       ALA  16  11.291   2.221   1.520
  124   3HB   ALA  16          3HB       ALA  16  10.867   0.675   0.781
  125    H    LEU  17           H        LEU  17  11.544   2.046  -2.572
  126    HA   LEU  17           HA       LEU  17  12.232  -0.707  -3.358
  127   1HB   LEU  17          2HB       LEU  17  10.055   0.406  -4.921
  128   2HB   LEU  17          1HB       LEU  17  10.200  -1.156  -4.129
  129    HG   LEU  17           HG       LEU  17   9.267   1.400  -2.879
  130   1HD1  LEU  17          1HD1      LEU  17   7.752   0.112  -4.438
  131   2HD1  LEU  17          2HD1      LEU  17   7.142   0.468  -2.822
  132   3HD1  LEU  17          3HD1      LEU  17   7.752  -1.143  -3.199
  133   1HD2  LEU  17          1HD2      LEU  17   9.728   0.562  -0.890
  134   2HD2  LEU  17          2HD2      LEU  17  10.500  -0.823  -1.659
  135   3HD2  LEU  17          3HD2      LEU  17   8.783  -0.876  -1.262
  136    H    ASN  18           H        ASN  18  13.350   2.158  -3.707
  137    HA   ASN  18           HA       ASN  18  13.320   3.112  -6.240
  138   1HB   ASN  18          2HB       ASN  18  15.758   3.639  -5.851
  139   2HB   ASN  18          1HB       ASN  18  14.666   4.191  -4.604
  140   1HD2  ASN  18          1HD2      ASN  18  17.287   2.128  -5.402
  141   2HD2  ASN  18          2HD2      ASN  18  17.585   1.523  -3.811
  142    H    GLU  19           H        GLU  19  14.990   0.297  -5.014
  143    HA   GLU  19           HA       GLU  19  16.615  -0.354  -7.173
  144   1HB   GLU  19          2HB       GLU  19  15.309  -1.913  -5.001
  145   2HB   GLU  19          1HB       GLU  19  15.977  -2.815  -6.354
  146   1HG   GLU  19          2HG       GLU  19  17.457  -0.919  -4.546
  147   2HG   GLU  19          1HG       GLU  19  17.599  -2.676  -4.588
  148    H    ARG  20           H        ARG  20  13.181  -0.747  -6.764
  149    HA   ARG  20           HA       ARG  20  11.538  -1.068  -8.321
  150   1HB   ARG  20          2HB       ARG  20  13.254  -0.080  -9.963
  151   2HB   ARG  20          1HB       ARG  20  13.605  -1.746 -10.403
  152   1HG   ARG  20          2HG       ARG  20  11.677  -1.997 -11.537
  153   2HG   ARG  20          1HG       ARG  20  10.758  -0.995 -10.413
  154   1HD   ARG  20          2HD       ARG  20  10.782   0.245 -12.390
  155   2HD   ARG  20          1HD       ARG  20  12.050   0.977 -11.409
  156    HE   ARG  20           HE       ARG  20  13.536   0.394 -13.030
  157   1HH1  ARG  20          1HH1      ARG  20  10.766  -1.712 -13.293
  158   2HH1  ARG  20          2HH1      ARG  20  11.352  -2.512 -14.712
  159   1HH2  ARG  20          1HH2      ARG  20  14.307  -0.656 -14.899
  160   2HH2  ARG  20          2HH2      ARG  20  13.362  -1.914 -15.624
  161    H    GLY  21           H        GLY  21  11.283  -2.898  -6.838
  162   1HA   GLY  21          2HA       GLY  21  10.388  -5.118  -7.040
  163   2HA   GLY  21          1HA       GLY  21  11.520  -5.418  -8.349
  164    H    VAL  22           H        VAL  22  11.484  -4.639  -4.881
  165    HA   VAL  22           HA       VAL  22  13.612  -6.627  -4.502
  166    HB   VAL  22           HB       VAL  22  14.546  -5.055  -2.717
  167   1HG1  VAL  22          1HG1      VAL  22  15.674  -5.549  -4.837
  168   2HG1  VAL  22          2HG1      VAL  22  15.947  -3.886  -4.317
  169   3HG1  VAL  22          3HG1      VAL  22  14.791  -4.229  -5.604
  170   1HG2  VAL  22          1HG2      VAL  22  13.869  -2.910  -2.539
  171   2HG2  VAL  22          2HG2      VAL  22  12.369  -3.550  -3.209
  172   3HG2  VAL  22          3HG2      VAL  22  13.539  -2.760  -4.265
  173    H    GLU  23           H        GLU  23  13.056  -8.091  -3.042
  174    HA   GLU  23           HA       GLU  23  11.838  -9.191  -1.453
  175   1HB   GLU  23          2HB       GLU  23  12.033  -8.261   0.748
  176   2HB   GLU  23          1HB       GLU  23  13.490  -7.856  -0.145
  177   1HG   GLU  23          2HG       GLU  23  12.806  -5.608  -0.423
  178   2HG   GLU  23          1HG       GLU  23  11.176  -5.964   0.147
  179    H    GLY  24           H        GLY  24  10.093  -8.390   0.536
  180   1HA   GLY  24          2HA       GLY  24   7.798  -7.475  -1.075
  181   2HA   GLY  24          1HA       GLY  24   7.691  -8.528   0.334
  182    H    ASP  25           H        ASP  25   8.294  -5.233  -0.741
  183    HA   ASP  25           HA       ASP  25   7.689  -4.310   1.991
  184   1HB   ASP  25          2HB       ASP  25   9.997  -3.808   0.974
  185   2HB   ASP  25          1HB       ASP  25   9.148  -2.675  -0.074
  186    H    PHE  26           H        PHE  26   5.968  -3.047   2.293
  187    HA   PHE  26           HA       PHE  26   4.695  -1.785  -0.041
  188   1HB   PHE  26          2HB       PHE  26   3.623  -3.953   1.301
  189   2HB   PHE  26          1HB       PHE  26   2.825  -2.584   2.050
  190    HD1  PHE  26           1HD      PHE  26   2.858  -0.852  -0.501
  191    HD2  PHE  26           2HD      PHE  26   1.657  -4.851   0.254
  192    HE1  PHE  26           1HE      PHE  26   1.296  -0.728  -2.373
  193    HE2  PHE  26           2HE      PHE  26   0.070  -4.738  -1.619
  194    HZ   PHE  26           HZ       PHE  26  -0.116  -2.666  -2.940
  195    H    LEU  27           H        LEU  27   3.571   0.126   0.386
  196    HA   LEU  27           HA       LEU  27   3.539   1.184   3.089
  197   1HB   LEU  27          2HB       LEU  27   4.818   3.245   2.260
  198   2HB   LEU  27          1HB       LEU  27   5.735   1.798   2.664
  199    HG   LEU  27           HG       LEU  27   4.862   2.167  -0.170
  200   1HD1  LEU  27          1HD1      LEU  27   7.460   3.359   0.620
  201   2HD1  LEU  27          2HD1      LEU  27   6.008   4.290   0.991
  202   3HD1  LEU  27          3HD1      LEU  27   6.345   3.805  -0.667
  203   1HD2  LEU  27          1HD2      LEU  27   6.008   0.216  -0.057
  204   2HD2  LEU  27          2HD2      LEU  27   6.926   0.700   1.370
  205   3HD2  LEU  27          3HD2      LEU  27   7.398   1.289  -0.224
  206    H    ILE  28           H        ILE  28   1.897   2.580   3.373
  207    HA   ILE  28           HA       ILE  28   0.741   3.843   0.989
  208    HB   ILE  28           HB       ILE  28  -0.706   1.984   1.706
  209   1HG1  ILE  28          2HG1      ILE  28  -2.019   4.629   2.325
  210   2HG1  ILE  28          1HG1      ILE  28  -1.605   4.115   0.689
  211   1HG2  ILE  28          1HG2      ILE  28  -2.057   2.561   3.862
  212   2HG2  ILE  28          2HG2      ILE  28  -0.579   3.404   4.311
  213   3HG2  ILE  28          3HG2      ILE  28  -0.535   1.679   3.961
  214   1HD1  ILE  28          1HD1      ILE  28  -3.899   3.477   2.248
  215   2HD1  ILE  28          2HD1      ILE  28  -3.019   1.994   1.884
  216   3HD1  ILE  28          3HD1      ILE  28  -3.540   3.054   0.574
  217    H    ARG  29           H        ARG  29   0.266   5.964   1.144
  218    HA   ARG  29           HA       ARG  29   0.373   7.231   3.791
  219   1HB   ARG  29          2HB       ARG  29   1.711   9.097   2.629
  220   2HB   ARG  29          1HB       ARG  29   2.560   7.614   3.059
  221   1HG   ARG  29          2HG       ARG  29   2.472   6.832   0.804
  222   2HG   ARG  29          1HG       ARG  29   1.432   8.171   0.326
  223   1HD   ARG  29          2HD       ARG  29   4.245   8.478   1.375
  224   2HD   ARG  29          1HD       ARG  29   3.826   8.445  -0.334
  225    HE   ARG  29           HE       ARG  29   3.508  10.640   1.478
  226   1HH1  ARG  29          1HH1      ARG  29   2.247   9.164  -1.422
  227   2HH1  ARG  29          2HH1      ARG  29   1.599  10.645  -2.044
  228   1HH2  ARG  29          1HH2      ARG  29   2.654  12.589   0.662
  229   2HH2  ARG  29          2HH2      ARG  29   1.831  12.589  -0.862
  230    H    ASP  30           H        ASP  30  -0.570   9.355   3.877
  231    HA   ASP  30           HA       ASP  30  -2.827   9.600   2.067
  232   1HB   ASP  30          2HB       ASP  30  -2.126  11.267   4.492
  233   2HB   ASP  30          1HB       ASP  30  -3.665  11.262   3.637
  234    H    SER  31           H        SER  31  -3.337  11.534   0.934
  235    HA   SER  31           HA       SER  31  -0.959  12.955   0.022
  236   1HB   SER  31          2HB       SER  31  -2.665  11.921  -1.565
  237   2HB   SER  31          1HB       SER  31  -3.756  13.221  -1.084
  238    HG   SER  31           HG       SER  31  -2.391  14.700  -1.973
  239    H    GLU  32           H        GLU  32  -0.673  15.152   0.151
  240    HA   GLU  32           HA       GLU  32  -2.034  16.487   2.289
  241   1HB   GLU  32          2HB       GLU  32  -0.562  18.411   1.668
  242   2HB   GLU  32          1HB       GLU  32   0.307  16.921   2.009
  243   1HG   GLU  32          2HG       GLU  32   0.890  16.598  -0.200
  244   2HG   GLU  32          1HG       GLU  32  -0.425  17.607  -0.801
  245    H    SER  33           H        SER  33  -2.104  16.615  -1.218
  246    HA   SER  33           HA       SER  33  -3.598  18.987  -1.496
  247   1HB   SER  33          2HB       SER  33  -2.335  17.568  -3.287
  248   2HB   SER  33          1HB       SER  33  -3.863  16.698  -3.423
  249    HG   SER  33           HG       SER  33  -3.643  19.515  -3.639
  250    H    SER  34           H        SER  34  -4.636  15.579  -1.502
  251    HA   SER  34           HA       SER  34  -7.400  16.480  -1.093
  252   1HB   SER  34          2HB       SER  34  -6.175  14.027  -2.280
  253   2HB   SER  34          1HB       SER  34  -7.765  13.890  -1.528
  254    HG   SER  34           HG       SER  34  -8.433  15.627  -2.914
  255    HA   PRO  35           HA       PRO  35  -7.102  15.145   3.134
  256   1HB   PRO  35          2HB       PRO  35  -9.713  15.203   3.790
  257   2HB   PRO  35          1HB       PRO  35  -8.782  16.680   3.515
  258   1HG   PRO  35          2HG       PRO  35 -10.657  15.252   1.668
  259   2HG   PRO  35          1HG       PRO  35 -10.509  16.990   1.985
  260   1HD   PRO  35          2HD       PRO  35  -9.414  15.770  -0.192
  261   2HD   PRO  35          1HD       PRO  35  -8.724  17.223   0.557
  262    H    SER  36           H        SER  36  -9.053  13.477   0.772
  263    HA   SER  36           HA       SER  36  -8.919  11.046   2.432
  264   1HB   SER  36          2HB       SER  36 -11.176  12.259   0.960
  265   2HB   SER  36          1HB       SER  36 -10.992  10.518   0.749
  266    HG   SER  36           HG       SER  36 -11.137  10.260   2.967
  267    H    ASP  37           H        ASP  37  -6.758  11.260   1.091
  268    HA   ASP  37           HA       ASP  37  -7.091   9.478  -1.214
  269   1HB   ASP  37          2HB       ASP  37  -6.654  12.058  -1.708
  270   2HB   ASP  37          1HB       ASP  37  -4.982  11.579  -1.397
  271    H    PHE  38           H        PHE  38  -5.656   7.845  -1.290
  272    HA   PHE  38           HA       PHE  38  -3.176   8.020   0.237
  273   1HB   PHE  38          2HB       PHE  38  -4.688   5.473   0.546
  274   2HB   PHE  38          1HB       PHE  38  -3.568   6.262   1.658
  275    HD1  PHE  38           1HD      PHE  38  -4.359   7.560   3.430
  276    HD2  PHE  38           2HD      PHE  38  -7.013   6.434   0.300
  277    HE1  PHE  38           1HE      PHE  38  -6.259   8.408   4.742
  278    HE2  PHE  38           2HE      PHE  38  -8.919   7.281   1.606
  279    HZ   PHE  38           HZ       PHE  38  -8.543   8.270   3.830
  280    H    SER  39           H        SER  39  -1.525   6.658  -0.506
  281    HA   SER  39           HA       SER  39  -2.133   5.114  -2.943
  282   1HB   SER  39          2HB       SER  39  -0.243   7.369  -2.596
  283   2HB   SER  39          1HB       SER  39   0.375   5.981  -3.492
  284    HG   SER  39           HG       SER  39  -2.048   7.347  -4.062
  285    H    VAL  40           H        VAL  40  -0.978   3.198  -3.203
  286    HA   VAL  40           HA       VAL  40   0.953   2.578  -1.073
  287    HB   VAL  40           HB       VAL  40   0.054   0.509  -0.585
  288   1HG1  VAL  40          1HG1      VAL  40  -2.645   1.367  -1.173
  289   2HG1  VAL  40          2HG1      VAL  40  -1.673   2.672  -0.501
  290   3HG1  VAL  40          3HG1      VAL  40  -1.840   1.156   0.381
  291   1HG2  VAL  40          1HG2      VAL  40  -0.102  -0.125  -3.038
  292   2HG2  VAL  40          2HG2      VAL  40  -1.731   0.533  -2.993
  293   3HG2  VAL  40          3HG2      VAL  40  -1.299  -0.825  -1.956
  294    H    SER  41           H        SER  41   2.759   1.496  -1.634
  295    HA   SER  41           HA       SER  41   2.980   0.552  -4.415
  296   1HB   SER  41          2HB       SER  41   4.217   2.750  -3.672
  297   2HB   SER  41          1HB       SER  41   5.376   1.617  -2.977
  298    HG   SER  41           HG       SER  41   4.521   1.693  -5.684
  299    H    LEU  42           H        LEU  42   3.693  -1.514  -4.660
  300    HA   LEU  42           HA       LEU  42   5.138  -2.758  -2.425
  301   1HB   LEU  42          2HB       LEU  42   2.705  -3.451  -2.446
  302   2HB   LEU  42          1HB       LEU  42   3.029  -4.258  -3.969
  303    HG   LEU  42           HG       LEU  42   4.739  -5.630  -2.784
  304   1HD1  LEU  42          1HD1      LEU  42   4.463  -3.669  -0.842
  305   2HD1  LEU  42          2HD1      LEU  42   5.376  -5.167  -0.701
  306   3HD1  LEU  42          3HD1      LEU  42   3.708  -5.096  -0.138
  307   1HD2  LEU  42          1HD2      LEU  42   2.372  -6.139  -1.154
  308   2HD2  LEU  42          2HD2      LEU  42   3.175  -7.164  -2.342
  309   3HD2  LEU  42          3HD2      LEU  42   2.022  -5.939  -2.870
  310    H    LYS  43           H        LYS  43   6.334  -4.673  -2.979
  311    HA   LYS  43           HA       LYS  43   7.389  -4.527  -5.711
  312   1HB   LYS  43          2HB       LYS  43   8.546  -5.593  -3.139
  313   2HB   LYS  43          1HB       LYS  43   9.327  -5.790  -4.703
  314   1HG   LYS  43          2HG       LYS  43   8.714  -3.198  -3.306
  315   2HG   LYS  43          1HG       LYS  43  10.303  -3.931  -3.533
  316   1HD   LYS  43          2HD       LYS  43  10.373  -2.543  -5.315
  317   2HD   LYS  43          1HD       LYS  43   9.462  -3.842  -6.084
  318   1HE   LYS  43          2HE       LYS  43   7.585  -2.249  -4.736
  319   2HE   LYS  43          1HE       LYS  43   8.676  -1.137  -5.561
  320   1HZ   LYS  43          1HZ       LYS  43   7.931  -3.328  -7.228
  321   2HZ   LYS  43          2HZ       LYS  43   7.799  -1.666  -7.513
  322   3HZ   LYS  43          3HZ       LYS  43   6.574  -2.479  -6.679
  323    H    ALA  44           H        ALA  44   8.482  -6.806  -6.258
  324    HA   ALA  44           HA       ALA  44   7.202  -9.176  -5.460
  325   1HB   ALA  44          1HB       ALA  44   6.271  -8.549  -8.206
  326   2HB   ALA  44          2HB       ALA  44   5.423  -7.779  -6.865
  327   3HB   ALA  44          3HB       ALA  44   5.522  -9.537  -6.953
  328    H    SER  45           H        SER  45   7.461 -10.858  -7.484
  329    HA   SER  45           HA       SER  45  10.246 -11.060  -7.879
  330   1HB   SER  45          2HB       SER  45   8.276 -12.854  -8.000
  331   2HB   SER  45          1HB       SER  45   8.392 -12.498  -9.724
  332    HG   SER  45           HG       SER  45  10.178 -13.592  -9.794
  333    H    GLY  46           H        GLY  46  10.759  -8.978  -8.773
  334   1HA   GLY  46          2HA       GLY  46  11.488  -7.727 -10.558
  335   2HA   GLY  46          1HA       GLY  46  10.954  -9.020 -11.625
  336    H    LYS  47           H        LYS  47   8.348  -8.322  -9.783
  337    HA   LYS  47           HA       LYS  47   7.301  -6.432 -11.761
  338   1HB   LYS  47          2HB       LYS  47   6.284  -8.882 -10.611
  339   2HB   LYS  47          1HB       LYS  47   5.169  -7.557 -10.335
  340   1HG   LYS  47          2HG       LYS  47   6.232  -8.491 -12.992
  341   2HG   LYS  47          1HG       LYS  47   4.594  -8.704 -12.373
  342   1HD   LYS  47          2HD       LYS  47   4.012  -6.537 -12.779
  343   2HD   LYS  47          1HD       LYS  47   5.650  -5.935 -12.530
  344   1HE   LYS  47          2HE       LYS  47   6.236  -6.236 -14.689
  345   2HE   LYS  47          1HE       LYS  47   5.279  -7.708 -14.851
  346   1HZ   LYS  47          1HZ       LYS  47   3.296  -6.081 -14.734
  347   2HZ   LYS  47          2HZ       LYS  47   4.155  -6.227 -16.184
  348   3HZ   LYS  47          3HZ       LYS  47   4.435  -4.906 -15.166
  349    H    ASN  48           H        ASN  48   5.580  -4.950 -10.907
  350    HA   ASN  48           HA       ASN  48   5.933  -4.277  -8.078
  351   1HB   ASN  48          2HB       ASN  48   6.059  -1.843  -8.749
  352   2HB   ASN  48          1HB       ASN  48   7.484  -2.806  -9.137
  353   1HD2  ASN  48          1HD2      ASN  48   8.077  -3.070 -11.226
  354   2HD2  ASN  48          2HD2      ASN  48   7.280  -2.315 -12.560
  355    H    LYS  49           H        LYS  49   3.885  -4.605  -7.348
  356    HA   LYS  49           HA       LYS  49   1.631  -3.876  -8.985
  357   1HB   LYS  49          2HB       LYS  49   1.882  -5.149  -6.278
  358   2HB   LYS  49          1HB       LYS  49   0.333  -4.748  -7.008
  359   1HG   LYS  49          2HG       LYS  49   0.580  -6.934  -7.601
  360   2HG   LYS  49          1HG       LYS  49   1.229  -6.125  -9.021
  361   1HD   LYS  49          2HD       LYS  49   3.499  -6.397  -8.025
  362   2HD   LYS  49          1HD       LYS  49   2.754  -7.349  -6.743
  363   1HE   LYS  49          2HE       LYS  49   3.711  -8.786  -8.471
  364   2HE   LYS  49          1HE       LYS  49   1.956  -8.963  -8.387
  365   1HZ   LYS  49          1HZ       LYS  49   3.116  -7.043 -10.287
  366   2HZ   LYS  49          2HZ       LYS  49   1.665  -7.908 -10.386
  367   3HZ   LYS  49          3HZ       LYS  49   3.137  -8.692 -10.669
  368    H    HIS  50           H        HIS  50   1.203  -1.753  -9.086
  369    HA   HIS  50           HA       HIS  50   1.267  -0.182  -6.601
  370   1HB   HIS  50          2HB       HIS  50   1.106   1.781  -8.274
  371   2HB   HIS  50          1HB       HIS  50   2.638   0.928  -8.137
  372    HD1  HIS  50           1HD      HIS  50   3.589   0.001 -10.257
  373    HD2  HIS  50           2HD      HIS  50  -0.433   0.979 -10.626
  374    HE1  HIS  50           1HE      HIS  50   3.046  -0.294 -12.695
  375    HE2  HIS  50           2HE      HIS  50   0.630   0.387 -12.909
  376    H    PHE  51           H        PHE  51  -0.522   0.941  -5.927
  377    HA   PHE  51           HA       PHE  51  -2.924   0.914  -7.569
  378   1HB   PHE  51          2HB       PHE  51  -2.996  -0.253  -4.786
  379   2HB   PHE  51          1HB       PHE  51  -4.308  -0.199  -5.959
  380    HD1  PHE  51           1HD      PHE  51  -3.852  -1.439  -8.210
  381    HD2  PHE  51           2HD      PHE  51  -1.739  -2.168  -4.589
  382    HE1  PHE  51           1HE      PHE  51  -3.200  -3.660  -9.042
  383    HE2  PHE  51           2HE      PHE  51  -1.082  -4.390  -5.415
  384    HZ   PHE  51           HZ       PHE  51  -1.812  -5.139  -7.644
  385    H    LYS  52           H        LYS  52  -4.153   2.666  -7.276
  386    HA   LYS  52           HA       LYS  52  -3.328   4.588  -5.239
  387   1HB   LYS  52          2HB       LYS  52  -3.943   4.959  -7.848
  388   2HB   LYS  52          1HB       LYS  52  -5.516   5.251  -7.119
  389   1HG   LYS  52          2HG       LYS  52  -4.652   7.029  -5.784
  390   2HG   LYS  52          1HG       LYS  52  -2.997   6.659  -6.277
  391   1HD   LYS  52          2HD       LYS  52  -4.170   7.017  -8.689
  392   2HD   LYS  52          1HD       LYS  52  -5.120   8.127  -7.699
  393   1HE   LYS  52          2HE       LYS  52  -3.470   9.594  -8.038
  394   2HE   LYS  52          1HE       LYS  52  -2.544   8.633  -6.886
  395   1HZ   LYS  52          1HZ       LYS  52  -1.233   8.917  -8.830
  396   2HZ   LYS  52          2HZ       LYS  52  -2.493   8.424  -9.845
  397   3HZ   LYS  52          3HZ       LYS  52  -1.750   7.306  -8.817
  398    H    VAL  53           H        VAL  53  -4.458   4.876  -3.414
  399    HA   VAL  53           HA       VAL  53  -7.082   3.581  -3.220
  400    HB   VAL  53           HB       VAL  53  -5.282   4.540  -0.989
  401   1HG1  VAL  53          1HG1      VAL  53  -7.234   4.411   0.134
  402   2HG1  VAL  53          2HG1      VAL  53  -6.861   2.688   0.137
  403   3HG1  VAL  53          3HG1      VAL  53  -7.975   3.345  -1.059
  404   1HG2  VAL  53          1HG2      VAL  53  -5.641   1.823  -2.221
  405   2HG2  VAL  53          2HG2      VAL  53  -4.956   2.061  -0.615
  406   3HG2  VAL  53          3HG2      VAL  53  -4.150   2.744  -2.027
  407    H    GLN  54           H        GLN  54  -8.691   4.946  -3.682
  408    HA   GLN  54           HA       GLN  54  -8.676   7.626  -2.439
  409   1HB   GLN  54          2HB       GLN  54  -8.381   7.410  -5.034
  410   2HB   GLN  54          1HB       GLN  54 -10.112   7.100  -5.014
  411   1HG   GLN  54          2HG       GLN  54  -9.684   9.367  -3.407
  412   2HG   GLN  54          1HG       GLN  54  -8.718   9.586  -4.865
  413   1HE2  GLN  54          1HE2      GLN  54 -11.784   9.788  -3.499
  414   2HE2  GLN  54          2HE2      GLN  54 -12.687  10.072  -4.944
  415    H    LEU  55           H        LEU  55 -10.534   8.315  -1.486
  416    HA   LEU  55           HA       LEU  55 -12.515   6.276  -0.970
  417   1HB   LEU  55          2HB       LEU  55 -12.255   7.248   1.028
  418   2HB   LEU  55          1HB       LEU  55 -11.555   8.697   0.330
  419    HG   LEU  55           HG       LEU  55 -13.643   9.005   1.709
  420   1HD1  LEU  55          1HD1      LEU  55 -13.731  10.933   0.643
  421   2HD1  LEU  55          2HD1      LEU  55 -14.530  10.177  -0.735
  422   3HD1  LEU  55          3HD1      LEU  55 -12.769  10.236  -0.660
  423   1HD2  LEU  55          1HD2      LEU  55 -14.649   6.951   0.199
  424   2HD2  LEU  55          2HD2      LEU  55 -15.389   8.369  -0.545
  425   3HD2  LEU  55          3HD2      LEU  55 -15.603   8.065   1.179
  426    H    VAL  56           H        VAL  56 -14.173   6.003  -2.238
  427    HA   VAL  56           HA       VAL  56 -15.255   8.292  -3.730
  428    HB   VAL  56           HB       VAL  56 -14.380   5.841  -4.681
  429   1HG1  VAL  56          1HG1      VAL  56 -17.381   5.914  -4.837
  430   2HG1  VAL  56          2HG1      VAL  56 -16.464   4.868  -3.759
  431   3HG1  VAL  56          3HG1      VAL  56 -16.306   4.686  -5.503
  432   1HG2  VAL  56          1HG2      VAL  56 -16.330   7.655  -6.086
  433   2HG2  VAL  56          2HG2      VAL  56 -15.073   6.650  -6.805
  434   3HG2  VAL  56          3HG2      VAL  56 -14.631   8.061  -5.844
  435    H    ASP  57           H        ASP  57 -17.385   8.744  -3.690
  436    HA   ASP  57           HA       ASP  57 -19.312   9.072  -2.429
  437   1HB   ASP  57          2HB       ASP  57 -20.992   7.436  -3.164
  438   2HB   ASP  57          1HB       ASP  57 -19.953   7.962  -4.487
  439    H    ASN  58           H        ASN  58 -17.689   8.474  -0.447
  440    HA   ASN  58           HA       ASN  58 -17.757   7.844   1.744
  441   1HB   ASN  58          2HB       ASN  58 -20.240   8.210   1.461
  442   2HB   ASN  58          1HB       ASN  58 -20.387   6.478   1.176
  443   1HD2  ASN  58          1HD2      ASN  58 -18.522   8.440   3.472
  444   2HD2  ASN  58          2HD2      ASN  58 -19.098   7.635   4.887
  445    H    VAL  59           H        VAL  59 -16.641   6.108  -0.375
  446    HA   VAL  59           HA       VAL  59 -16.264   3.788   1.299
  447    HB   VAL  59           HB       VAL  59 -16.621   2.117  -0.387
  448   1HG1  VAL  59          1HG1      VAL  59 -18.501   2.817   1.041
  449   2HG1  VAL  59          2HG1      VAL  59 -19.014   2.162  -0.515
  450   3HG1  VAL  59          3HG1      VAL  59 -19.033   3.905  -0.241
  451   1HG2  VAL  59          1HG2      VAL  59 -16.068   3.638  -2.327
  452   2HG2  VAL  59          2HG2      VAL  59 -17.728   4.217  -2.225
  453   3HG2  VAL  59          3HG2      VAL  59 -17.408   2.522  -2.572
  454    H    TYR  60           H        TYR  60 -14.212   3.239   1.382
  455    HA   TYR  60           HA       TYR  60 -12.322   4.674  -0.207
  456   1HB   TYR  60          2HB       TYR  60 -11.665   2.381   1.616
  457   2HB   TYR  60          1HB       TYR  60 -10.679   3.788   1.211
  458    HD1  TYR  60           1HD      TYR  60 -11.201   5.990   2.196
  459    HD2  TYR  60           2HD      TYR  60 -13.289   2.475   3.374
  460    HE1  TYR  60           1HE      TYR  60 -12.016   7.154   4.202
  461    HE2  TYR  60           2HE      TYR  60 -14.110   3.630   5.384
  462    HH   TYR  60           HH       TYR  60 -13.079   5.807   6.806
  463    H    CYS  61           H        CYS  61 -11.346   4.077  -2.022
  464    HA   CYS  61           HA       CYS  61 -11.738   1.314  -2.952
  465   1HB   CYS  61          2HB       CYS  61 -12.079   2.077  -5.101
  466   2HB   CYS  61          1HB       CYS  61 -12.761   3.405  -4.173
  467    HG   CYS  61           HG       CYS  61 -11.242   4.854  -5.408
  468    H    ILE  62           H        ILE  62 -10.107   0.286  -4.116
  469    HA   ILE  62           HA       ILE  62  -7.448   1.508  -4.141
  470    HB   ILE  62           HB       ILE  62  -7.908  -1.235  -2.954
  471   1HG1  ILE  62          2HG1      ILE  62  -7.549   1.477  -1.760
  472   2HG1  ILE  62          1HG1      ILE  62  -8.528   0.119  -1.199
  473   1HG2  ILE  62          1HG2      ILE  62  -5.449  -1.027  -2.395
  474   2HG2  ILE  62          2HG2      ILE  62  -5.402   0.360  -3.481
  475   3HG2  ILE  62          3HG2      ILE  62  -5.825  -1.234  -4.104
  476   1HD1  ILE  62          1HD1      ILE  62  -6.572   0.750   0.246
  477   2HD1  ILE  62          2HD1      ILE  62  -5.524   0.149  -1.035
  478   3HD1  ILE  62          3HD1      ILE  62  -6.651  -0.944  -0.233
  479    H    GLY  63           H        GLY  63  -6.795   1.375  -6.178
  480   1HA   GLY  63          2HA       GLY  63  -6.161   0.398  -8.177
  481   2HA   GLY  63          1HA       GLY  63  -6.701  -1.154  -7.542
  482    H    GLN  64           H        GLN  64  -8.997  -1.638  -7.636
  483    HA   GLN  64           HA       GLN  64 -10.642   0.027  -9.349
  484   1HB   GLN  64          2HB       GLN  64 -11.152  -2.015 -10.816
  485   2HB   GLN  64          1HB       GLN  64  -9.640  -1.164 -11.102
  486   1HG   GLN  64          2HG       GLN  64  -8.598  -2.906  -9.533
  487   2HG   GLN  64          1HG       GLN  64 -10.084  -3.818  -9.794
  488   1HE2  GLN  64          1HE2      GLN  64 -10.670  -3.586 -12.337
  489   2HE2  GLN  64          2HE2      GLN  64  -9.394  -4.148 -13.357
  490    H    ARG  65           H        ARG  65 -10.679  -0.995  -6.584
  491    HA   ARG  65           HA       ARG  65 -13.384  -2.099  -6.654
  492   1HB   ARG  65          2HB       ARG  65 -11.348  -3.817  -6.255
  493   2HB   ARG  65          1HB       ARG  65 -11.594  -3.272  -4.602
  494   1HG   ARG  65          2HG       ARG  65 -12.886  -5.239  -4.915
  495   2HG   ARG  65          1HG       ARG  65 -14.004  -3.876  -4.844
  496   1HD   ARG  65          2HD       ARG  65 -13.907  -3.859  -7.381
  497   2HD   ARG  65          1HD       ARG  65 -13.100  -5.421  -7.260
  498    HE   ARG  65           HE       ARG  65 -15.545  -5.356  -5.790
  499   1HH1  ARG  65          1HH1      ARG  65 -14.208  -5.726  -8.992
  500   2HH1  ARG  65          2HH1      ARG  65 -15.547  -6.652  -9.580
  501   1HH2  ARG  65          1HH2      ARG  65 -17.308  -6.573  -6.562
  502   2HH2  ARG  65          2HH2      ARG  65 -17.308  -7.133  -8.201
  503    H    ARG  66           H        ARG  66 -14.595  -1.719  -4.718
  504    HA   ARG  66           HA       ARG  66 -13.425   0.386  -3.029
  505   1HB   ARG  66          2HB       ARG  66 -16.133   0.094  -4.248
  506   2HB   ARG  66          1HB       ARG  66 -15.962   0.971  -2.732
  507   1HG   ARG  66          2HG       ARG  66 -15.848   2.548  -4.500
  508   2HG   ARG  66          1HG       ARG  66 -14.236   2.389  -3.828
  509   1HD   ARG  66          2HD       ARG  66 -14.333   2.458  -6.326
  510   2HD   ARG  66          1HD       ARG  66 -13.526   1.046  -5.656
  511    HE   ARG  66           HE       ARG  66 -15.371  -0.283  -6.286
  512   1HH1  ARG  66          1HH1      ARG  66 -15.701   3.042  -7.322
  513   2HH1  ARG  66          2HH1      ARG  66 -16.907   2.677  -8.507
  514   1HH2  ARG  66          1HH2      ARG  66 -16.955  -0.751  -7.845
  515   2HH2  ARG  66          2HH2      ARG  66 -17.619   0.529  -8.804
  516    H    PHE  67           H        PHE  67 -13.508   0.190  -0.894
  517    HA   PHE  67           HA       PHE  67 -15.082  -1.968   0.296
  518   1HB   PHE  67          2HB       PHE  67 -12.148  -1.479   0.824
  519   2HB   PHE  67          1HB       PHE  67 -13.157  -2.700   1.601
  520    HD1  PHE  67           1HD      PHE  67 -10.838  -2.155  -0.932
  521    HD2  PHE  67           2HD      PHE  67 -14.448  -4.262  -0.129
  522    HE1  PHE  67           1HE      PHE  67 -10.321  -3.729  -2.752
  523    HE2  PHE  67           2HE      PHE  67 -13.935  -5.842  -1.945
  524    HZ   PHE  67           HZ       PHE  67 -11.868  -5.576  -3.258
  525    H    HIS  68           H        HIS  68 -15.262  -1.819   2.660
  526    HA   HIS  68           HA       HIS  68 -15.642   0.955   3.449
  527   1HB   HIS  68          2HB       HIS  68 -16.856   0.033   5.361
  528   2HB   HIS  68          1HB       HIS  68 -17.432  -0.678   3.858
  529    HD1  HIS  68           1HD      HIS  68 -17.679  -3.133   3.923
  530    HD2  HIS  68           2HD      HIS  68 -14.853  -1.795   6.659
  531    HE1  HIS  68           1HE      HIS  68 -16.924  -5.184   5.167
  532    HE2  HIS  68           2HE      HIS  68 -15.155  -4.361   6.761
  533    H    THR  69           H        THR  69 -12.952  -0.340   3.242
  534    HA   THR  69           HA       THR  69 -11.989   0.423   5.901
  535    HB   THR  69           HB       THR  69 -12.149  -2.099   5.590
  536    HG1  THR  69           1HG      THR  69  -9.588  -0.969   6.062
  537   1HG2  THR  69          1HG2      THR  69 -11.277  -2.012   3.200
  538   2HG2  THR  69          2HG2      THR  69 -10.640  -3.268   4.262
  539   3HG2  THR  69          3HG2      THR  69  -9.678  -1.829   3.921
  540    H    MET  70           H        MET  70  -9.633   1.003   5.860
  541    HA   MET  70           HA       MET  70  -7.984   1.227   3.734
  542   1HB   MET  70          2HB       MET  70 -10.209   2.809   3.167
  543   2HB   MET  70          1HB       MET  70  -8.986   3.949   3.694
  544   1HG   MET  70          2HG       MET  70  -8.565   3.867   1.460
  545   2HG   MET  70          1HG       MET  70  -7.450   2.642   2.056
  546   1HE   MET  70          1HE       MET  70  -9.271  -0.246   2.214
  547   2HE   MET  70          2HE       MET  70  -7.630   0.324   1.916
  548   3HE   MET  70          3HE       MET  70  -8.494  -0.573   0.668
  549    H    ASP  71           H        ASP  71  -6.123   1.980   4.419
  550    HA   ASP  71           HA       ASP  71  -4.539   3.181   5.569
  551   1HB   ASP  71          2HB       ASP  71  -6.376   4.956   5.770
  552   2HB   ASP  71          1HB       ASP  71  -6.657   4.304   7.384
  553    H    GLU  72           H        GLU  72  -7.055   1.352   7.031
  554    HA   GLU  72           HA       GLU  72  -5.270   0.545   9.224
  555   1HB   GLU  72          2HB       GLU  72  -8.235  -0.001   8.984
  556   2HB   GLU  72          1HB       GLU  72  -7.222  -0.224  10.403
  557   1HG   GLU  72          2HG       GLU  72  -7.464   2.495   9.221
  558   2HG   GLU  72          1HG       GLU  72  -8.797   1.852  10.178
  559    H    LEU  73           H        LEU  73  -6.711  -0.340   6.288
  560    HA   LEU  73           HA       LEU  73  -6.544  -3.180   6.655
  561   1HB   LEU  73          2HB       LEU  73  -7.281  -3.356   4.368
  562   2HB   LEU  73          1HB       LEU  73  -8.270  -2.183   5.213
  563    HG   LEU  73           HG       LEU  73  -7.938  -0.768   3.528
  564   1HD1  LEU  73          1HD1      LEU  73  -6.024   0.059   4.946
  565   2HD1  LEU  73          2HD1      LEU  73  -5.956   0.455   3.237
  566   3HD1  LEU  73          3HD1      LEU  73  -4.961  -0.847   3.874
  567   1HD2  LEU  73          1HD2      LEU  73  -6.122  -2.909   2.552
  568   2HD2  LEU  73          2HD2      LEU  73  -6.196  -1.364   1.706
  569   3HD2  LEU  73          3HD2      LEU  73  -7.653  -2.342   1.886
  570    H    VAL  74           H        VAL  74  -4.267  -0.910   6.249
  571    HA   VAL  74           HA       VAL  74  -2.635  -2.479   4.433
  572    HB   VAL  74           HB       VAL  74  -1.278  -0.263   5.725
  573   1HG1  VAL  74          1HG1      VAL  74  -0.181  -0.770   3.829
  574   2HG1  VAL  74          2HG1      VAL  74  -1.377   0.254   3.036
  575   3HG1  VAL  74          3HG1      VAL  74  -1.609  -1.487   3.089
  576   1HG2  VAL  74          1HG2      VAL  74  -2.624   1.495   5.399
  577   2HG2  VAL  74          2HG2      VAL  74  -3.939   0.335   5.284
  578   3HG2  VAL  74          3HG2      VAL  74  -3.149   0.912   3.823
  579    H    GLU  75           H        GLU  75  -3.352  -2.196   7.662
  580    HA   GLU  75           HA       GLU  75  -0.765  -3.249   8.568
  581   1HB   GLU  75          2HB       GLU  75  -3.139  -2.463  10.265
  582   2HB   GLU  75          1HB       GLU  75  -1.492  -2.755  10.807
  583   1HG   GLU  75          2HG       GLU  75  -1.729  -0.662   8.780
  584   2HG   GLU  75          1HG       GLU  75  -2.570  -0.313  10.289
  585    H    HIS  76           H        HIS  76  -4.084  -4.066   8.035
  586    HA   HIS  76           HA       HIS  76  -3.563  -6.798   8.999
  587   1HB   HIS  76          2HB       HIS  76  -6.053  -5.116   9.134
  588   2HB   HIS  76          1HB       HIS  76  -6.144  -6.873   9.187
  589    HD1  HIS  76           1HD      HIS  76  -6.466  -4.377  11.461
  590    HD2  HIS  76           2HD      HIS  76  -3.823  -7.579  11.292
  591    HE1  HIS  76           1HE      HIS  76  -5.688  -4.731  13.825
  592    HE2  HIS  76           2HE      HIS  76  -4.156  -6.728  13.712
  593    H    TYR  77           H        TYR  77  -3.692  -5.077   6.253
  594    HA   TYR  77           HA       TYR  77  -4.318  -5.434   4.100
  595   1HB   TYR  77          2HB       TYR  77  -4.040  -8.188   3.825
  596   2HB   TYR  77          1HB       TYR  77  -2.806  -6.962   3.551
  597    HD1  TYR  77           1HD      TYR  77  -1.103  -6.525   5.252
  598    HD2  TYR  77           2HD      TYR  77  -4.024  -9.568   5.803
  599    HE1  TYR  77           1HE      TYR  77   0.247  -7.484   7.070
  600    HE2  TYR  77           2HE      TYR  77  -2.683 -10.535   7.622
  601    HH   TYR  77           HH       TYR  77  -0.217 -10.536   8.289
  602    H    LYS  78           H        LYS  78  -6.594  -5.033   5.288
  603    HA   LYS  78           HA       LYS  78  -8.467  -7.154   5.291
  604   1HB   LYS  78          2HB       LYS  78  -9.045  -4.218   4.841
  605   2HB   LYS  78          1HB       LYS  78 -10.157  -5.433   5.457
  606   1HG   LYS  78          2HG       LYS  78  -7.642  -4.958   6.960
  607   2HG   LYS  78          1HG       LYS  78  -8.916  -3.736   7.050
  608   1HD   LYS  78          2HD       LYS  78 -10.364  -5.986   7.431
  609   2HD   LYS  78          1HD       LYS  78  -8.826  -6.472   8.147
  610   1HE   LYS  78          2HE       LYS  78 -10.471  -4.047   8.864
  611   2HE   LYS  78          1HE       LYS  78 -10.246  -5.499   9.845
  612   1HZ   LYS  78          1HZ       LYS  78  -8.004  -3.743   9.017
  613   2HZ   LYS  78          2HZ       LYS  78  -7.982  -4.970  10.181
  614   3HZ   LYS  78          3HZ       LYS  78  -8.842  -3.544  10.473
  615    H    LYS  79           H        LYS  79 -10.151  -5.055   3.384
  616    HA   LYS  79           HA       LYS  79  -9.893  -6.792   1.102
  617   1HB   LYS  79          2HB       LYS  79 -11.427  -4.206   1.449
  618   2HB   LYS  79          1HB       LYS  79 -11.545  -5.273   0.057
  619   1HG   LYS  79          2HG       LYS  79 -13.326  -6.059   1.187
  620   2HG   LYS  79          1HG       LYS  79 -12.094  -7.033   1.994
  621   1HD   LYS  79          2HD       LYS  79 -12.131  -5.732   3.906
  622   2HD   LYS  79          1HD       LYS  79 -12.781  -4.326   3.059
  623   1HE   LYS  79          2HE       LYS  79 -14.296  -6.875   3.609
  624   2HE   LYS  79          1HE       LYS  79 -14.428  -5.395   4.558
  625   1HZ   LYS  79          1HZ       LYS  79 -15.254  -5.843   1.751
  626   2HZ   LYS  79          2HZ       LYS  79 -15.073  -4.290   2.396
  627   3HZ   LYS  79          3HZ       LYS  79 -16.210  -5.353   3.059
  628    H    ALA  80           H        ALA  80  -7.517  -6.214   1.214
  629    HA   ALA  80           HA       ALA  80  -6.872  -3.797  -0.304
  630   1HB   ALA  80          1HB       ALA  80  -5.084  -3.599   0.994
  631   2HB   ALA  80          2HB       ALA  80  -4.575  -5.246   0.636
  632   3HB   ALA  80          3HB       ALA  80  -5.702  -4.943   1.955
  633    HA   PRO  81           HA       PRO  81  -5.878  -5.981  -4.012
  634   1HB   PRO  81          2HB       PRO  81  -3.525  -4.790  -4.744
  635   2HB   PRO  81          1HB       PRO  81  -5.115  -4.039  -4.964
  636   1HG   PRO  81          2HG       PRO  81  -3.124  -3.658  -2.751
  637   2HG   PRO  81          1HG       PRO  81  -4.032  -2.425  -3.659
  638   1HD   PRO  81          2HD       PRO  81  -4.836  -3.170  -1.230
  639   2HD   PRO  81          1HD       PRO  81  -6.026  -2.887  -2.520
  640    H    ILE  82           H        ILE  82  -4.607  -6.876  -1.296
  641    HA   ILE  82           HA       ILE  82  -2.050  -7.827  -1.785
  642    HB   ILE  82           HB       ILE  82  -4.095  -9.188  -0.049
  643   1HG1  ILE  82          2HG1      ILE  82  -4.229  -7.084   0.873
  644   2HG1  ILE  82          1HG1      ILE  82  -2.902  -7.784   1.795
  645   1HG2  ILE  82          1HG2      ILE  82  -2.431 -10.462   0.694
  646   2HG2  ILE  82          2HG2      ILE  82  -1.335  -9.091   0.844
  647   3HG2  ILE  82          3HG2      ILE  82  -1.532  -9.896  -0.712
  648   1HD1  ILE  82          1HD1      ILE  82  -1.912  -5.840   1.330
  649   2HD1  ILE  82          2HD1      ILE  82  -2.928  -5.522  -0.073
  650   3HD1  ILE  82          3HD1      ILE  82  -1.543  -6.598  -0.215
  651    H    PHE  83           H        PHE  83  -1.303  -9.635  -2.689
  652    HA   PHE  83           HA       PHE  83  -3.189 -11.664  -3.664
  653   1HB   PHE  83          2HB       PHE  83  -2.173  -9.675  -5.349
  654   2HB   PHE  83          1HB       PHE  83  -1.221 -11.117  -5.719
  655    HD1  PHE  83           1HD      PHE  83  -4.019  -9.342  -6.644
  656    HD2  PHE  83           2HD      PHE  83  -2.783 -13.330  -5.822
  657    HE1  PHE  83           1HE      PHE  83  -5.866 -10.195  -8.027
  658    HE2  PHE  83           2HE      PHE  83  -4.627 -14.191  -7.205
  659    HZ   PHE  83           HZ       PHE  83  -6.171 -12.623  -8.310
  660    H    THR  84           H        THR  84  -2.392 -13.738  -3.667
  661    HA   THR  84           HA       THR  84   0.448 -13.986  -2.940
  662    HB   THR  84           HB       THR  84  -1.476 -16.171  -2.332
  663    HG1  THR  84           1HG      THR  84  -2.576 -14.848  -1.144
  664   1HG2  THR  84          1HG2      THR  84   0.701 -15.154  -0.578
  665   2HG2  THR  84          2HG2      THR  84   1.088 -16.174  -1.951
  666   3HG2  THR  84          3HG2      THR  84   0.023 -16.770  -0.679
  667    H    SER  85           H        SER  85   1.675 -15.642  -3.672
  668    HA   SER  85           HA       SER  85   0.716 -17.012  -6.094
  669   1HB   SER  85          2HB       SER  85   2.422 -15.482  -6.760
  670   2HB   SER  85          1HB       SER  85   3.421 -15.890  -5.362
  671    HG   SER  85           HG       SER  85   3.831 -17.891  -6.273
  672    H    GLU  86           H        GLU  86   1.072 -19.216  -6.221
  673    HA   GLU  86           HA       GLU  86   0.975 -20.936  -4.235
  674   1HB   GLU  86          2HB       GLU  86   1.161 -21.596  -6.609
  675   2HB   GLU  86          1HB       GLU  86   2.898 -21.333  -6.533
  676   1HG   GLU  86          2HG       GLU  86   2.580 -23.649  -6.318
  677   2HG   GLU  86          1HG       GLU  86   2.958 -23.061  -4.700
  678    H    HIS  87           H        HIS  87   4.176 -19.931  -5.437
  679    HA   HIS  87           HA       HIS  87   5.219 -20.344  -2.715
  680   1HB   HIS  87          2HB       HIS  87   7.451 -20.779  -4.061
  681   2HB   HIS  87          1HB       HIS  87   6.300 -22.079  -3.776
  682    HD1  HIS  87           1HD      HIS  87   7.071 -19.534  -6.497
  683    HD2  HIS  87           2HD      HIS  87   5.588 -23.387  -6.033
  684    HE1  HIS  87           1HE      HIS  87   6.728 -20.408  -8.830
  685    HE2  HIS  87           2HE      HIS  87   5.915 -22.773  -8.523
  686    H    GLY  88           H        GLY  88   4.217 -17.973  -4.324
  687   1HA   GLY  88          2HA       GLY  88   6.642 -16.339  -4.391
  688   2HA   GLY  88          1HA       GLY  88   5.107 -15.911  -5.122
  689    H    GLU  89           H        GLU  89   4.039 -17.015  -2.375
  690    HA   GLU  89           HA       GLU  89   3.567 -16.225  -0.300
  691   1HB   GLU  89          2HB       GLU  89   5.759 -14.271  -0.936
  692   2HB   GLU  89          1HB       GLU  89   4.777 -14.114   0.513
  693   1HG   GLU  89          2HG       GLU  89   5.982 -15.637   1.548
  694   2HG   GLU  89          1HG       GLU  89   5.636 -16.801   0.270
  695    H    LYS  90           H        LYS  90   2.755 -14.157   0.770
  696    HA   LYS  90           HA       LYS  90   0.659 -13.159  -0.957
  697   1HB   LYS  90          2HB       LYS  90   1.187 -12.731   1.988
  698   2HB   LYS  90          1HB       LYS  90  -0.241 -12.171   1.131
  699   1HG   LYS  90          2HG       LYS  90  -0.868 -14.122   2.282
  700   2HG   LYS  90          1HG       LYS  90  -0.727 -14.582   0.594
  701   1HD   LYS  90          2HD       LYS  90   0.234 -16.229   2.207
  702   2HD   LYS  90          1HD       LYS  90   1.377 -15.655   0.996
  703   1HE   LYS  90          2HE       LYS  90   2.378 -14.166   2.559
  704   2HE   LYS  90          1HE       LYS  90   1.148 -14.514   3.769
  705   1HZ   LYS  90          1HZ       LYS  90   3.208 -16.387   2.736
  706   2HZ   LYS  90          2HZ       LYS  90   1.953 -16.835   3.777
  707   3HZ   LYS  90          3HZ       LYS  90   3.125 -15.730   4.293
  708    H    LEU  91           H        LEU  91   0.524 -11.169  -1.832
  709    HA   LEU  91           HA       LEU  91   2.654  -9.245  -1.411
  710   1HB   LEU  91          2HB       LEU  91   0.043  -8.874  -2.907
  711   2HB   LEU  91          1HB       LEU  91   1.441  -7.832  -2.993
  712    HG   LEU  91           HG       LEU  91   1.672 -10.685  -3.848
  713   1HD1  LEU  91          1HD1      LEU  91   0.625 -10.359  -5.821
  714   2HD1  LEU  91          2HD1      LEU  91   1.052  -8.649  -5.887
  715   3HD1  LEU  91          3HD1      LEU  91  -0.293  -9.184  -4.879
  716   1HD2  LEU  91          1HD2      LEU  91   3.759  -9.791  -3.927
  717   2HD2  LEU  91          2HD2      LEU  91   3.165  -8.146  -4.159
  718   3HD2  LEU  91          3HD2      LEU  91   3.185  -9.276  -5.514
  719    H    TYR  92           H        TYR  92   2.424  -8.814   0.766
  720    HA   TYR  92           HA       TYR  92  -0.129  -7.696   1.668
  721   1HB   TYR  92          2HB       TYR  92   2.125  -9.103   3.039
  722   2HB   TYR  92          1HB       TYR  92   1.146  -7.966   3.966
  723    HD1  TYR  92           1HD      TYR  92  -1.538  -8.387   3.041
  724    HD2  TYR  92           2HD      TYR  92   1.542 -11.252   3.654
  725    HE1  TYR  92           1HE      TYR  92  -3.239 -10.128   3.389
  726    HE2  TYR  92           2HE      TYR  92  -0.150 -13.005   4.003
  727    HH   TYR  92           HH       TYR  92  -3.227 -12.796   3.092
  728    H    LEU  93           H        LEU  93  -0.178  -5.819   2.921
  729    HA   LEU  93           HA       LEU  93   1.821  -3.929   2.099
  730   1HB   LEU  93          2HB       LEU  93  -0.581  -3.316   3.777
  731   2HB   LEU  93          1HB       LEU  93   0.332  -2.231   2.737
  732    HG   LEU  93           HG       LEU  93  -0.785  -4.457   1.242
  733   1HD1  LEU  93          1HD1      LEU  93  -2.884  -2.582   2.204
  734   2HD1  LEU  93          2HD1      LEU  93  -2.469  -3.982   3.193
  735   3HD1  LEU  93          3HD1      LEU  93  -3.038  -4.206   1.541
  736   1HD2  LEU  93          1HD2      LEU  93   0.132  -2.133   0.528
  737   2HD2  LEU  93          2HD2      LEU  93  -1.510  -1.592   0.868
  738   3HD2  LEU  93          3HD2      LEU  93  -1.228  -2.850  -0.334
  739    H    VAL  94           H        VAL  94   3.321  -5.296   3.507
  740    HA   VAL  94           HA       VAL  94   3.289  -5.214   6.277
  741    HB   VAL  94           HB       VAL  94   4.845  -6.660   5.289
  742   1HG1  VAL  94          1HG1      VAL  94   5.257  -4.541   3.437
  743   2HG1  VAL  94          2HG1      VAL  94   5.690  -6.246   3.302
  744   3HG1  VAL  94          3HG1      VAL  94   6.812  -5.108   4.046
  745   1HG2  VAL  94          1HG2      VAL  94   5.672  -4.872   7.207
  746   2HG2  VAL  94          2HG2      VAL  94   6.987  -4.850   6.032
  747   3HG2  VAL  94          3HG2      VAL  94   6.486  -6.373   6.767
  748    H    ARG  95           H        ARG  95   6.000  -3.473   4.957
  749    HA   ARG  95           HA       ARG  95   5.045  -0.875   5.614
  750   1HB   ARG  95          2HB       ARG  95   6.698  -2.339   7.618
  751   2HB   ARG  95          1HB       ARG  95   7.003  -0.612   7.358
  752   1HG   ARG  95          2HG       ARG  95   5.407  -0.273   8.868
  753   2HG   ARG  95          1HG       ARG  95   4.271  -0.719   7.589
  754   1HD   ARG  95          2HD       ARG  95   4.974  -3.164   8.508
  755   2HD   ARG  95          1HD       ARG  95   5.123  -2.210   9.987
  756    HE   ARG  95           HE       ARG  95   2.660  -1.781   8.563
  757   1HH1  ARG  95          1HH1      ARG  95   4.299  -3.740  10.942
  758   2HH1  ARG  95          2HH1      ARG  95   2.834  -4.263  11.704
  759   1HH2  ARG  95          1HH2      ARG  95   0.734  -2.465   9.566
  760   2HH2  ARG  95          2HH2      ARG  95   0.809  -3.538  10.923
  761    H    ALA  96           H        ALA  96   6.934   0.676   5.819
  762    HA   ALA  96           HA       ALA  96   8.459   0.480   3.413
  763   1HB   ALA  96          1HB       ALA  96   9.161   2.602   5.280
  764   2HB   ALA  96          2HB       ALA  96   7.430   2.489   4.967
  765   3HB   ALA  96          3HB       ALA  96   8.557   2.702   3.626
  766    H    LEU  97           H        LEU  97  10.506  -0.189   3.179
  767    HA   LEU  97           HA       LEU  97  12.614  -0.910   3.625
  768   1HB   LEU  97          2HB       LEU  97  12.291   0.627   6.205
  769   2HB   LEU  97          1HB       LEU  97  13.802   0.022   5.556
  770    HG   LEU  97           HG       LEU  97  13.785   2.316   5.049
  771   1HD1  LEU  97          1HD1      LEU  97  12.825   0.831   2.609
  772   2HD1  LEU  97          2HD1      LEU  97  14.492   0.982   3.163
  773   3HD1  LEU  97          3HD1      LEU  97  13.619   2.406   2.595
  774   1HD2  LEU  97          1HD2      LEU  97  11.159   2.253   3.653
  775   2HD2  LEU  97          2HD2      LEU  97  11.979   3.589   4.460
  776   3HD2  LEU  97          3HD2      LEU  97  11.180   2.339   5.414
  777    H    GLN  98           H        GLN  98  11.316  -0.871   6.944
  778    HA   GLN  98           HA       GLN  98  11.533  -3.808   6.969
  779   1HB   GLN  98          2HB       GLN  98  12.788  -1.813   8.727
  780   2HB   GLN  98          1HB       GLN  98  11.973  -3.115   9.583
  781   1HG   GLN  98          2HG       GLN  98  14.107  -3.936   9.360
  782   2HG   GLN  98          1HG       GLN  98  13.284  -4.665   7.982
  783   1HE2  GLN  98          1HE2      GLN  98  15.982  -3.026   8.952
  784   2HE2  GLN  98          2HE2      GLN  98  16.516  -2.429   7.422
  Start of MODEL    7
    1   1H    ARG   1          1HT       ARG   1  10.179   2.541  14.274
    2   2H    ARG   1          2HT       ARG   1   9.356   3.744  13.369
    3   3H    ARG   1          3HT       ARG   1  10.359   4.195  14.686
    4    HA   ARG   1           HA       ARG   1  11.610   4.663  12.853
    5   1HB   ARG   1          2HB       ARG   1  12.614   3.185  14.681
    6   2HB   ARG   1          1HB       ARG   1  12.431   1.847  13.556
    7   1HG   ARG   1          2HG       ARG   1  14.677   2.661  13.436
    8   2HG   ARG   1          1HG       ARG   1  13.844   3.073  11.935
    9   1HD   ARG   1          2HD       ARG   1  15.199   4.939  12.738
   10   2HD   ARG   1          1HD       ARG   1  13.483   5.343  12.748
   11    HE   ARG   1           HE       ARG   1  13.581   5.557  15.024
   12   1HH1  ARG   1          1HH1      ARG   1  16.425   3.856  13.930
   13   2HH1  ARG   1          2HH1      ARG   1  17.197   3.895  15.479
   14   1HH2  ARG   1          1HH2      ARG   1  14.595   5.609  17.063
   15   2HH2  ARG   1          2HH2      ARG   1  16.158   4.888  17.259
   16    H    GLU   2           H        GLU   2   9.785   1.708  12.489
   17    HA   GLU   2           HA       GLU   2  10.577   1.485   9.680
   18   1HB   GLU   2          2HB       GLU   2   8.804  -0.377  11.264
   19   2HB   GLU   2          1HB       GLU   2   9.547  -0.691   9.702
   20   1HG   GLU   2          2HG       GLU   2  11.456  -0.006  11.802
   21   2HG   GLU   2          1HG       GLU   2  10.537  -1.477  12.115
   22    H    TRP   3           H        TRP   3   8.827   3.628  10.742
   23    HA   TRP   3           HA       TRP   3   6.920   3.644   8.655
   24   1HB   TRP   3          2HB       TRP   3   4.872   3.712  10.118
   25   2HB   TRP   3          1HB       TRP   3   5.635   2.124   9.986
   26    HD1  TRP   3           HD       TRP   3   5.050   4.970  12.488
   27    HE1  TRP   3           1HE      TRP   3   5.483   4.076  14.861
   28    HE3  TRP   3           3HE      TRP   3   6.913   0.361  11.293
   29    HZ2  TRP   3           2HZ      TRP   3   6.481   1.728  16.068
   30    HZ3  TRP   3           3HZ      TRP   3   7.582  -1.148  13.117
   31    HH2  TRP   3           HH       TRP   3   7.371  -0.477  15.455
   32    H    TYR   4           H        TYR   4   7.392   5.685   8.115
   33    HA   TYR   4           HA       TYR   4   7.876   7.725  10.071
   34   1HB   TYR   4          2HB       TYR   4   8.207   7.400   7.218
   35   2HB   TYR   4          1HB       TYR   4   7.459   8.957   7.576
   36    HD1  TYR   4           1HD      TYR   4  10.446   7.712   6.769
   37    HD2  TYR   4           2HD      TYR   4   8.689   9.853   9.998
   38    HE1  TYR   4           1HE      TYR   4  12.651   8.630   7.352
   39    HE2  TYR   4           2HE      TYR   4  10.889  10.777  10.590
   40    HH   TYR   4           HH       TYR   4  13.375  10.960   8.707
   41    H    TYR   5           H        TYR   5   5.662   7.194  11.058
   42    HA   TYR   5           HA       TYR   5   3.519   7.804  11.528
   43   1HB   TYR   5          2HB       TYR   5   4.990  10.110  11.020
   44   2HB   TYR   5          1HB       TYR   5   3.521  10.332  10.077
   45    HD1  TYR   5           1HD      TYR   5   1.554   8.943  11.834
   46    HD2  TYR   5           2HD      TYR   5   4.721  11.620  12.786
   47    HE1  TYR   5           1HE      TYR   5   0.356   9.628  13.868
   48    HE2  TYR   5           2HE      TYR   5   3.532  12.312  14.823
   49    HH   TYR   5           HH       TYR   5   0.936  12.316  15.528
   50    H    GLY   6           H        GLY   6   1.770   9.522   9.937
   51   1HA   GLY   6          2HA       GLY   6   0.772   7.516   8.155
   52   2HA   GLY   6          1HA       GLY   6   0.081   9.108   8.417
   53    H    ASN   7           H        ASN   7   3.270   9.574   7.705
   54    HA   ASN   7           HA       ASN   7   2.642  10.069   4.880
   55   1HB   ASN   7          2HB       ASN   7   4.945  11.231   6.450
   56   2HB   ASN   7          1HB       ASN   7   4.323  11.770   4.893
   57   1HD2  ASN   7          1HD2      ASN   7   1.795  12.157   5.093
   58   2HD2  ASN   7          2HD2      ASN   7   1.363  13.219   6.385
   59    H    VAL   8           H        VAL   8   3.351   8.549   3.551
   60    HA   VAL   8           HA       VAL   8   6.103   7.614   3.768
   61    HB   VAL   8           HB       VAL   8   4.227   5.419   3.192
   62   1HG1  VAL   8          1HG1      VAL   8   5.957   4.162   3.845
   63   2HG1  VAL   8          2HG1      VAL   8   6.224   5.115   5.305
   64   3HG1  VAL   8          3HG1      VAL   8   6.886   5.659   3.763
   65   1HG2  VAL   8          1HG2      VAL   8   3.628   4.991   5.504
   66   2HG2  VAL   8          2HG2      VAL   8   3.007   6.562   4.999
   67   3HG2  VAL   8          3HG2      VAL   8   4.447   6.468   6.013
   68    H    THR   9           H        THR   9   6.175   5.736   1.837
   69    HA   THR   9           HA       THR   9   6.545   5.646  -0.410
   70    HB   THR   9           HB       THR   9   3.784   6.351  -1.094
   71    HG1  THR   9           1HG      THR   9   3.652   5.523   1.114
   72   1HG2  THR   9          1HG2      THR   9   3.827   3.927  -1.857
   73   2HG2  THR   9          2HG2      THR   9   5.556   4.002  -1.528
   74   3HG2  THR   9          3HG2      THR   9   4.838   5.089  -2.714
   75    H    ARG  10           H        ARG  10   5.745   6.806  -2.647
   76    HA   ARG  10           HA       ARG  10   5.905   8.642  -3.980
   77   1HB   ARG  10          2HB       ARG  10   4.381  10.005  -2.949
   78   2HB   ARG  10          1HB       ARG  10   5.150   9.865  -1.386
   79   1HG   ARG  10          2HG       ARG  10   6.931  11.398  -2.160
   80   2HG   ARG  10          1HG       ARG  10   6.055  11.585  -3.684
   81   1HD   ARG  10          2HD       ARG  10   4.081  12.348  -2.312
   82   2HD   ARG  10          1HD       ARG  10   5.167  12.397  -0.923
   83    HE   ARG  10           HE       ARG  10   5.021  14.290  -3.070
   84   1HH1  ARG  10          1HH1      ARG  10   7.121  12.898  -0.653
   85   2HH1  ARG  10          2HH1      ARG  10   8.179  14.267  -0.604
   86   1HH2  ARG  10          1HH2      ARG  10   6.415  16.092  -3.006
   87   2HH2  ARG  10          2HH2      ARG  10   7.780  16.079  -1.940
   88    H    HIS  11           H        HIS  11   7.548   9.276  -0.907
   89    HA   HIS  11           HA       HIS  11  10.009   9.908  -2.382
   90   1HB   HIS  11          2HB       HIS  11   9.345  11.671  -0.849
   91   2HB   HIS  11          1HB       HIS  11   9.164  10.514   0.465
   92    HD1  HIS  11           1HD      HIS  11  11.923  11.854  -1.782
   93    HD2  HIS  11           2HD      HIS  11  11.365  10.302   2.031
   94    HE1  HIS  11           1HE      HIS  11  14.156  12.050  -0.643
   95    HE2  HIS  11           2HE      HIS  11  13.816  11.025   1.634
   96    H    GLN  12           H        GLN  12   8.558   7.935   0.111
   97    HA   GLN  12           HA       GLN  12  10.954   6.482   0.725
   98   1HB   GLN  12          2HB       GLN  12   8.082   5.810   1.396
   99   2HB   GLN  12          1HB       GLN  12   9.523   5.114   2.140
  100   1HG   GLN  12          2HG       GLN  12   9.329   8.045   2.262
  101   2HG   GLN  12          1HG       GLN  12   8.105   7.161   3.178
  102   1HE2  GLN  12          1HE2      GLN  12  10.683   8.762   3.767
  103   2HE2  GLN  12          2HE2      GLN  12  11.492   7.778   4.934
  104    H    ALA  13           H        ALA  13   8.106   6.026  -1.334
  105    HA   ALA  13           HA       ALA  13   8.457   3.318  -1.934
  106   1HB   ALA  13          1HB       ALA  13   6.655   3.671  -3.164
  107   2HB   ALA  13          2HB       ALA  13   7.549   4.732  -4.253
  108   3HB   ALA  13          3HB       ALA  13   6.796   5.389  -2.802
  109    H    GLU  14           H        GLU  14  10.325   6.052  -2.901
  110    HA   GLU  14           HA       GLU  14  11.578   4.552  -5.065
  111   1HB   GLU  14          2HB       GLU  14  12.723   7.158  -4.311
  112   2HB   GLU  14          1HB       GLU  14  12.375   6.490  -5.901
  113   1HG   GLU  14          2HG       GLU  14  10.071   7.239  -4.204
  114   2HG   GLU  14          1HG       GLU  14  11.059   8.530  -4.868
  115    H    CYS  15           H        CYS  15  12.436   6.250  -2.094
  116    HA   CYS  15           HA       CYS  15  15.098   5.310  -1.965
  117   1HB   CYS  15          2HB       CYS  15  13.736   7.159  -0.578
  118   2HB   CYS  15          1HB       CYS  15  13.647   5.833   0.577
  119    HG   CYS  15           HG       CYS  15  16.447   5.919   0.087
  120    H    ALA  16           H        ALA  16  12.156   3.683  -1.544
  121    HA   ALA  16           HA       ALA  16  13.375   1.592   0.119
  122   1HB   ALA  16          1HB       ALA  16  10.484   2.113  -0.560
  123   2HB   ALA  16          2HB       ALA  16  11.285   2.496   0.964
  124   3HB   ALA  16          3HB       ALA  16  11.073   0.814   0.477
  125    H    LEU  17           H        LEU  17  11.834   2.189  -2.985
  126    HA   LEU  17           HA       LEU  17  12.394  -0.593  -3.753
  127   1HB   LEU  17          2HB       LEU  17  10.561   1.128  -5.333
  128   2HB   LEU  17          1HB       LEU  17  10.564  -0.610  -5.152
  129    HG   LEU  17           HG       LEU  17   9.390   1.448  -3.356
  130   1HD1  LEU  17          1HD1      LEU  17   7.561   0.685  -4.285
  131   2HD1  LEU  17          2HD1      LEU  17   7.856  -0.862  -3.491
  132   3HD1  LEU  17          3HD1      LEU  17   8.463  -0.577  -5.122
  133   1HD2  LEU  17          1HD2      LEU  17   9.174  -1.087  -2.119
  134   2HD2  LEU  17          2HD2      LEU  17   9.885   0.391  -1.475
  135   3HD2  LEU  17          3HD2      LEU  17  10.881  -0.747  -2.378
  136    H    ASN  18           H        ASN  18  13.811   2.187  -3.917
  137    HA   ASN  18           HA       ASN  18  14.262   3.105  -6.416
  138   1HB   ASN  18          2HB       ASN  18  15.614   3.277  -3.986
  139   2HB   ASN  18          1HB       ASN  18  16.820   2.639  -5.097
  140   1HD2  ASN  18          1HD2      ASN  18  17.304   3.847  -6.999
  141   2HD2  ASN  18          2HD2      ASN  18  17.063   5.557  -7.030
  142    H    GLU  19           H        GLU  19  15.288   0.025  -5.117
  143    HA   GLU  19           HA       GLU  19  17.067  -0.621  -7.266
  144   1HB   GLU  19          2HB       GLU  19  17.285  -1.575  -4.989
  145   2HB   GLU  19          1HB       GLU  19  15.786  -2.459  -5.240
  146   1HG   GLU  19          2HG       GLU  19  17.279  -4.082  -5.770
  147   2HG   GLU  19          1HG       GLU  19  17.066  -3.352  -7.361
  148    H    ARG  20           H        ARG  20  13.639  -0.981  -6.711
  149    HA   ARG  20           HA       ARG  20  11.987  -1.566  -8.183
  150   1HB   ARG  20          2HB       ARG  20  13.862  -0.828  -9.917
  151   2HB   ARG  20          1HB       ARG  20  13.892  -2.552 -10.256
  152   1HG   ARG  20          2HG       ARG  20  11.311  -1.040 -10.245
  153   2HG   ARG  20          1HG       ARG  20  12.366  -1.029 -11.659
  154   1HD   ARG  20          2HD       ARG  20  11.819  -3.679 -10.490
  155   2HD   ARG  20          1HD       ARG  20  10.437  -2.868 -11.221
  156    HE   ARG  20           HE       ARG  20  11.481  -2.987 -13.306
  157   1HH1  ARG  20          1HH1      ARG  20  13.495  -4.365 -10.800
  158   2HH1  ARG  20          2HH1      ARG  20  14.544  -5.165 -11.918
  159   1HH2  ARG  20          1HH2      ARG  20  12.862  -4.046 -14.767
  160   2HH2  ARG  20          2HH2      ARG  20  14.187  -4.986 -14.166
  161    H    GLY  21           H        GLY  21  11.213  -3.229  -7.023
  162   1HA   GLY  21          2HA       GLY  21  10.496  -5.464  -6.949
  163   2HA   GLY  21          1HA       GLY  21  11.835  -5.905  -7.994
  164    H    VAL  22           H        VAL  22  10.899  -5.196  -4.674
  165    HA   VAL  22           HA       VAL  22  13.181  -6.801  -3.740
  166    HB   VAL  22           HB       VAL  22  12.189  -4.553  -2.032
  167   1HG1  VAL  22          1HG1      VAL  22  14.849  -4.750  -1.623
  168   2HG1  VAL  22          2HG1      VAL  22  14.473  -6.402  -2.114
  169   3HG1  VAL  22          3HG1      VAL  22  13.640  -5.680  -0.737
  170   1HG2  VAL  22          1HG2      VAL  22  14.575  -3.733  -3.352
  171   2HG2  VAL  22          2HG2      VAL  22  13.011  -2.927  -3.270
  172   3HG2  VAL  22          3HG2      VAL  22  13.340  -4.087  -4.554
  173    H    GLU  23           H        GLU  23  12.497  -8.497  -2.615
  174    HA   GLU  23           HA       GLU  23  10.842  -9.946  -1.814
  175   1HB   GLU  23          2HB       GLU  23  10.423  -8.975   0.672
  176   2HB   GLU  23          1HB       GLU  23  11.892  -9.801   0.175
  177   1HG   GLU  23          2HG       GLU  23  12.893  -7.581  -0.332
  178   2HG   GLU  23          1HG       GLU  23  11.451  -6.830   0.349
  179    H    GLY  24           H        GLY  24   9.525  -7.315   0.115
  180   1HA   GLY  24          2HA       GLY  24   7.209  -7.001  -1.588
  181   2HA   GLY  24          1HA       GLY  24   6.907  -7.892  -0.100
  182    H    ASP  25           H        ASP  25   8.159  -4.789  -1.338
  183    HA   ASP  25           HA       ASP  25   7.621  -3.589   1.273
  184   1HB   ASP  25          2HB       ASP  25   9.502  -3.090  -0.839
  185   2HB   ASP  25          1HB       ASP  25   8.556  -1.638  -0.541
  186    H    PHE  26           H        PHE  26   5.790  -2.574   1.661
  187    HA   PHE  26           HA       PHE  26   4.298  -1.312  -0.534
  188   1HB   PHE  26          2HB       PHE  26   3.432  -3.597   0.742
  189   2HB   PHE  26          1HB       PHE  26   2.607  -2.344   1.633
  190    HD1  PHE  26           1HD      PHE  26   1.259  -4.485  -0.012
  191    HD2  PHE  26           2HD      PHE  26   2.535  -0.555  -1.008
  192    HE1  PHE  26           1HE      PHE  26  -0.480  -4.371  -1.746
  193    HE2  PHE  26           2HE      PHE  26   0.804  -0.431  -2.753
  194    HZ   PHE  26           HZ       PHE  26  -0.711  -2.339  -3.123
  195    H    LEU  27           H        LEU  27   3.637   0.674  -0.100
  196    HA   LEU  27           HA       LEU  27   3.435   1.544   2.685
  197   1HB   LEU  27          2HB       LEU  27   4.741   3.704   1.720
  198   2HB   LEU  27          1HB       LEU  27   5.496   2.405   2.624
  199    HG   LEU  27           HG       LEU  27   5.375   2.384  -0.385
  200   1HD1  LEU  27          1HD1      LEU  27   6.661   4.328   1.050
  201   2HD1  LEU  27          2HD1      LEU  27   7.089   3.803  -0.573
  202   3HD1  LEU  27          3HD1      LEU  27   7.923   3.124   0.822
  203   1HD2  LEU  27          1HD2      LEU  27   6.508   0.691   1.712
  204   2HD2  LEU  27          2HD2      LEU  27   7.655   1.117   0.442
  205   3HD2  LEU  27          3HD2      LEU  27   6.138   0.319   0.028
  206    H    ILE  28           H        ILE  28   2.038   3.188   3.074
  207    HA   ILE  28           HA       ILE  28   0.514   4.211   0.767
  208    HB   ILE  28           HB       ILE  28  -0.718   4.026   3.484
  209   1HG1  ILE  28          2HG1      ILE  28   0.198   1.788   1.857
  210   2HG1  ILE  28          1HG1      ILE  28  -0.309   1.814   3.544
  211   1HG2  ILE  28          1HG2      ILE  28  -1.808   5.108   1.443
  212   2HG2  ILE  28          2HG2      ILE  28  -2.760   3.918   2.330
  213   3HG2  ILE  28          3HG2      ILE  28  -1.983   3.470   0.815
  214   1HD1  ILE  28          1HD1      ILE  28  -1.988   1.491   1.089
  215   2HD1  ILE  28          2HD1      ILE  28  -2.681   1.910   2.650
  216   3HD1  ILE  28          3HD1      ILE  28  -1.811   0.393   2.450
  217    H    ARG  29           H        ARG  29  -0.045   6.368   0.722
  218    HA   ARG  29           HA       ARG  29   1.001   8.045   2.907
  219   1HB   ARG  29          2HB       ARG  29   1.103   9.462   0.419
  220   2HB   ARG  29          1HB       ARG  29   2.414   9.074   1.527
  221   1HG   ARG  29          2HG       ARG  29   2.746   6.947   0.441
  222   2HG   ARG  29          1HG       ARG  29   1.375   7.239  -0.628
  223   1HD   ARG  29          2HD       ARG  29   3.922   8.863  -0.495
  224   2HD   ARG  29          1HD       ARG  29   3.521   7.700  -1.754
  225    HE   ARG  29           HE       ARG  29   2.045   9.230  -2.674
  226   1HH1  ARG  29          1HH1      ARG  29   3.260  10.429   0.375
  227   2HH1  ARG  29          2HH1      ARG  29   2.655  12.031   0.124
  228   1HH2  ARG  29          1HH2      ARG  29   1.257  11.336  -3.002
  229   2HH2  ARG  29          2HH2      ARG  29   1.523  12.548  -1.793
  230    H    ASP  30           H        ASP  30   0.041  10.141   3.111
  231    HA   ASP  30           HA       ASP  30  -2.777  10.152   2.295
  232   1HB   ASP  30          2HB       ASP  30  -2.245  10.355   4.724
  233   2HB   ASP  30          1HB       ASP  30  -1.396  11.857   4.381
  234    H    SER  31           H        SER  31  -3.553  11.643   0.904
  235    HA   SER  31           HA       SER  31  -1.644  13.533  -0.230
  236   1HB   SER  31          2HB       SER  31  -3.634  11.939  -1.352
  237   2HB   SER  31          1HB       SER  31  -4.291  13.574  -1.435
  238    HG   SER  31           HG       SER  31  -2.197  14.158  -2.373
  239    H    GLU  32           H        GLU  32  -1.511  15.198   1.218
  240    HA   GLU  32           HA       GLU  32  -3.407  16.394   2.755
  241   1HB   GLU  32          2HB       GLU  32  -2.066  18.409   2.712
  242   2HB   GLU  32          1HB       GLU  32  -1.013  17.002   2.735
  243   1HG   GLU  32          2HG       GLU  32  -1.449  17.620   0.029
  244   2HG   GLU  32          1HG       GLU  32  -1.133  19.147   0.850
  245    H    SER  33           H        SER  33  -3.048  16.694  -0.708
  246    HA   SER  33           HA       SER  33  -4.470  18.991  -1.256
  247   1HB   SER  33          2HB       SER  33  -3.337  17.648  -2.982
  248   2HB   SER  33          1HB       SER  33  -4.561  16.391  -2.806
  249    HG   SER  33           HG       SER  33  -5.838  17.509  -4.037
  250    H    SER  34           H        SER  34  -5.633  15.923  -0.123
  251    HA   SER  34           HA       SER  34  -8.255  17.058   0.332
  252   1HB   SER  34          2HB       SER  34  -7.794  14.758  -1.559
  253   2HB   SER  34          1HB       SER  34  -9.328  14.959  -0.713
  254    HG   SER  34           HG       SER  34  -9.806  16.592  -1.963
  255    HA   PRO  35           HA       PRO  35  -7.782  14.506   3.915
  256   1HB   PRO  35          2HB       PRO  35 -10.308  14.543   4.862
  257   2HB   PRO  35          1HB       PRO  35  -9.257  15.963   4.919
  258   1HG   PRO  35          2HG       PRO  35 -11.429  15.291   2.971
  259   2HG   PRO  35          1HG       PRO  35 -11.070  16.841   3.754
  260   1HD   PRO  35          2HD       PRO  35 -10.313  16.252   1.207
  261   2HD   PRO  35          1HD       PRO  35  -9.399  17.350   2.260
  262    H    SER  36           H        SER  36  -9.469  13.533   1.175
  263    HA   SER  36           HA       SER  36  -9.835  10.840   2.302
  264   1HB   SER  36          2HB       SER  36 -11.645  12.224   0.306
  265   2HB   SER  36          1HB       SER  36 -11.806  10.552   0.840
  266    HG   SER  36           HG       SER  36 -13.030  11.424   2.317
  267    H    ASP  37           H        ASP  37  -7.470  11.522   1.129
  268    HA   ASP  37           HA       ASP  37  -7.530   9.863  -1.274
  269   1HB   ASP  37          2HB       ASP  37  -7.410  12.574  -1.563
  270   2HB   ASP  37          1HB       ASP  37  -5.695  12.158  -1.492
  271    H    PHE  38           H        PHE  38  -6.018   8.361  -1.195
  272    HA   PHE  38           HA       PHE  38  -3.476   8.881   0.143
  273   1HB   PHE  38          2HB       PHE  38  -5.375   6.638   0.848
  274   2HB   PHE  38          1HB       PHE  38  -3.655   6.593   1.248
  275    HD1  PHE  38           1HD      PHE  38  -2.941   7.457   3.262
  276    HD2  PHE  38           2HD      PHE  38  -6.678   8.729   1.673
  277    HE1  PHE  38           1HE      PHE  38  -3.391   8.710   5.331
  278    HE2  PHE  38           2HE      PHE  38  -7.133   9.987   3.737
  279    HZ   PHE  38           HZ       PHE  38  -5.489   9.978   5.571
  280    H    SER  39           H        SER  39  -1.764   7.495  -0.556
  281    HA   SER  39           HA       SER  39  -2.404   5.816  -2.895
  282   1HB   SER  39          2HB       SER  39  -1.060   8.246  -3.010
  283   2HB   SER  39          1HB       SER  39   0.228   7.037  -3.032
  284    HG   SER  39           HG       SER  39  -0.293   7.077  -5.102
  285    H    VAL  40           H        VAL  40  -1.225   3.915  -3.119
  286    HA   VAL  40           HA       VAL  40   1.055   3.514  -1.384
  287    HB   VAL  40           HB       VAL  40  -0.565   2.744   0.130
  288   1HG1  VAL  40          1HG1      VAL  40  -2.003   0.671  -0.882
  289   2HG1  VAL  40          2HG1      VAL  40  -1.944   1.779  -2.253
  290   3HG1  VAL  40          3HG1      VAL  40  -2.588   2.325  -0.705
  291   1HG2  VAL  40          1HG2      VAL  40   0.735   1.026   0.614
  292   2HG2  VAL  40          2HG2      VAL  40   1.262   0.919  -1.057
  293   3HG2  VAL  40          3HG2      VAL  40  -0.171   0.047  -0.530
  294    H    SER  41           H        SER  41   2.581   2.232  -2.201
  295    HA   SER  41           HA       SER  41   1.963   0.765  -4.688
  296   1HB   SER  41          2HB       SER  41   4.715   1.806  -4.287
  297   2HB   SER  41          1HB       SER  41   3.766   1.660  -5.766
  298    HG   SER  41           HG       SER  41   4.183   3.857  -4.808
  299    H    LEU  42           H        LEU  42   2.772  -1.279  -4.952
  300    HA   LEU  42           HA       LEU  42   4.478  -2.331  -2.794
  301   1HB   LEU  42          2HB       LEU  42   2.120  -3.187  -2.737
  302   2HB   LEU  42          1HB       LEU  42   2.428  -3.968  -4.269
  303    HG   LEU  42           HG       LEU  42   4.121  -5.367  -3.271
  304   1HD1  LEU  42          1HD1      LEU  42   4.168  -3.302  -1.307
  305   2HD1  LEU  42          2HD1      LEU  42   5.279  -4.649  -1.515
  306   3HD1  LEU  42          3HD1      LEU  42   3.846  -4.837  -0.509
  307   1HD2  LEU  42          1HD2      LEU  42   1.429  -5.532  -2.706
  308   2HD2  LEU  42          2HD2      LEU  42   2.193  -5.729  -1.129
  309   3HD2  LEU  42          3HD2      LEU  42   2.631  -6.795  -2.457
  310    H    LYS  43           H        LYS  43   5.725  -4.199  -3.289
  311    HA   LYS  43           HA       LYS  43   6.638  -4.265  -6.078
  312   1HB   LYS  43          2HB       LYS  43   8.119  -4.773  -3.494
  313   2HB   LYS  43          1HB       LYS  43   8.795  -5.071  -5.089
  314   1HG   LYS  43          2HG       LYS  43   7.766  -2.428  -5.033
  315   2HG   LYS  43          1HG       LYS  43   8.764  -2.675  -3.601
  316   1HD   LYS  43          2HD       LYS  43   9.912  -3.787  -6.034
  317   2HD   LYS  43          1HD       LYS  43   9.685  -2.037  -6.098
  318   1HE   LYS  43          2HE       LYS  43  10.781  -1.976  -3.821
  319   2HE   LYS  43          1HE       LYS  43  11.251  -3.637  -4.102
  320   1HZ   LYS  43          1HZ       LYS  43  12.871  -1.745  -4.743
  321   2HZ   LYS  43          2HZ       LYS  43  11.899  -1.589  -6.114
  322   3HZ   LYS  43          3HZ       LYS  43  12.682  -3.047  -5.791
  323    H    ALA  44           H        ALA  44   8.085  -6.522  -6.144
  324    HA   ALA  44           HA       ALA  44   7.080  -8.800  -4.886
  325   1HB   ALA  44          1HB       ALA  44   4.972  -8.370  -5.960
  326   2HB   ALA  44          2HB       ALA  44   5.718  -9.770  -6.728
  327   3HB   ALA  44          3HB       ALA  44   5.758  -8.200  -7.530
  328    H    SER  45           H        SER  45   7.389 -10.797  -6.626
  329    HA   SER  45           HA       SER  45  10.160 -10.845  -7.118
  330   1HB   SER  45          2HB       SER  45   8.846 -12.814  -8.721
  331   2HB   SER  45          1HB       SER  45   9.724 -13.041  -7.212
  332    HG   SER  45           HG       SER  45   7.843 -12.773  -6.083
  333    H    GLY  46           H        GLY  46  10.460  -8.914  -8.371
  334   1HA   GLY  46          2HA       GLY  46  11.096  -8.024 -10.408
  335   2HA   GLY  46          1HA       GLY  46  10.422  -9.437 -11.210
  336    H    LYS  47           H        LYS  47   8.014  -8.483  -9.283
  337    HA   LYS  47           HA       LYS  47   6.813  -6.791 -11.352
  338   1HB   LYS  47          2HB       LYS  47   5.881  -9.058  -9.781
  339   2HB   LYS  47          1HB       LYS  47   4.787  -7.693  -9.682
  340   1HG   LYS  47          2HG       LYS  47   5.680  -9.161 -12.146
  341   2HG   LYS  47          1HG       LYS  47   4.055  -9.077 -11.466
  342   1HD   LYS  47          2HD       LYS  47   3.627  -7.294 -12.722
  343   2HD   LYS  47          1HD       LYS  47   4.937  -6.421 -11.929
  344   1HE   LYS  47          2HE       LYS  47   5.757  -8.351 -13.996
  345   2HE   LYS  47          1HE       LYS  47   4.855  -6.952 -14.576
  346   1HZ   LYS  47          1HZ       LYS  47   6.562  -5.716 -13.020
  347   2HZ   LYS  47          2HZ       LYS  47   6.945  -6.108 -14.620
  348   3HZ   LYS  47          3HZ       LYS  47   7.506  -7.080 -13.354
  349    H    ASN  48           H        ASN  48   5.187  -5.194 -10.524
  350    HA   ASN  48           HA       ASN  48   5.561  -4.305  -7.789
  351   1HB   ASN  48          2HB       ASN  48   5.932  -1.896  -8.791
  352   2HB   ASN  48          1HB       ASN  48   7.296  -2.984  -8.537
  353   1HD2  ASN  48          1HD2      ASN  48   6.126  -0.828 -10.603
  354   2HD2  ASN  48          2HD2      ASN  48   6.731  -1.446 -12.099
  355    H    LYS  49           H        LYS  49   3.511  -4.192  -7.145
  356    HA   LYS  49           HA       LYS  49   1.412  -3.398  -8.975
  357   1HB   LYS  49          2HB       LYS  49   1.498  -4.454  -6.166
  358   2HB   LYS  49          1HB       LYS  49   0.016  -3.774  -6.820
  359   1HG   LYS  49          2HG       LYS  49   0.167  -6.233  -6.975
  360   2HG   LYS  49          1HG       LYS  49  -0.079  -5.438  -8.528
  361   1HD   LYS  49          2HD       LYS  49   2.729  -5.902  -7.769
  362   2HD   LYS  49          1HD       LYS  49   1.775  -7.356  -8.053
  363   1HE   LYS  49          2HE       LYS  49   1.805  -5.062  -9.993
  364   2HE   LYS  49          1HE       LYS  49   3.003  -6.358 -10.052
  365   1HZ   LYS  49          1HZ       LYS  49   0.830  -7.820  -9.993
  366   2HZ   LYS  49          2HZ       LYS  49   1.442  -7.205 -11.445
  367   3HZ   LYS  49          3HZ       LYS  49   0.147  -6.432 -10.679
  368    H    HIS  50           H        HIS  50   1.442  -1.232  -9.351
  369    HA   HIS  50           HA       HIS  50   1.584   0.590  -7.053
  370   1HB   HIS  50          2HB       HIS  50   2.822   0.721  -9.506
  371   2HB   HIS  50          1HB       HIS  50   1.440   1.788  -9.727
  372    HD1  HIS  50           1HD      HIS  50   1.225   3.687  -7.742
  373    HD2  HIS  50           2HD      HIS  50   4.941   1.925  -8.329
  374    HE1  HIS  50           1HE      HIS  50   2.882   5.242  -6.667
  375    HE2  HIS  50           2HE      HIS  50   5.133   4.213  -7.138
  376    H    PHE  51           H        PHE  51  -0.228   1.457  -6.280
  377    HA   PHE  51           HA       PHE  51  -2.443   2.040  -8.071
  378   1HB   PHE  51          2HB       PHE  51  -2.566   0.026  -5.850
  379   2HB   PHE  51          1HB       PHE  51  -4.004   0.928  -6.315
  380    HD1  PHE  51           1HD      PHE  51  -3.781   1.086  -9.204
  381    HD2  PHE  51           2HD      PHE  51  -2.871  -2.140  -6.581
  382    HE1  PHE  51           1HE      PHE  51  -4.191  -0.510 -11.031
  383    HE2  PHE  51           2HE      PHE  51  -3.278  -3.742  -8.404
  384    HZ   PHE  51           HZ       PHE  51  -3.939  -2.927 -10.632
  385    H    LYS  52           H        LYS  52  -4.070   3.403  -7.133
  386    HA   LYS  52           HA       LYS  52  -3.051   4.954  -4.854
  387   1HB   LYS  52          2HB       LYS  52  -4.347   6.863  -5.760
  388   2HB   LYS  52          1HB       LYS  52  -3.058   6.321  -6.816
  389   1HG   LYS  52          2HG       LYS  52  -5.862   5.349  -7.197
  390   2HG   LYS  52          1HG       LYS  52  -5.345   6.911  -7.833
  391   1HD   LYS  52          2HD       LYS  52  -3.328   5.247  -8.655
  392   2HD   LYS  52          1HD       LYS  52  -4.749   4.209  -8.778
  393   1HE   LYS  52          2HE       LYS  52  -4.853   6.986  -9.868
  394   2HE   LYS  52          1HE       LYS  52  -4.035   5.723 -10.787
  395   1HZ   LYS  52          1HZ       LYS  52  -5.967   4.795 -11.357
  396   2HZ   LYS  52          2HZ       LYS  52  -6.683   6.250 -10.877
  397   3HZ   LYS  52          3HZ       LYS  52  -6.625   4.943  -9.805
  398    H    VAL  53           H        VAL  53  -4.324   5.400  -3.189
  399    HA   VAL  53           HA       VAL  53  -6.842   3.931  -3.020
  400    HB   VAL  53           HB       VAL  53  -5.320   5.341  -0.821
  401   1HG1  VAL  53          1HG1      VAL  53  -7.387   5.071   0.115
  402   2HG1  VAL  53          2HG1      VAL  53  -6.678   3.503   0.495
  403   3HG1  VAL  53          3HG1      VAL  53  -7.775   3.665  -0.874
  404   1HG2  VAL  53          1HG2      VAL  53  -3.837   3.695  -1.418
  405   2HG2  VAL  53          2HG2      VAL  53  -5.105   2.602  -1.968
  406   3HG2  VAL  53          3HG2      VAL  53  -4.833   2.838  -0.242
  407    H    GLN  54           H        GLN  54  -8.576   5.038  -3.671
  408    HA   GLN  54           HA       GLN  54  -8.860   7.837  -2.787
  409   1HB   GLN  54          2HB       GLN  54  -8.490   7.403  -5.303
  410   2HB   GLN  54          1HB       GLN  54 -10.125   6.753  -5.293
  411   1HG   GLN  54          2HG       GLN  54 -10.618   8.882  -5.853
  412   2HG   GLN  54          1HG       GLN  54 -10.626   9.070  -4.100
  413   1HE2  GLN  54          1HE2      GLN  54 -10.175  11.286  -4.378
  414   2HE2  GLN  54          2HE2      GLN  54  -8.581  11.833  -4.759
  415    H    LEU  55           H        LEU  55 -10.889   8.492  -2.069
  416    HA   LEU  55           HA       LEU  55 -12.565   6.330  -1.146
  417   1HB   LEU  55          2HB       LEU  55 -11.958   9.001  -0.313
  418   2HB   LEU  55          1HB       LEU  55 -13.702   8.821  -0.461
  419    HG   LEU  55           HG       LEU  55 -12.312   6.646   0.978
  420   1HD1  LEU  55          1HD1      LEU  55 -11.091   8.639   1.757
  421   2HD1  LEU  55          2HD1      LEU  55 -12.065   7.895   3.026
  422   3HD1  LEU  55          3HD1      LEU  55 -12.626   9.367   2.232
  423   1HD2  LEU  55          1HD2      LEU  55 -14.579   8.103   2.155
  424   2HD2  LEU  55          2HD2      LEU  55 -14.322   6.371   1.948
  425   3HD2  LEU  55          3HD2      LEU  55 -14.895   7.345   0.594
  426    H    VAL  56           H        VAL  56 -14.163   5.567  -2.330
  427    HA   VAL  56           HA       VAL  56 -15.536   7.354  -4.222
  428    HB   VAL  56           HB       VAL  56 -14.388   4.820  -4.616
  429   1HG1  VAL  56          1HG1      VAL  56 -16.422   3.860  -3.630
  430   2HG1  VAL  56          2HG1      VAL  56 -16.241   3.441  -5.333
  431   3HG1  VAL  56          3HG1      VAL  56 -17.387   4.691  -4.850
  432   1HG2  VAL  56          1HG2      VAL  56 -15.778   5.187  -6.872
  433   2HG2  VAL  56          2HG2      VAL  56 -14.327   6.108  -6.479
  434   3HG2  VAL  56          3HG2      VAL  56 -15.919   6.805  -6.185
  435    H    ASP  57           H        ASP  57 -17.704   7.586  -4.140
  436    HA   ASP  57           HA       ASP  57 -19.679   7.842  -2.981
  437   1HB   ASP  57          2HB       ASP  57 -21.094   6.033  -3.410
  438   2HB   ASP  57          1HB       ASP  57 -19.817   5.852  -4.611
  439    H    ASN  58           H        ASN  58 -18.100   8.273  -1.015
  440    HA   ASN  58           HA       ASN  58 -17.800   8.184   1.229
  441   1HB   ASN  58          2HB       ASN  58 -19.709   8.031   2.450
  442   2HB   ASN  58          1HB       ASN  58 -20.461   7.995   0.863
  443   1HD2  ASN  58          1HD2      ASN  58 -19.708   6.220   3.719
  444   2HD2  ASN  58          2HD2      ASN  58 -20.641   4.813   3.350
  445    H    VAL  59           H        VAL  59 -16.783   6.041  -0.528
  446    HA   VAL  59           HA       VAL  59 -16.214   4.055   1.553
  447    HB   VAL  59           HB       VAL  59 -16.466   3.370  -1.370
  448   1HG1  VAL  59          1HG1      VAL  59 -14.999   1.856  -0.324
  449   2HG1  VAL  59          2HG1      VAL  59 -16.560   1.035  -0.378
  450   3HG1  VAL  59          3HG1      VAL  59 -16.001   1.767   1.125
  451   1HG2  VAL  59          1HG2      VAL  59 -18.482   3.451   0.787
  452   2HG2  VAL  59          2HG2      VAL  59 -18.485   2.021  -0.244
  453   3HG2  VAL  59          3HG2      VAL  59 -18.678   3.623  -0.957
  454    H    TYR  60           H        TYR  60 -14.144   2.910   1.211
  455    HA   TYR  60           HA       TYR  60 -12.178   4.723  -0.013
  456   1HB   TYR  60          2HB       TYR  60 -11.413   2.472   1.808
  457   2HB   TYR  60          1HB       TYR  60 -10.617   4.026   1.561
  458    HD1  TYR  60           1HD      TYR  60 -11.426   6.033   2.712
  459    HD2  TYR  60           2HD      TYR  60 -13.226   2.237   3.385
  460    HE1  TYR  60           1HE      TYR  60 -12.519   6.915   4.731
  461    HE2  TYR  60           2HE      TYR  60 -14.323   3.108   5.405
  462    HH   TYR  60           HH       TYR  60 -14.988   5.198   6.385
  463    H    CYS  61           H        CYS  61 -11.149   4.096  -1.816
  464    HA   CYS  61           HA       CYS  61 -11.216   1.236  -2.514
  465   1HB   CYS  61          2HB       CYS  61 -11.770   1.699  -4.698
  466   2HB   CYS  61          1HB       CYS  61 -12.602   3.015  -3.880
  467    HG   CYS  61           HG       CYS  61 -10.082   3.323  -5.647
  468    H    ILE  62           H        ILE  62  -9.451   0.381  -3.681
  469    HA   ILE  62           HA       ILE  62  -7.006   1.999  -3.778
  470    HB   ILE  62           HB       ILE  62  -7.121  -0.765  -2.561
  471   1HG1  ILE  62          2HG1      ILE  62  -6.885   1.986  -1.381
  472   2HG1  ILE  62          1HG1      ILE  62  -7.950   0.665  -0.898
  473   1HG2  ILE  62          1HG2      ILE  62  -5.010   0.411  -3.896
  474   2HG2  ILE  62          2HG2      ILE  62  -4.900  -0.916  -2.741
  475   3HG2  ILE  62          3HG2      ILE  62  -4.660   0.744  -2.201
  476   1HD1  ILE  62          1HD1      ILE  62  -6.298   0.913   0.781
  477   2HD1  ILE  62          2HD1      ILE  62  -4.996   0.917  -0.409
  478   3HD1  ILE  62          3HD1      ILE  62  -5.915  -0.558  -0.114
  479    H    GLY  63           H        GLY  63  -6.209   1.877  -5.765
  480   1HA   GLY  63          2HA       GLY  63  -5.622   1.063  -7.833
  481   2HA   GLY  63          1HA       GLY  63  -5.684  -0.543  -7.113
  482    H    GLN  64           H        GLN  64  -7.809  -1.580  -6.965
  483    HA   GLN  64           HA       GLN  64  -9.908  -0.534  -8.669
  484   1HB   GLN  64          2HB       GLN  64  -8.360  -3.033  -9.345
  485   2HB   GLN  64          1HB       GLN  64  -9.968  -2.712  -9.979
  486   1HG   GLN  64          2HG       GLN  64  -7.599  -0.898 -10.364
  487   2HG   GLN  64          1HG       GLN  64  -8.127  -2.116 -11.525
  488   1HE2  GLN  64          1HE2      GLN  64  -7.927   0.714 -11.933
  489   2HE2  GLN  64          2HE2      GLN  64  -9.513   1.284 -12.315
  490    H    ARG  65           H        ARG  65  -9.660  -1.167  -5.861
  491    HA   ARG  65           HA       ARG  65 -11.851  -3.109  -5.668
  492   1HB   ARG  65          2HB       ARG  65  -9.297  -3.130  -4.066
  493   2HB   ARG  65          1HB       ARG  65 -10.758  -3.940  -3.519
  494   1HG   ARG  65          2HG       ARG  65  -9.888  -4.575  -6.261
  495   2HG   ARG  65          1HG       ARG  65  -8.835  -5.134  -4.960
  496   1HD   ARG  65          2HD       ARG  65 -10.400  -6.873  -5.432
  497   2HD   ARG  65          1HD       ARG  65 -10.838  -6.159  -3.881
  498    HE   ARG  65           HE       ARG  65 -12.812  -5.444  -4.800
  499   1HH1  ARG  65          1HH1      ARG  65 -10.653  -6.421  -7.362
  500   2HH1  ARG  65          2HH1      ARG  65 -11.864  -6.309  -8.594
  501   1HH2  ARG  65          1HH2      ARG  65 -14.405  -5.295  -6.420
  502   2HH2  ARG  65          2HH2      ARG  65 -13.994  -5.670  -8.060
  503    H    ARG  66           H        ARG  66 -12.939  -2.992  -3.486
  504    HA   ARG  66           HA       ARG  66 -12.932  -0.216  -2.517
  505   1HB   ARG  66          2HB       ARG  66 -15.234  -2.165  -2.684
  506   2HB   ARG  66          1HB       ARG  66 -15.320  -0.548  -2.011
  507   1HG   ARG  66          2HG       ARG  66 -14.959  -1.371  -4.864
  508   2HG   ARG  66          1HG       ARG  66 -16.197  -0.332  -4.159
  509   1HD   ARG  66          2HD       ARG  66 -14.543   1.401  -3.750
  510   2HD   ARG  66          1HD       ARG  66 -13.263   0.358  -4.371
  511    HE   ARG  66           HE       ARG  66 -15.039   1.965  -5.897
  512   1HH1  ARG  66          1HH1      ARG  66 -13.338  -1.082  -5.946
  513   2HH1  ARG  66          2HH1      ARG  66 -13.279  -1.164  -7.674
  514   1HH2  ARG  66          1HH2      ARG  66 -14.961   1.859  -8.170
  515   2HH2  ARG  66          2HH2      ARG  66 -14.197   0.506  -8.936
  516    H    PHE  67           H        PHE  67 -13.193   0.153  -0.307
  517    HA   PHE  67           HA       PHE  67 -12.983  -2.181   1.464
  518   1HB   PHE  67          2HB       PHE  67 -11.299   0.300   1.800
  519   2HB   PHE  67          1HB       PHE  67 -11.179  -1.211   2.691
  520    HD1  PHE  67           1HD      PHE  67  -9.327  -2.431   2.227
  521    HD2  PHE  67           2HD      PHE  67 -11.111  -0.177  -0.908
  522    HE1  PHE  67           1HE      PHE  67  -7.576  -3.192   0.679
  523    HE2  PHE  67           2HE      PHE  67  -9.372  -0.943  -2.455
  524    HZ   PHE  67           HZ       PHE  67  -7.600  -2.443  -1.667
  525    H    HIS  68           H        HIS  68 -13.447  -1.712   3.710
  526    HA   HIS  68           HA       HIS  68 -15.367   0.495   4.004
  527   1HB   HIS  68          2HB       HIS  68 -16.221  -1.787   4.485
  528   2HB   HIS  68          1HB       HIS  68 -14.984  -1.973   5.724
  529    HD1  HIS  68           1HD      HIS  68 -15.528  -1.109   8.014
  530    HD2  HIS  68           2HD      HIS  68 -18.205   0.222   5.128
  531    HE1  HIS  68           1HE      HIS  68 -17.370   0.041   9.285
  532    HE2  HIS  68           2HE      HIS  68 -19.013   0.777   7.522
  533    H    THR  69           H        THR  69 -12.338   0.396   4.149
  534    HA   THR  69           HA       THR  69 -12.048   2.046   6.507
  535    HB   THR  69           HB       THR  69 -11.627  -0.249   7.307
  536    HG1  THR  69           1HG      THR  69  -9.106   0.982   7.223
  537   1HG2  THR  69          1HG2      THR  69 -10.770  -1.588   5.705
  538   2HG2  THR  69          2HG2      THR  69  -9.272  -1.116   6.507
  539   3HG2  THR  69          3HG2      THR  69  -9.764  -0.316   5.014
  540    H    MET  70           H        MET  70  -9.539   2.745   6.559
  541    HA   MET  70           HA       MET  70  -8.213   2.822   4.048
  542   1HB   MET  70          2HB       MET  70  -9.821   4.411   3.363
  543   2HB   MET  70          1HB       MET  70  -9.819   5.214   4.926
  544   1HG   MET  70          2HG       MET  70  -7.283   5.189   3.392
  545   2HG   MET  70          1HG       MET  70  -8.589   6.218   2.807
  546   1HE   MET  70          1HE       MET  70  -9.297   8.261   3.644
  547   2HE   MET  70          2HE       MET  70  -8.818   9.080   5.131
  548   3HE   MET  70          3HE       MET  70  -9.975   7.751   5.191
  549    H    ASP  71           H        ASP  71  -6.188   2.794   4.599
  550    HA   ASP  71           HA       ASP  71  -4.177   3.479   5.492
  551   1HB   ASP  71          2HB       ASP  71  -5.742   5.624   6.156
  552   2HB   ASP  71          1HB       ASP  71  -5.239   5.043   7.743
  553    H    GLU  72           H        GLU  72  -6.741   1.957   6.958
  554    HA   GLU  72           HA       GLU  72  -5.077   0.982   9.182
  555   1HB   GLU  72          2HB       GLU  72  -7.856   1.737   9.024
  556   2HB   GLU  72          1HB       GLU  72  -7.726   0.047   9.491
  557   1HG   GLU  72          2HG       GLU  72  -7.521   0.847  11.558
  558   2HG   GLU  72          1HG       GLU  72  -5.856   1.192  11.094
  559    H    LEU  73           H        LEU  73  -6.546   0.237   6.206
  560    HA   LEU  73           HA       LEU  73  -6.699  -2.595   6.553
  561   1HB   LEU  73          2HB       LEU  73  -7.167  -2.684   4.175
  562   2HB   LEU  73          1HB       LEU  73  -8.127  -1.441   4.942
  563    HG   LEU  73           HG       LEU  73  -7.441   0.039   3.424
  564   1HD1  LEU  73          1HD1      LEU  73  -5.315   0.967   3.387
  565   2HD1  LEU  73          2HD1      LEU  73  -4.540  -0.551   3.826
  566   3HD1  LEU  73          3HD1      LEU  73  -5.458   0.347   5.026
  567   1HD2  LEU  73          1HD2      LEU  73  -6.667  -2.413   2.321
  568   2HD2  LEU  73          2HD2      LEU  73  -5.350  -1.286   1.997
  569   3HD2  LEU  73          3HD2      LEU  73  -6.991  -0.896   1.486
  570    H    VAL  74           H        VAL  74  -4.071  -0.601   6.246
  571    HA   VAL  74           HA       VAL  74  -2.555  -2.384   4.561
  572    HB   VAL  74           HB       VAL  74  -1.126  -0.383   6.201
  573   1HG1  VAL  74          1HG1      VAL  74  -0.011   0.015   4.020
  574   2HG1  VAL  74          2HG1      VAL  74  -1.109  -1.150   3.284
  575   3HG1  VAL  74          3HG1      VAL  74   0.035  -1.675   4.517
  576   1HG2  VAL  74          1HG2      VAL  74  -3.128   0.897   5.698
  577   2HG2  VAL  74          2HG2      VAL  74  -3.016   0.445   3.999
  578   3HG2  VAL  74          3HG2      VAL  74  -1.788   1.481   4.715
  579    H    GLU  75           H        GLU  75  -3.464  -2.297   7.766
  580    HA   GLU  75           HA       GLU  75  -1.082  -3.786   8.634
  581   1HB   GLU  75          2HB       GLU  75  -2.229  -3.597  10.932
  582   2HB   GLU  75          1HB       GLU  75  -1.513  -2.149  10.240
  583   1HG   GLU  75          2HG       GLU  75  -3.631  -1.291   9.623
  584   2HG   GLU  75          1HG       GLU  75  -4.428  -2.822   9.986
  585    H    HIS  76           H        HIS  76  -4.327  -4.205   7.661
  586    HA   HIS  76           HA       HIS  76  -4.170  -7.028   8.450
  587   1HB   HIS  76          2HB       HIS  76  -5.806  -5.417   9.784
  588   2HB   HIS  76          1HB       HIS  76  -6.848  -5.725   8.398
  589    HD1  HIS  76           1HD      HIS  76  -8.441  -6.979  10.100
  590    HD2  HIS  76           2HD      HIS  76  -4.729  -8.746   9.498
  591    HE1  HIS  76           1HE      HIS  76  -8.653  -9.315  11.007
  592    HE2  HIS  76           2HE      HIS  76  -6.425 -10.396  10.541
  593    H    TYR  77           H        TYR  77  -4.442  -4.844   5.929
  594    HA   TYR  77           HA       TYR  77  -5.312  -4.917   3.817
  595   1HB   TYR  77          2HB       TYR  77  -4.557  -6.971   2.623
  596   2HB   TYR  77          1HB       TYR  77  -3.299  -6.154   3.547
  597    HD1  TYR  77           1HD      TYR  77  -2.501  -7.155   5.676
  598    HD2  TYR  77           2HD      TYR  77  -5.242  -9.195   3.141
  599    HE1  TYR  77           1HE      TYR  77  -1.995  -9.265   6.835
  600    HE2  TYR  77           2HE      TYR  77  -4.745 -11.309   4.294
  601    HH   TYR  77           HH       TYR  77  -3.863 -12.111   6.376
  602    H    LYS  78           H        LYS  78  -7.520  -4.869   4.868
  603    HA   LYS  78           HA       LYS  78  -9.168  -7.077   5.152
  604   1HB   LYS  78          2HB       LYS  78 -10.075  -4.418   4.044
  605   2HB   LYS  78          1HB       LYS  78 -11.024  -5.572   4.968
  606   1HG   LYS  78          2HG       LYS  78  -8.594  -4.246   6.133
  607   2HG   LYS  78          1HG       LYS  78 -10.182  -3.478   6.158
  608   1HD   LYS  78          2HD       LYS  78 -10.859  -5.890   7.100
  609   2HD   LYS  78          1HD       LYS  78  -9.184  -5.829   7.652
  610   1HE   LYS  78          2HE       LYS  78 -10.752  -3.383   8.118
  611   2HE   LYS  78          1HE       LYS  78 -11.288  -4.804   9.020
  612   1HZ   LYS  78          1HZ       LYS  78  -9.658  -4.397  10.443
  613   2HZ   LYS  78          2HZ       LYS  78  -9.041  -3.149   9.483
  614   3HZ   LYS  78          3HZ       LYS  78  -8.529  -4.740   9.230
  615    H    LYS  79           H        LYS  79  -9.654  -4.917   2.378
  616    HA   LYS  79           HA       LYS  79  -9.698  -7.277   0.621
  617   1HB   LYS  79          2HB       LYS  79 -11.615  -4.935   0.636
  618   2HB   LYS  79          1HB       LYS  79 -11.498  -6.087  -0.687
  619   1HG   LYS  79          2HG       LYS  79 -13.095  -7.213   0.379
  620   2HG   LYS  79          1HG       LYS  79 -11.818  -7.720   1.486
  621   1HD   LYS  79          2HD       LYS  79 -12.346  -5.535   2.746
  622   2HD   LYS  79          1HD       LYS  79 -13.848  -5.540   1.821
  623   1HE   LYS  79          2HE       LYS  79 -12.872  -7.553   3.825
  624   2HE   LYS  79          1HE       LYS  79 -14.363  -6.612   3.852
  625   1HZ   LYS  79          1HZ       LYS  79 -15.201  -8.550   3.096
  626   2HZ   LYS  79          2HZ       LYS  79 -13.742  -9.066   2.413
  627   3HZ   LYS  79          3HZ       LYS  79 -14.707  -7.942   1.596
  628    H    ALA  80           H        ALA  80  -7.417  -6.343   0.651
  629    HA   ALA  80           HA       ALA  80  -7.098  -4.070  -1.149
  630   1HB   ALA  80          1HB       ALA  80  -5.757  -4.859   1.169
  631   2HB   ALA  80          2HB       ALA  80  -5.357  -3.516   0.100
  632   3HB   ALA  80          3HB       ALA  80  -4.615  -5.096  -0.153
  633    HA   PRO  81           HA       PRO  81  -5.877  -6.284  -4.726
  634   1HB   PRO  81          2HB       PRO  81  -3.570  -4.892  -5.400
  635   2HB   PRO  81          1HB       PRO  81  -5.214  -4.420  -5.843
  636   1HG   PRO  81          2HG       PRO  81  -3.499  -3.449  -3.599
  637   2HG   PRO  81          1HG       PRO  81  -4.612  -2.539  -4.639
  638   1HD   PRO  81          2HD       PRO  81  -5.288  -3.211  -2.139
  639   2HD   PRO  81          1HD       PRO  81  -6.485  -3.232  -3.452
  640    H    ILE  82           H        ILE  82  -4.293  -6.565  -1.884
  641    HA   ILE  82           HA       ILE  82  -1.807  -7.609  -2.502
  642    HB   ILE  82           HB       ILE  82  -3.680  -8.024  -0.188
  643   1HG1  ILE  82          2HG1      ILE  82  -0.929  -7.162   0.300
  644   2HG1  ILE  82          1HG1      ILE  82  -1.807  -6.073  -0.765
  645   1HG2  ILE  82          1HG2      ILE  82  -2.756 -10.054   0.078
  646   2HG2  ILE  82          2HG2      ILE  82  -1.401  -9.129   0.722
  647   3HG2  ILE  82          3HG2      ILE  82  -1.376  -9.680  -0.948
  648   1HD1  ILE  82          1HD1      ILE  82  -2.356  -5.179   1.228
  649   2HD1  ILE  82          2HD1      ILE  82  -2.211  -6.713   2.082
  650   3HD1  ILE  82          3HD1      ILE  82  -3.643  -6.372   1.111
  651    H    PHE  83           H        PHE  83  -1.172  -9.734  -2.872
  652    HA   PHE  83           HA       PHE  83  -3.267 -11.742  -3.311
  653   1HB   PHE  83          2HB       PHE  83  -1.711 -10.441  -5.376
  654   2HB   PHE  83          1HB       PHE  83  -1.447 -12.187  -5.390
  655    HD1  PHE  83           1HD      PHE  83  -3.820 -13.492  -4.944
  656    HD2  PHE  83           2HD      PHE  83  -3.306  -9.713  -6.833
  657    HE1  PHE  83           1HE      PHE  83  -5.953 -13.800  -6.130
  658    HE2  PHE  83           2HE      PHE  83  -5.439 -10.014  -8.022
  659    HZ   PHE  83           HZ       PHE  83  -6.766 -12.058  -7.671
  660    H    THR  84           H        THR  84  -2.495 -13.953  -3.380
  661    HA   THR  84           HA       THR  84   0.172 -14.285  -2.171
  662    HB   THR  84           HB       THR  84  -2.324 -15.824  -1.440
  663    HG1  THR  84           1HG      THR  84  -0.909 -14.247   0.381
  664   1HG2  THR  84          1HG2      THR  84  -0.845 -17.382  -0.824
  665   2HG2  THR  84          2HG2      THR  84  -0.553 -16.304   0.541
  666   3HG2  THR  84          3HG2      THR  84   0.514 -16.258  -0.862
  667    H    SER  85           H        SER  85   1.423 -15.329  -3.584
  668    HA   SER  85           HA       SER  85   0.211 -17.571  -5.070
  669   1HB   SER  85          2HB       SER  85   1.468 -15.266  -6.107
  670   2HB   SER  85          1HB       SER  85   2.590 -16.601  -6.351
  671    HG   SER  85           HG       SER  85   0.545 -16.044  -7.828
  672    H    GLU  86           H        GLU  86   1.810 -19.248  -5.732
  673    HA   GLU  86           HA       GLU  86   3.160 -20.945  -5.013
  674   1HB   GLU  86          2HB       GLU  86   4.651 -18.767  -5.719
  675   2HB   GLU  86          1HB       GLU  86   5.282 -19.116  -4.115
  676   1HG   GLU  86          2HG       GLU  86   6.555 -20.209  -5.909
  677   2HG   GLU  86          1HG       GLU  86   5.850 -21.358  -4.774
  678    H    HIS  87           H        HIS  87   5.271 -20.757  -2.992
  679    HA   HIS  87           HA       HIS  87   3.834 -21.625  -0.755
  680   1HB   HIS  87          2HB       HIS  87   6.620 -21.249  -1.486
  681   2HB   HIS  87          1HB       HIS  87   6.336 -20.874   0.211
  682    HD1  HIS  87           1HD      HIS  87   4.988 -22.877   1.539
  683    HD2  HIS  87           2HD      HIS  87   6.965 -23.889  -1.972
  684    HE1  HIS  87           1HE      HIS  87   5.266 -25.375   1.621
  685    HE2  HIS  87           2HE      HIS  87   6.361 -25.974  -0.568
  686    H    GLY  88           H        GLY  88   5.771 -18.611  -1.055
  687   1HA   GLY  88          2HA       GLY  88   3.794 -17.283   0.647
  688   2HA   GLY  88          1HA       GLY  88   5.444 -17.362   1.246
  689    H    GLU  89           H        GLU  89   4.516 -16.873  -2.132
  690    HA   GLU  89           HA       GLU  89   5.932 -14.309  -2.061
  691   1HB   GLU  89          2HB       GLU  89   6.068 -14.462  -4.449
  692   2HB   GLU  89          1HB       GLU  89   6.503 -16.036  -3.794
  693   1HG   GLU  89          2HG       GLU  89   4.849 -17.036  -4.867
  694   2HG   GLU  89          1HG       GLU  89   3.679 -15.850  -4.277
  695    H    LYS  90           H        LYS  90   3.951 -13.695  -0.769
  696    HA   LYS  90           HA       LYS  90   1.682 -12.952  -2.444
  697   1HB   LYS  90          2HB       LYS  90   1.475 -12.332   0.412
  698   2HB   LYS  90          1HB       LYS  90   0.355 -13.188  -0.639
  699   1HG   LYS  90          2HG       LYS  90   0.899 -14.895   0.734
  700   2HG   LYS  90          1HG       LYS  90   2.225 -15.077  -0.414
  701   1HD   LYS  90          2HD       LYS  90   3.781 -14.299   1.059
  702   2HD   LYS  90          1HD       LYS  90   2.638 -13.222   1.863
  703   1HE   LYS  90          2HE       LYS  90   2.928 -16.199   2.203
  704   2HE   LYS  90          1HE       LYS  90   3.205 -14.943   3.409
  705   1HZ   LYS  90          1HZ       LYS  90   0.758 -16.223   2.636
  706   2HZ   LYS  90          2HZ       LYS  90   0.629 -14.536   2.638
  707   3HZ   LYS  90          3HZ       LYS  90   1.122 -15.347   4.038
  708    H    LEU  91           H        LEU  91   1.022 -10.907  -2.773
  709    HA   LEU  91           HA       LEU  91   2.866  -8.737  -2.271
  710   1HB   LEU  91          2HB       LEU  91   0.096  -8.263  -3.274
  711   2HB   LEU  91          1HB       LEU  91   1.603  -7.518  -3.778
  712    HG   LEU  91           HG       LEU  91   0.967 -10.370  -4.446
  713   1HD1  LEU  91          1HD1      LEU  91  -0.805  -8.682  -5.185
  714   2HD1  LEU  91          2HD1      LEU  91  -0.099  -9.734  -6.412
  715   3HD1  LEU  91          3HD1      LEU  91   0.437  -8.059  -6.269
  716   1HD2  LEU  91          1HD2      LEU  91   2.967  -8.314  -5.194
  717   2HD2  LEU  91          2HD2      LEU  91   2.482  -9.503  -6.404
  718   3HD2  LEU  91          3HD2      LEU  91   3.176 -10.035  -4.872
  719    H    TYR  92           H        TYR  92   2.785  -8.566   0.033
  720    HA   TYR  92           HA       TYR  92   0.168  -8.039   1.218
  721   1HB   TYR  92          2HB       TYR  92   2.782  -8.960   2.204
  722   2HB   TYR  92          1HB       TYR  92   1.829  -7.994   3.324
  723    HD1  TYR  92           1HD      TYR  92  -0.912  -8.914   2.619
  724    HD2  TYR  92           2HD      TYR  92   2.701 -11.103   3.124
  725    HE1  TYR  92           1HE      TYR  92  -2.213 -10.909   3.234
  726    HE2  TYR  92           2HE      TYR  92   1.412 -13.102   3.740
  727    HH   TYR  92           HH       TYR  92  -1.634 -13.603   3.088
  728    H    LEU  93           H        LEU  93  -0.358  -6.212   2.334
  729    HA   LEU  93           HA       LEU  93   1.064  -3.816   1.623
  730   1HB   LEU  93          2HB       LEU  93  -1.537  -4.489   2.868
  731   2HB   LEU  93          1HB       LEU  93  -0.817  -2.977   3.378
  732    HG   LEU  93           HG       LEU  93  -1.337  -3.715   0.498
  733   1HD1  LEU  93          1HD1      LEU  93  -3.357  -3.298   2.106
  734   2HD1  LEU  93          2HD1      LEU  93  -3.309  -2.555   0.507
  735   3HD1  LEU  93          3HD1      LEU  93  -2.875  -1.611   1.932
  736   1HD2  LEU  93          1HD2      LEU  93  -0.464  -1.751  -0.109
  737   2HD2  LEU  93          2HD2      LEU  93   0.427  -1.913   1.401
  738   3HD2  LEU  93          3HD2      LEU  93  -1.029  -0.922   1.334
  739    H    VAL  94           H        VAL  94   2.958  -4.922   2.728
  740    HA   VAL  94           HA       VAL  94   3.211  -5.095   5.497
  741    HB   VAL  94           HB       VAL  94   5.683  -4.955   5.010
  742   1HG1  VAL  94          1HG1      VAL  94   5.020  -7.144   4.934
  743   2HG1  VAL  94          2HG1      VAL  94   5.551  -6.929   3.266
  744   3HG1  VAL  94          3HG1      VAL  94   3.834  -6.854   3.661
  745   1HG2  VAL  94          1HG2      VAL  94   5.030  -3.438   2.942
  746   2HG2  VAL  94          2HG2      VAL  94   5.075  -4.993   2.116
  747   3HG2  VAL  94          3HG2      VAL  94   6.504  -4.404   2.968
  748    H    ARG  95           H        ARG  95   5.757  -3.096   4.736
  749    HA   ARG  95           HA       ARG  95   4.494  -0.569   5.155
  750   1HB   ARG  95          2HB       ARG  95   5.676  -2.003   7.443
  751   2HB   ARG  95          1HB       ARG  95   6.222  -0.329   7.229
  752   1HG   ARG  95          2HG       ARG  95   4.319   0.481   8.013
  753   2HG   ARG  95          1HG       ARG  95   3.356  -0.539   6.941
  754   1HD   ARG  95          2HD       ARG  95   4.383  -1.141   9.700
  755   2HD   ARG  95          1HD       ARG  95   2.717  -1.162   9.115
  756    HE   ARG  95           HE       ARG  95   3.855  -3.097   7.645
  757   1HH1  ARG  95          1HH1      ARG  95   3.902  -2.448  11.076
  758   2HH1  ARG  95          2HH1      ARG  95   4.069  -4.115  11.514
  759   1HH2  ARG  95          1HH2      ARG  95   4.074  -5.290   8.224
  760   2HH2  ARG  95          2HH2      ARG  95   4.166  -5.727   9.897
  761    H    ALA  96           H        ALA  96   6.210   1.096   5.727
  762    HA   ALA  96           HA       ALA  96   8.125   1.086   3.614
  763   1HB   ALA  96          1HB       ALA  96   6.764   2.945   5.204
  764   2HB   ALA  96          2HB       ALA  96   7.861   3.274   3.863
  765   3HB   ALA  96          3HB       ALA  96   8.480   3.202   5.513
  766    H    LEU  97           H        LEU  97  10.228   0.566   3.699
  767    HA   LEU  97           HA       LEU  97  12.280  -0.033   4.468
  768   1HB   LEU  97          2HB       LEU  97  11.460   1.350   7.023
  769   2HB   LEU  97          1HB       LEU  97  13.095   0.936   6.542
  770    HG   LEU  97           HG       LEU  97  11.302   2.990   5.248
  771   1HD1  LEU  97          1HD1      LEU  97  13.567   3.077   7.158
  772   2HD1  LEU  97          2HD1      LEU  97  12.147   4.115   7.031
  773   3HD1  LEU  97          3HD1      LEU  97  13.496   4.327   5.916
  774   1HD2  LEU  97          1HD2      LEU  97  13.687   3.397   4.105
  775   2HD2  LEU  97          2HD2      LEU  97  12.442   2.371   3.394
  776   3HD2  LEU  97          3HD2      LEU  97  13.763   1.647   4.312
  777    H    GLN  98           H        GLN  98  12.911  -2.002   5.045
  778    HA   GLN  98           HA       GLN  98  12.167  -3.240   7.497
  779   1HB   GLN  98          2HB       GLN  98  10.154  -3.475   5.801
  780   2HB   GLN  98          1HB       GLN  98  11.144  -4.772   5.146
  781   1HG   GLN  98          2HG       GLN  98  11.207  -5.312   7.817
  782   2HG   GLN  98          1HG       GLN  98   9.585  -4.654   7.611
  783   1HE2  GLN  98          1HE2      GLN  98   8.106  -5.742   6.320
  784   2HE2  GLN  98          2HE2      GLN  98   8.339  -7.383   5.835
  Start of MODEL    8
    1   1H    ARG   1          1HT       ARG   1   6.898   4.639  14.490
    2   2H    ARG   1          2HT       ARG   1   8.598   4.423  14.383
    3   3H    ARG   1          3HT       ARG   1   7.628   4.319  12.972
    4    HA   ARG   1           HA       ARG   1   7.273   6.531  12.861
    5   1HB   ARG   1          2HB       ARG   1   7.755   8.024  14.828
    6   2HB   ARG   1          1HB       ARG   1   6.439   6.884  15.074
    7   1HG   ARG   1          2HG       ARG   1   7.521   6.601  17.041
    8   2HG   ARG   1          1HG       ARG   1   8.407   5.415  16.080
    9   1HD   ARG   1          2HD       ARG   1  10.137   7.100  15.627
   10   2HD   ARG   1          1HD       ARG   1   9.257   8.258  16.623
   11    HE   ARG   1           HE       ARG   1  10.062   7.215  18.500
   12   1HH1  ARG   1          1HH1      ARG   1  10.636   5.177  15.725
   13   2HH1  ARG   1          2HH1      ARG   1  11.636   4.063  16.594
   14   1HH2  ARG   1          1HH2      ARG   1  11.379   5.753  19.643
   15   2HH2  ARG   1          2HH2      ARG   1  12.057   4.388  18.819
   16    H    GLU   2           H        GLU   2   9.673   4.701  12.660
   17    HA   GLU   2           HA       GLU   2  11.815   6.705  12.838
   18   1HB   GLU   2          2HB       GLU   2  11.922   4.289  13.871
   19   2HB   GLU   2          1HB       GLU   2  12.323   3.821  12.225
   20   1HG   GLU   2          2HG       GLU   2  14.423   4.407  12.558
   21   2HG   GLU   2          1HG       GLU   2  13.919   6.061  12.902
   22    H    TRP   3           H        TRP   3  10.163   4.511  10.643
   23    HA   TRP   3           HA       TRP   3  11.818   5.413   8.412
   24   1HB   TRP   3          2HB       TRP   3   9.573   3.584   7.844
   25   2HB   TRP   3          1HB       TRP   3  11.263   3.496   7.339
   26    HD1  TRP   3           HD       TRP   3  12.934   2.115   8.888
   27    HE1  TRP   3           1HE      TRP   3  12.539   0.408  10.773
   28    HE3  TRP   3           3HE      TRP   3   7.988   3.035   9.790
   29    HZ2  TRP   3           2HZ      TRP   3  10.410  -0.437  12.426
   30    HZ3  TRP   3           3HZ      TRP   3   6.845   1.735  11.540
   31    HH2  TRP   3           HH       TRP   3   8.032   0.036  12.829
   32    H    TYR   4           H        TYR   4   8.304   4.838   8.727
   33    HA   TYR   4           HA       TYR   4   7.884   7.441   7.425
   34   1HB   TYR   4          2HB       TYR   4   6.106   6.533   6.096
   35   2HB   TYR   4          1HB       TYR   4   7.529   5.518   5.874
   36    HD1  TYR   4           1HD      TYR   4   4.079   5.626   6.850
   37    HD2  TYR   4           2HD      TYR   4   7.642   3.320   7.138
   38    HE1  TYR   4           1HE      TYR   4   2.743   3.651   7.450
   39    HE2  TYR   4           2HE      TYR   4   6.317   1.338   7.739
   40    HH   TYR   4           HH       TYR   4   2.901   1.250   7.441
   41    H    TYR   5           H        TYR   5   6.071   8.614   7.999
   42    HA   TYR   5           HA       TYR   5   5.010   8.014  10.640
   43   1HB   TYR   5          2HB       TYR   5   5.559  10.389   9.087
   44   2HB   TYR   5          1HB       TYR   5   3.903  10.424   9.682
   45    HD1  TYR   5           1HD      TYR   5   7.026   9.085  11.229
   46    HD2  TYR   5           2HD      TYR   5   3.868  11.927  11.452
   47    HE1  TYR   5           1HE      TYR   5   7.857   9.826  13.421
   48    HE2  TYR   5           2HE      TYR   5   4.690  12.676  13.646
   49    HH   TYR   5           HH       TYR   5   7.565  12.261  14.771
   50    H    GLY   6           H        GLY   6   3.248   9.716   8.120
   51   1HA   GLY   6          2HA       GLY   6   1.255   7.563   8.037
   52   2HA   GLY   6          1HA       GLY   6   0.746   9.213   8.350
   53    H    ASN   7           H        ASN   7   2.996  10.032   6.511
   54    HA   ASN   7           HA       ASN   7   2.104   9.151   3.896
   55   1HB   ASN   7          2HB       ASN   7   1.660  11.449   3.098
   56   2HB   ASN   7          1HB       ASN   7   0.538  10.980   4.371
   57   1HD2  ASN   7          1HD2      ASN   7   0.980  13.619   3.689
   58   2HD2  ASN   7          2HD2      ASN   7   1.770  14.417   5.002
   59    H    VAL   8           H        VAL   8   4.051   8.561   3.139
   60    HA   VAL   8           HA       VAL   8   6.136  10.581   3.023
   61    HB   VAL   8           HB       VAL   8   7.014   7.880   3.868
   62   1HG1  VAL   8          1HG1      VAL   8   8.355  10.133   3.289
   63   2HG1  VAL   8          2HG1      VAL   8   8.946   8.906   4.409
   64   3HG1  VAL   8          3HG1      VAL   8   8.134  10.345   5.026
   65   1HG2  VAL   8          1HG2      VAL   8   5.197   8.341   5.401
   66   2HG2  VAL   8          2HG2      VAL   8   5.870   9.933   5.751
   67   3HG2  VAL   8          3HG2      VAL   8   6.747   8.479   6.229
   68    H    THR   9           H        THR   9   4.876   7.559   1.910
   69    HA   THR   9           HA       THR   9   6.713   6.638   0.134
   70    HB   THR   9           HB       THR   9   3.722   6.697   0.060
   71    HG1  THR   9           1HG      THR   9   4.428   5.150   1.343
   72   1HG2  THR   9          1HG2      THR   9   5.310   5.273  -2.044
   73   2HG2  THR   9          2HG2      THR   9   4.411   6.758  -2.328
   74   3HG2  THR   9          3HG2      THR   9   3.562   5.292  -1.846
   75    H    ARG  10           H        ARG  10   6.552   6.838  -2.385
   76    HA   ARG  10           HA       ARG  10   6.587   8.099  -4.308
   77   1HB   ARG  10          2HB       ARG  10   5.352   9.980  -4.468
   78   2HB   ARG  10          1HB       ARG  10   4.813   9.576  -2.851
   79   1HG   ARG  10          2HG       ARG  10   6.594  11.064  -1.952
   80   2HG   ARG  10          1HG       ARG  10   6.978  11.529  -3.612
   81   1HD   ARG  10          2HD       ARG  10   4.143  11.729  -2.826
   82   2HD   ARG  10          1HD       ARG  10   5.242  12.857  -2.035
   83    HE   ARG  10           HE       ARG  10   5.569  12.744  -4.885
   84   1HH1  ARG  10          1HH1      ARG  10   3.771  14.203  -2.275
   85   2HH1  ARG  10          2HH1      ARG  10   3.350  15.613  -3.187
   86   1HH2  ARG  10          1HH2      ARG  10   5.016  14.596  -6.087
   87   2HH2  ARG  10          2HH2      ARG  10   4.054  15.836  -5.352
   88    H    HIS  11           H        HIS  11   7.741   9.742  -1.414
   89    HA   HIS  11           HA       HIS  11  10.333  10.238  -2.704
   90   1HB   HIS  11          2HB       HIS  11   8.729  11.893  -1.109
   91   2HB   HIS  11          1HB       HIS  11  10.004  11.348  -0.025
   92    HD1  HIS  11           1HD      HIS  11  12.404  12.150  -0.518
   93    HD2  HIS  11           2HD      HIS  11   9.555  13.600  -3.172
   94    HE1  HIS  11           1HE      HIS  11  13.546  13.994  -1.788
   95    HE2  HIS  11           2HE      HIS  11  11.770  14.928  -3.311
   96    H    GLN  12           H        GLN  12   8.678   8.892   0.082
   97    HA   GLN  12           HA       GLN  12  11.057   7.741   1.205
   98   1HB   GLN  12          2HB       GLN  12   9.796   7.355   3.035
   99   2HB   GLN  12          1HB       GLN  12   8.627   8.408   2.253
  100   1HG   GLN  12          2HG       GLN  12   7.190   6.734   2.542
  101   2HG   GLN  12          1HG       GLN  12   8.017   5.960   1.202
  102   1HE2  GLN  12          1HE2      GLN  12   6.649   4.890   3.616
  103   2HE2  GLN  12          2HE2      GLN  12   7.806   3.843   4.357
  104    H    ALA  13           H        ALA  13   8.361   6.735  -0.851
  105    HA   ALA  13           HA       ALA  13   8.686   3.991  -0.821
  106   1HB   ALA  13          1HB       ALA  13   7.963   5.796  -3.111
  107   2HB   ALA  13          2HB       ALA  13   6.875   4.965  -2.001
  108   3HB   ALA  13          3HB       ALA  13   7.825   4.038  -3.157
  109    H    GLU  14           H        GLU  14  10.712   6.407  -2.329
  110    HA   GLU  14           HA       GLU  14  12.287   4.368  -3.672
  111   1HB   GLU  14          2HB       GLU  14  13.852   6.618  -3.783
  112   2HB   GLU  14          1HB       GLU  14  12.707   6.123  -5.017
  113   1HG   GLU  14          2HG       GLU  14  10.997   7.505  -3.708
  114   2HG   GLU  14          1HG       GLU  14  12.398   8.186  -2.883
  115    H    CYS  15           H        CYS  15  12.366   6.480  -0.877
  116    HA   CYS  15           HA       CYS  15  14.976   5.751  -0.010
  117   1HB   CYS  15          2HB       CYS  15  12.619   6.688   1.640
  118   2HB   CYS  15          1HB       CYS  15  14.294   6.647   2.175
  119    HG   CYS  15           HG       CYS  15  14.652   8.826   1.134
  120    H    ALA  16           H        ALA  16  12.155   3.925  -0.277
  121    HA   ALA  16           HA       ALA  16  13.087   2.037   1.773
  122   1HB   ALA  16          1HB       ALA  16  11.012   2.689   2.559
  123   2HB   ALA  16          2HB       ALA  16  10.622   1.234   1.641
  124   3HB   ALA  16          3HB       ALA  16  10.331   2.825   0.937
  125    H    LEU  17           H        LEU  17  11.880   2.384  -1.504
  126    HA   LEU  17           HA       LEU  17  12.528  -0.453  -1.981
  127   1HB   LEU  17          2HB       LEU  17  10.937   1.130  -3.947
  128   2HB   LEU  17          1HB       LEU  17  10.906  -0.596  -3.614
  129    HG   LEU  17           HG       LEU  17   9.510   1.622  -2.149
  130   1HD1  LEU  17          1HD1      LEU  17   8.430  -1.036  -2.981
  131   2HD1  LEU  17          2HD1      LEU  17   8.566   0.295  -4.130
  132   3HD1  LEU  17          3HD1      LEU  17   7.570   0.475  -2.685
  133   1HD2  LEU  17          1HD2      LEU  17   8.827  -0.525  -0.700
  134   2HD2  LEU  17          2HD2      LEU  17  10.109   0.592  -0.235
  135   3HD2  LEU  17          3HD2      LEU  17  10.510  -0.922  -1.047
  136    H    ASN  18           H        ASN  18  13.605   2.637  -2.414
  137    HA   ASN  18           HA       ASN  18  15.297   3.592  -3.590
  138   1HB   ASN  18          2HB       ASN  18  16.623   1.728  -3.040
  139   2HB   ASN  18          1HB       ASN  18  15.787   0.696  -4.185
  140   1HD2  ASN  18          1HD2      ASN  18  16.200   0.976  -6.422
  141   2HD2  ASN  18          2HD2      ASN  18  17.664   1.711  -6.969
  142    H    GLU  19           H        GLU  19  12.783   1.982  -5.089
  143    HA   GLU  19           HA       GLU  19  12.531   3.705  -7.212
  144   1HB   GLU  19          2HB       GLU  19  14.666   1.955  -7.710
  145   2HB   GLU  19          1HB       GLU  19  13.334   1.338  -8.677
  146   1HG   GLU  19          2HG       GLU  19  14.789   2.943  -9.871
  147   2HG   GLU  19          1HG       GLU  19  13.094   3.424  -9.809
  148    H    ARG  20           H        ARG  20  12.406   0.145  -7.010
  149    HA   ARG  20           HA       ARG  20   9.876  -0.387  -6.332
  150   1HB   ARG  20          2HB       ARG  20   8.694  -0.579  -8.613
  151   2HB   ARG  20          1HB       ARG  20   8.795   1.011  -7.878
  152   1HG   ARG  20          2HG       ARG  20   9.662   1.754  -9.775
  153   2HG   ARG  20          1HG       ARG  20  11.097   0.785  -9.439
  154   1HD   ARG  20          2HD       ARG  20   9.770  -1.149 -10.508
  155   2HD   ARG  20          1HD       ARG  20   8.728   0.119 -11.153
  156    HE   ARG  20           HE       ARG  20  10.334   0.534 -12.707
  157   1HH1  ARG  20          1HH1      ARG  20  11.868  -0.967  -9.953
  158   2HH1  ARG  20          2HH1      ARG  20  13.434  -1.006 -10.690
  159   1HH2  ARG  20          1HH2      ARG  20  12.394   0.483 -13.676
  160   2HH2  ARG  20          2HH2      ARG  20  13.733  -0.182 -12.803
  161    H    GLY  21           H        GLY  21  10.753  -2.357  -5.811
  162   1HA   GLY  21          2HA       GLY  21  10.491  -4.613  -7.057
  163   2HA   GLY  21          1HA       GLY  21  11.817  -3.984  -8.016
  164    H    VAL  22           H        VAL  22  11.188  -3.950  -4.497
  165    HA   VAL  22           HA       VAL  22  13.793  -5.297  -4.162
  166    HB   VAL  22           HB       VAL  22  12.558  -3.479  -2.112
  167   1HG1  VAL  22          1HG1      VAL  22  14.229  -4.457  -0.964
  168   2HG1  VAL  22          2HG1      VAL  22  15.239  -3.297  -1.825
  169   3HG1  VAL  22          3HG1      VAL  22  15.084  -4.947  -2.426
  170   1HG2  VAL  22          1HG2      VAL  22  14.196  -1.754  -2.964
  171   2HG2  VAL  22          2HG2      VAL  22  12.764  -2.039  -3.953
  172   3HG2  VAL  22          3HG2      VAL  22  14.314  -2.736  -4.425
  173    H    GLU  23           H        GLU  23  13.651  -7.261  -3.325
  174    HA   GLU  23           HA       GLU  23  12.651  -9.168  -2.509
  175   1HB   GLU  23          2HB       GLU  23  12.032  -8.562   0.066
  176   2HB   GLU  23          1HB       GLU  23  13.656  -8.899  -0.514
  177   1HG   GLU  23          2HG       GLU  23  13.940  -6.435  -0.869
  178   2HG   GLU  23          1HG       GLU  23  12.398  -6.209  -0.046
  179    H    GLY  24           H        GLY  24  10.693  -7.125  -0.431
  180   1HA   GLY  24          2HA       GLY  24   8.288  -7.377  -1.971
  181   2HA   GLY  24          1HA       GLY  24   8.338  -8.506  -0.617
  182    H    ASP  25           H        ASP  25   9.188  -5.106  -1.186
  183    HA   ASP  25           HA       ASP  25   8.167  -4.421   1.442
  184   1HB   ASP  25          2HB       ASP  25   9.234  -2.131   0.292
  185   2HB   ASP  25          1HB       ASP  25  10.041  -3.207   1.413
  186    H    PHE  26           H        PHE  26   6.450  -3.173   1.827
  187    HA   PHE  26           HA       PHE  26   5.127  -1.807  -0.415
  188   1HB   PHE  26          2HB       PHE  26   4.066  -4.067   0.721
  189   2HB   PHE  26          1HB       PHE  26   3.282  -2.804   1.640
  190    HD1  PHE  26           1HD      PHE  26   1.948  -4.798  -0.254
  191    HD2  PHE  26           2HD      PHE  26   3.386  -0.841  -0.825
  192    HE1  PHE  26           1HE      PHE  26   0.330  -4.479  -2.075
  193    HE2  PHE  26           2HE      PHE  26   1.773  -0.514  -2.650
  194    HZ   PHE  26           HZ       PHE  26   0.243  -2.332  -3.278
  195    H    LEU  27           H        LEU  27   4.537   0.193   0.025
  196    HA   LEU  27           HA       LEU  27   4.192   1.010   2.806
  197   1HB   LEU  27          2HB       LEU  27   5.681   2.923   2.606
  198   2HB   LEU  27          1HB       LEU  27   6.545   1.406   2.414
  199    HG   LEU  27           HG       LEU  27   5.646   2.681  -0.093
  200   1HD1  LEU  27          1HD1      LEU  27   6.952   4.533  -0.046
  201   2HD1  LEU  27          2HD1      LEU  27   8.110   3.826   1.081
  202   3HD1  LEU  27          3HD1      LEU  27   6.568   4.446   1.672
  203   1HD2  LEU  27          1HD2      LEU  27   7.397   1.557  -0.971
  204   2HD2  LEU  27          2HD2      LEU  27   7.259   0.610   0.511
  205   3HD2  LEU  27          3HD2      LEU  27   8.448   1.908   0.401
  206    H    ILE  28           H        ILE  28   2.494   2.249   3.038
  207    HA   ILE  28           HA       ILE  28   1.416   3.604   0.664
  208    HB   ILE  28           HB       ILE  28  -0.042   1.845   1.501
  209   1HG1  ILE  28          2HG1      ILE  28  -1.160   4.577   2.141
  210   2HG1  ILE  28          1HG1      ILE  28  -1.073   3.860   0.530
  211   1HG2  ILE  28          1HG2      ILE  28   0.705   2.871   4.045
  212   2HG2  ILE  28          2HG2      ILE  28  -0.125   1.374   3.630
  213   3HG2  ILE  28          3HG2      ILE  28  -1.051   2.851   3.892
  214   1HD1  ILE  28          1HD1      ILE  28  -2.991   3.420   2.676
  215   2HD1  ILE  28          2HD1      ILE  28  -2.377   1.930   1.961
  216   3HD1  ILE  28          3HD1      ILE  28  -3.143   3.148   0.941
  217    H    ARG  29           H        ARG  29   0.783   5.724   0.773
  218    HA   ARG  29           HA       ARG  29   1.360   7.161   3.278
  219   1HB   ARG  29          2HB       ARG  29   2.243   9.017   1.926
  220   2HB   ARG  29          1HB       ARG  29   3.167   7.536   1.697
  221   1HG   ARG  29          2HG       ARG  29   1.891   7.127  -0.394
  222   2HG   ARG  29          1HG       ARG  29   1.117   8.696  -0.179
  223   1HD   ARG  29          2HD       ARG  29   3.960   8.987   0.065
  224   2HD   ARG  29          1HD       ARG  29   3.600   8.126  -1.425
  225    HE   ARG  29           HE       ARG  29   3.034  10.884  -0.838
  226   1HH1  ARG  29          1HH1      ARG  29   2.105   8.131  -2.772
  227   2HH1  ARG  29          2HH1      ARG  29   1.405   9.092  -4.030
  228   1HH2  ARG  29          1HH2      ARG  29   2.107  12.151  -2.491
  229   2HH2  ARG  29          2HH2      ARG  29   1.405  11.374  -3.871
  230    H    ASP  30           H        ASP  30   0.256   9.188   3.553
  231    HA   ASP  30           HA       ASP  30  -2.481   9.055   2.669
  232   1HB   ASP  30          2HB       ASP  30  -1.255  10.067   4.901
  233   2HB   ASP  30          1HB       ASP  30  -1.611  11.533   3.994
  234    H    SER  31           H        SER  31  -3.592  10.966   1.726
  235    HA   SER  31           HA       SER  31  -1.843  12.428  -0.140
  236   1HB   SER  31          2HB       SER  31  -3.644  10.494  -0.892
  237   2HB   SER  31          1HB       SER  31  -4.587  11.972  -1.081
  238    HG   SER  31           HG       SER  31  -1.991  11.587  -2.159
  239    H    GLU  32           H        GLU  32  -1.792  14.404   0.753
  240    HA   GLU  32           HA       GLU  32  -3.635  15.686   2.309
  241   1HB   GLU  32          2HB       GLU  32  -1.859  16.972   0.228
  242   2HB   GLU  32          1HB       GLU  32  -2.616  17.803   1.581
  243   1HG   GLU  32          2HG       GLU  32  -0.927  15.467   2.228
  244   2HG   GLU  32          1HG       GLU  32  -0.107  16.910   1.634
  245    H    SER  33           H        SER  33  -3.738  15.245  -1.150
  246    HA   SER  33           HA       SER  33  -5.483  17.224  -1.952
  247   1HB   SER  33          2HB       SER  33  -5.918  15.931  -3.865
  248   2HB   SER  33          1HB       SER  33  -4.324  15.383  -3.346
  249    HG   SER  33           HG       SER  33  -5.172  13.518  -2.645
  250    H    SER  34           H        SER  34  -6.244  14.121  -0.430
  251    HA   SER  34           HA       SER  34  -8.940  15.154   0.120
  252   1HB   SER  34          2HB       SER  34  -8.255  12.861  -1.493
  253   2HB   SER  34          1HB       SER  34  -9.195  12.358  -0.089
  254    HG   SER  34           HG       SER  34 -10.626  14.196  -0.739
  255    HA   PRO  35           HA       PRO  35  -8.249  13.784   4.249
  256   1HB   PRO  35          2HB       PRO  35 -10.708  13.105   5.098
  257   2HB   PRO  35          1HB       PRO  35 -10.280  14.777   4.716
  258   1HG   PRO  35          2HG       PRO  35 -11.774  12.780   3.063
  259   2HG   PRO  35          1HG       PRO  35 -12.114  14.502   3.314
  260   1HD   PRO  35          2HD       PRO  35 -10.848  13.512   1.100
  261   2HD   PRO  35          1HD       PRO  35 -10.602  15.156   1.721
  262    H    SER  36           H        SER  36  -9.670  11.527   2.014
  263    HA   SER  36           HA       SER  36  -8.658   9.325   3.675
  264   1HB   SER  36          2HB       SER  36 -11.320   9.506   2.275
  265   2HB   SER  36          1HB       SER  36 -10.607   7.957   2.724
  266    HG   SER  36           HG       SER  36 -12.085   9.346   4.246
  267    H    ASP  37           H        ASP  37  -7.238  10.565   1.593
  268    HA   ASP  37           HA       ASP  37  -7.354   8.543  -0.547
  269   1HB   ASP  37          2HB       ASP  37  -6.717  11.441  -0.525
  270   2HB   ASP  37          1HB       ASP  37  -5.733  10.432  -1.592
  271    H    PHE  38           H        PHE  38  -5.723   7.130  -0.705
  272    HA   PHE  38           HA       PHE  38  -3.140   7.825   0.503
  273   1HB   PHE  38          2HB       PHE  38  -4.836   5.417   1.062
  274   2HB   PHE  38          1HB       PHE  38  -3.077   5.305   1.177
  275    HD1  PHE  38           1HD      PHE  38  -6.037   7.099   2.489
  276    HD2  PHE  38           2HD      PHE  38  -1.935   6.120   3.054
  277    HE1  PHE  38           1HE      PHE  38  -6.130   8.034   4.763
  278    HE2  PHE  38           2HE      PHE  38  -2.021   7.050   5.329
  279    HZ   PHE  38           HZ       PHE  38  -4.121   8.009   6.187
  280    H    SER  39           H        SER  39  -1.333   6.682  -0.309
  281    HA   SER  39           HA       SER  39  -1.748   5.280  -2.862
  282   1HB   SER  39          2HB       SER  39   0.272   7.466  -2.296
  283   2HB   SER  39          1HB       SER  39   0.306   6.436  -3.727
  284    HG   SER  39           HG       SER  39  -1.793   7.243  -4.231
  285    H    VAL  40           H        VAL  40  -0.426   3.490  -3.161
  286    HA   VAL  40           HA       VAL  40   1.801   3.132  -1.317
  287    HB   VAL  40           HB       VAL  40  -0.199   2.218  -0.198
  288   1HG1  VAL  40          1HG1      VAL  40  -1.105   1.364  -2.497
  289   2HG1  VAL  40          2HG1      VAL  40  -1.512   0.555  -0.984
  290   3HG1  VAL  40          3HG1      VAL  40  -0.251  -0.105  -2.024
  291   1HG2  VAL  40          1HG2      VAL  40   1.445   1.095   0.794
  292   2HG2  VAL  40          2HG2      VAL  40   2.271   0.786  -0.730
  293   3HG2  VAL  40          3HG2      VAL  40   0.955  -0.264  -0.205
  294    H    SER  41           H        SER  41   3.434   1.853  -2.029
  295    HA   SER  41           HA       SER  41   3.130   0.677  -4.719
  296   1HB   SER  41          2HB       SER  41   5.476   2.189  -3.562
  297   2HB   SER  41          1HB       SER  41   5.547   1.275  -5.068
  298    HG   SER  41           HG       SER  41   5.086   3.497  -5.409
  299    H    LEU  42           H        LEU  42   3.935  -1.326  -5.094
  300    HA   LEU  42           HA       LEU  42   5.498  -2.630  -2.967
  301   1HB   LEU  42          2HB       LEU  42   3.072  -3.254  -2.882
  302   2HB   LEU  42          1HB       LEU  42   3.258  -3.978  -4.465
  303    HG   LEU  42           HG       LEU  42   5.035  -5.452  -3.441
  304   1HD1  LEU  42          1HD1      LEU  42   3.916  -5.102  -0.777
  305   2HD1  LEU  42          2HD1      LEU  42   4.838  -3.709  -1.342
  306   3HD1  LEU  42          3HD1      LEU  42   5.592  -5.299  -1.281
  307   1HD2  LEU  42          1HD2      LEU  42   2.451  -5.885  -2.048
  308   2HD2  LEU  42          2HD2      LEU  42   3.507  -7.046  -2.849
  309   3HD2  LEU  42          3HD2      LEU  42   2.521  -5.943  -3.809
  310    H    LYS  43           H        LYS  43   6.656  -4.527  -3.630
  311    HA   LYS  43           HA       LYS  43   7.595  -4.339  -6.394
  312   1HB   LYS  43          2HB       LYS  43   9.606  -5.134  -5.656
  313   2HB   LYS  43          1HB       LYS  43   9.029  -4.473  -4.138
  314   1HG   LYS  43          2HG       LYS  43   9.684  -6.519  -3.416
  315   2HG   LYS  43          1HG       LYS  43   8.032  -6.917  -3.884
  316   1HD   LYS  43          2HD       LYS  43   9.206  -8.606  -4.919
  317   2HD   LYS  43          1HD       LYS  43   9.132  -7.407  -6.209
  318   1HE   LYS  43          2HE       LYS  43  11.388  -6.601  -5.080
  319   2HE   LYS  43          1HE       LYS  43  11.438  -8.282  -4.556
  320   1HZ   LYS  43          1HZ       LYS  43  12.469  -7.553  -6.825
  321   2HZ   LYS  43          2HZ       LYS  43  10.877  -7.710  -7.375
  322   3HZ   LYS  43          3HZ       LYS  43  11.665  -9.036  -6.682
  323    H    ALA  44           H        ALA  44   7.809  -6.256  -7.706
  324    HA   ALA  44           HA       ALA  44   6.199  -8.556  -6.834
  325   1HB   ALA  44          1HB       ALA  44   5.989  -7.877  -9.692
  326   2HB   ALA  44          2HB       ALA  44   5.187  -6.761  -8.587
  327   3HB   ALA  44          3HB       ALA  44   4.763  -8.473  -8.573
  328    H    SER  45           H        SER  45   6.468 -10.246  -8.900
  329    HA   SER  45           HA       SER  45   9.150 -11.110  -8.697
  330   1HB   SER  45          2HB       SER  45   6.705 -12.012 -10.066
  331   2HB   SER  45          1HB       SER  45   8.197 -12.440 -10.903
  332    HG   SER  45           HG       SER  45   7.222 -13.818  -9.051
  333    H    GLY  46           H        GLY  46  10.297  -9.186  -9.321
  334   1HA   GLY  46          2HA       GLY  46  11.749  -8.261 -10.866
  335   2HA   GLY  46          1HA       GLY  46  10.969  -9.186 -12.138
  336    H    LYS  47           H        LYS  47   8.352  -8.075 -11.085
  337    HA   LYS  47           HA       LYS  47   8.495  -5.492 -12.459
  338   1HB   LYS  47          2HB       LYS  47   6.701  -7.760 -12.640
  339   2HB   LYS  47          1HB       LYS  47   5.820  -6.287 -12.280
  340   1HG   LYS  47          2HG       LYS  47   7.692  -6.713 -14.599
  341   2HG   LYS  47          1HG       LYS  47   5.929  -6.684 -14.673
  342   1HD   LYS  47          2HD       LYS  47   7.307  -4.335 -13.487
  343   2HD   LYS  47          1HD       LYS  47   7.401  -4.548 -15.235
  344   1HE   LYS  47          2HE       LYS  47   4.836  -4.529 -13.652
  345   2HE   LYS  47          1HE       LYS  47   5.500  -3.127 -14.490
  346   1HZ   LYS  47          1HZ       LYS  47   4.231  -3.867 -16.166
  347   2HZ   LYS  47          2HZ       LYS  47   4.133  -5.443 -15.560
  348   3HZ   LYS  47          3HZ       LYS  47   5.495  -4.960 -16.439
  349    H    ASN  48           H        ASN  48   6.849  -3.869 -11.675
  350    HA   ASN  48           HA       ASN  48   6.698  -3.990  -8.740
  351   1HB   ASN  48          2HB       ASN  48   6.466  -1.496  -8.872
  352   2HB   ASN  48          1HB       ASN  48   8.005  -2.115  -9.472
  353   1HD2  ASN  48          1HD2      ASN  48   5.626   0.032 -10.075
  354   2HD2  ASN  48          2HD2      ASN  48   5.807   0.210 -11.784
  355    H    LYS  49           H        LYS  49   4.774  -4.003  -7.747
  356    HA   LYS  49           HA       LYS  49   2.380  -4.053  -9.385
  357   1HB   LYS  49          2HB       LYS  49   3.049  -4.804  -6.570
  358   2HB   LYS  49          1HB       LYS  49   1.371  -4.477  -6.981
  359   1HG   LYS  49          2HG       LYS  49   1.815  -6.149  -8.926
  360   2HG   LYS  49          1HG       LYS  49   3.156  -6.674  -7.909
  361   1HD   LYS  49          2HD       LYS  49   1.787  -7.562  -6.323
  362   2HD   LYS  49          1HD       LYS  49   0.506  -6.377  -6.597
  363   1HE   LYS  49          2HE       LYS  49  -0.268  -8.533  -7.316
  364   2HE   LYS  49          1HE       LYS  49  -0.013  -7.520  -8.740
  365   1HZ   LYS  49          1HZ       LYS  49   0.901  -9.990  -8.557
  366   2HZ   LYS  49          2HZ       LYS  49   2.228  -9.179  -7.893
  367   3HZ   LYS  49          3HZ       LYS  49   1.695  -8.792  -9.451
  368    H    HIS  50           H        HIS  50   1.169  -2.322  -9.733
  369    HA   HIS  50           HA       HIS  50   1.598   0.101  -8.227
  370   1HB   HIS  50          2HB       HIS  50  -0.340   0.915  -9.749
  371   2HB   HIS  50          1HB       HIS  50   1.219   0.563 -10.481
  372    HD1  HIS  50           1HD      HIS  50  -2.310  -0.645 -10.322
  373    HD2  HIS  50           2HD      HIS  50   1.254  -1.653 -12.208
  374    HE1  HIS  50           1HE      HIS  50  -2.938  -2.303 -12.106
  375    HE2  HIS  50           2HE      HIS  50  -0.760  -2.936 -13.202
  376    H    PHE  51           H        PHE  51   0.205   1.068  -6.806
  377    HA   PHE  51           HA       PHE  51  -2.353  -0.205  -6.228
  378   1HB   PHE  51          2HB       PHE  51  -0.399  -1.261  -4.890
  379   2HB   PHE  51          1HB       PHE  51  -0.420   0.234  -3.974
  380    HD1  PHE  51           1HD      PHE  51  -2.971   0.918  -3.292
  381    HD2  PHE  51           2HD      PHE  51  -1.473  -3.013  -3.926
  382    HE1  PHE  51           1HE      PHE  51  -4.728   0.015  -1.832
  383    HE2  PHE  51           2HE      PHE  51  -3.230  -3.924  -2.469
  384    HZ   PHE  51           HZ       PHE  51  -4.857  -2.411  -1.416
  385    H    LYS  52           H        LYS  52  -3.696   1.485  -6.351
  386    HA   LYS  52           HA       LYS  52  -2.914   3.987  -5.000
  387   1HB   LYS  52          2HB       LYS  52  -3.297   3.800  -7.641
  388   2HB   LYS  52          1HB       LYS  52  -4.966   4.051  -7.150
  389   1HG   LYS  52          2HG       LYS  52  -4.621   6.202  -6.591
  390   2HG   LYS  52          1HG       LYS  52  -3.005   5.890  -5.954
  391   1HD   LYS  52          2HD       LYS  52  -2.903   5.431  -8.742
  392   2HD   LYS  52          1HD       LYS  52  -3.766   6.951  -8.500
  393   1HE   LYS  52          2HE       LYS  52  -1.380   6.646  -6.830
  394   2HE   LYS  52          1HE       LYS  52  -1.048   6.667  -8.561
  395   1HZ   LYS  52          1HZ       LYS  52  -1.309   8.860  -7.064
  396   2HZ   LYS  52          2HZ       LYS  52  -2.894   8.697  -7.629
  397   3HZ   LYS  52          3HZ       LYS  52  -1.614   8.818  -8.728
  398    H    VAL  53           H        VAL  53  -4.254   4.796  -3.497
  399    HA   VAL  53           HA       VAL  53  -6.891   3.522  -3.187
  400    HB   VAL  53           HB       VAL  53  -5.022   4.487  -1.017
  401   1HG1  VAL  53          1HG1      VAL  53  -6.968   4.903   0.060
  402   2HG1  VAL  53          2HG1      VAL  53  -6.921   3.161   0.329
  403   3HG1  VAL  53          3HG1      VAL  53  -7.902   3.826  -0.977
  404   1HG2  VAL  53          1HG2      VAL  53  -5.368   1.978  -0.378
  405   2HG2  VAL  53          2HG2      VAL  53  -4.196   2.429  -1.617
  406   3HG2  VAL  53          3HG2      VAL  53  -5.779   1.810  -2.085
  407    H    GLN  54           H        GLN  54  -8.431   4.917  -3.752
  408    HA   GLN  54           HA       GLN  54  -8.162   7.731  -2.900
  409   1HB   GLN  54          2HB       GLN  54  -8.208   6.850  -5.503
  410   2HB   GLN  54          1HB       GLN  54  -9.896   7.248  -5.217
  411   1HG   GLN  54          2HG       GLN  54  -9.215   9.279  -5.901
  412   2HG   GLN  54          1HG       GLN  54  -8.769   9.443  -4.204
  413   1HE2  GLN  54          1HE2      GLN  54  -6.495   8.325  -3.823
  414   2HE2  GLN  54          2HE2      GLN  54  -5.260   8.883  -4.896
  415    H    LEU  55           H        LEU  55  -9.906   8.703  -1.988
  416    HA   LEU  55           HA       LEU  55 -12.016   6.955  -1.082
  417   1HB   LEU  55          2HB       LEU  55 -11.622   8.215   0.718
  418   2HB   LEU  55          1HB       LEU  55 -10.763   9.422  -0.219
  419    HG   LEU  55           HG       LEU  55 -12.745  10.215   1.135
  420   1HD1  LEU  55          1HD1      LEU  55 -12.564  11.965  -0.187
  421   2HD1  LEU  55          2HD1      LEU  55 -13.559  11.172  -1.409
  422   3HD1  LEU  55          3HD1      LEU  55 -11.808  10.955  -1.419
  423   1HD2  LEU  55          1HD2      LEU  55 -14.628   9.526  -0.985
  424   2HD2  LEU  55          2HD2      LEU  55 -14.831   9.513   0.767
  425   3HD2  LEU  55          3HD2      LEU  55 -14.078   8.141  -0.043
  426    H    VAL  56           H        VAL  56 -13.704   6.597  -2.350
  427    HA   VAL  56           HA       VAL  56 -14.699   8.784  -4.047
  428    HB   VAL  56           HB       VAL  56 -14.103   6.078  -4.661
  429   1HG1  VAL  56          1HG1      VAL  56 -16.343   5.505  -3.906
  430   2HG1  VAL  56          2HG1      VAL  56 -16.209   5.333  -5.655
  431   3HG1  VAL  56          3HG1      VAL  56 -17.029   6.734  -4.968
  432   1HG2  VAL  56          1HG2      VAL  56 -13.891   8.254  -6.004
  433   2HG2  VAL  56          2HG2      VAL  56 -15.571   7.974  -6.461
  434   3HG2  VAL  56          3HG2      VAL  56 -14.336   6.785  -6.874
  435    H    ASP  57           H        ASP  57 -16.751   9.459  -3.873
  436    HA   ASP  57           HA       ASP  57 -18.651   9.953  -2.645
  437   1HB   ASP  57          2HB       ASP  57 -18.903   7.348  -4.042
  438   2HB   ASP  57          1HB       ASP  57 -20.198   7.777  -2.923
  439    H    ASN  58           H        ASN  58 -17.049   9.650  -0.641
  440    HA   ASN  58           HA       ASN  58 -16.883   9.098   1.565
  441   1HB   ASN  58          2HB       ASN  58 -19.285   9.770   1.540
  442   2HB   ASN  58          1HB       ASN  58 -19.718   8.089   1.245
  443   1HD2  ASN  58          1HD2      ASN  58 -17.391   9.662   3.410
  444   2HD2  ASN  58          2HD2      ASN  58 -17.986   8.931   4.858
  445    H    VAL  59           H        VAL  59 -16.126   7.183  -0.482
  446    HA   VAL  59           HA       VAL  59 -16.187   4.757   1.158
  447    HB   VAL  59           HB       VAL  59 -17.522   4.956  -1.279
  448   1HG1  VAL  59          1HG1      VAL  59 -16.393   3.580  -2.854
  449   2HG1  VAL  59          2HG1      VAL  59 -15.097   3.228  -1.711
  450   3HG1  VAL  59          3HG1      VAL  59 -15.268   4.852  -2.378
  451   1HG2  VAL  59          1HG2      VAL  59 -16.578   2.577   0.301
  452   2HG2  VAL  59          2HG2      VAL  59 -17.718   2.467  -1.040
  453   3HG2  VAL  59          3HG2      VAL  59 -18.138   3.393   0.400
  454    H    TYR  60           H        TYR  60 -14.353   3.339   0.821
  455    HA   TYR  60           HA       TYR  60 -11.994   4.868  -0.012
  456   1HB   TYR  60          2HB       TYR  60 -12.052   2.301   1.571
  457   2HB   TYR  60          1HB       TYR  60 -10.702   3.423   1.389
  458    HD1  TYR  60           1HD      TYR  60 -11.159   5.865   2.266
  459    HD2  TYR  60           2HD      TYR  60 -13.366   2.432   3.470
  460    HE1  TYR  60           1HE      TYR  60 -11.860   7.039   4.311
  461    HE2  TYR  60           2HE      TYR  60 -14.073   3.597   5.517
  462    HH   TYR  60           HH       TYR  60 -14.337   5.889   6.336
  463    H    CYS  61           H        CYS  61 -11.132   4.439  -1.921
  464    HA   CYS  61           HA       CYS  61 -11.834   1.968  -3.290
  465   1HB   CYS  61          2HB       CYS  61 -11.988   4.223  -4.410
  466   2HB   CYS  61          1HB       CYS  61 -10.230   4.288  -4.369
  467    HG   CYS  61           HG       CYS  61 -10.745   3.353  -6.661
  468    H    ILE  62           H        ILE  62 -10.488   0.321  -3.639
  469    HA   ILE  62           HA       ILE  62  -7.606   0.693  -3.290
  470    HB   ILE  62           HB       ILE  62  -8.874  -1.749  -2.105
  471   1HG1  ILE  62          2HG1      ILE  62  -9.993   0.217  -1.061
  472   2HG1  ILE  62          1HG1      ILE  62  -9.007  -0.701   0.081
  473   1HG2  ILE  62          1HG2      ILE  62  -6.345  -1.293  -2.562
  474   2HG2  ILE  62          2HG2      ILE  62  -6.848  -2.076  -1.065
  475   3HG2  ILE  62          3HG2      ILE  62  -6.445  -0.360  -1.069
  476   1HD1  ILE  62          1HD1      ILE  62  -7.715   1.053   0.513
  477   2HD1  ILE  62          2HD1      ILE  62  -8.947   2.015  -0.303
  478   3HD1  ILE  62          3HD1      ILE  62  -7.535   1.451  -1.195
  479    H    GLY  63           H        GLY  63  -6.804   0.110  -5.205
  480   1HA   GLY  63          2HA       GLY  63  -6.331  -1.148  -7.064
  481   2HA   GLY  63          1HA       GLY  63  -6.973  -2.525  -6.176
  482    H    GLN  64           H        GLN  64  -8.247   0.425  -7.744
  483    HA   GLN  64           HA       GLN  64 -10.100   0.770  -9.027
  484   1HB   GLN  64          2HB       GLN  64  -8.500  -1.063 -10.278
  485   2HB   GLN  64          1HB       GLN  64 -10.045  -1.901 -10.254
  486   1HG   GLN  64          2HG       GLN  64  -9.711  -0.624 -12.311
  487   2HG   GLN  64          1HG       GLN  64 -11.107  -0.057 -11.394
  488   1HE2  GLN  64          1HE2      GLN  64  -7.608   0.561 -11.455
  489   2HE2  GLN  64          2HE2      GLN  64  -7.740   2.284 -11.446
  490    H    ARG  65           H        ARG  65 -10.574  -0.384  -6.432
  491    HA   ARG  65           HA       ARG  65 -13.239  -1.467  -6.932
  492   1HB   ARG  65          2HB       ARG  65 -11.008  -2.943  -5.718
  493   2HB   ARG  65          1HB       ARG  65 -12.474  -2.949  -4.747
  494   1HG   ARG  65          2HG       ARG  65 -12.747  -4.830  -6.037
  495   2HG   ARG  65          1HG       ARG  65 -13.634  -3.622  -6.969
  496   1HD   ARG  65          2HD       ARG  65 -12.393  -4.301  -8.702
  497   2HD   ARG  65          1HD       ARG  65 -11.090  -3.379  -7.956
  498    HE   ARG  65           HE       ARG  65 -11.303  -6.079  -6.990
  499   1HH1  ARG  65          1HH1      ARG  65  -9.939  -4.017  -9.455
  500   2HH1  ARG  65          2HH1      ARG  65  -8.638  -5.100  -9.817
  501   1HH2  ARG  65          1HH2      ARG  65  -9.591  -7.504  -7.465
  502   2HH2  ARG  65          2HH2      ARG  65  -8.440  -7.079  -8.689
  503    H    ARG  66           H        ARG  66 -14.547  -1.480  -4.840
  504    HA   ARG  66           HA       ARG  66 -13.722   0.808  -3.190
  505   1HB   ARG  66          2HB       ARG  66 -16.566  -0.058  -3.628
  506   2HB   ARG  66          1HB       ARG  66 -15.965   1.470  -3.012
  507   1HG   ARG  66          2HG       ARG  66 -15.806   0.463  -5.838
  508   2HG   ARG  66          1HG       ARG  66 -16.765   1.815  -5.235
  509   1HD   ARG  66          2HD       ARG  66 -14.901   3.170  -4.943
  510   2HD   ARG  66          1HD       ARG  66 -13.785   1.803  -4.922
  511    HE   ARG  66           HE       ARG  66 -14.713   1.667  -7.412
  512   1HH1  ARG  66          1HH1      ARG  66 -13.580   4.409  -5.571
  513   2HH1  ARG  66          2HH1      ARG  66 -13.023   5.271  -6.965
  514   1HH2  ARG  66          1HH2      ARG  66 -13.972   2.794  -9.241
  515   2HH2  ARG  66          2HH2      ARG  66 -13.236   4.350  -9.048
  516    H    PHE  67           H        PHE  67 -13.462   0.473  -1.124
  517    HA   PHE  67           HA       PHE  67 -14.795  -1.781   0.184
  518   1HB   PHE  67          2HB       PHE  67 -11.848  -1.164   0.435
  519   2HB   PHE  67          1HB       PHE  67 -12.722  -2.437   1.285
  520    HD1  PHE  67           1HD      PHE  67 -14.133  -4.001  -0.389
  521    HD2  PHE  67           2HD      PHE  67 -10.634  -1.804  -1.392
  522    HE1  PHE  67           1HE      PHE  67 -13.713  -5.537  -2.264
  523    HE2  PHE  67           2HE      PHE  67 -10.203  -3.337  -3.268
  524    HZ   PHE  67           HZ       PHE  67 -11.745  -5.206  -3.707
  525    H    HIS  68           H        HIS  68 -14.771  -1.660   2.543
  526    HA   HIS  68           HA       HIS  68 -15.084   1.105   3.413
  527   1HB   HIS  68          2HB       HIS  68 -16.903  -0.486   3.877
  528   2HB   HIS  68          1HB       HIS  68 -15.793  -1.486   4.809
  529    HD1  HIS  68           1HD      HIS  68 -16.276   2.278   5.000
  530    HD2  HIS  68           2HD      HIS  68 -16.676  -1.125   7.350
  531    HE1  HIS  68           1HE      HIS  68 -16.864   3.113   7.298
  532    HE2  HIS  68           2HE      HIS  68 -16.996   1.042   8.726
  533    H    THR  69           H        THR  69 -12.459   0.502   2.990
  534    HA   THR  69           HA       THR  69 -11.381   0.729   5.685
  535    HB   THR  69           HB       THR  69 -11.294  -1.689   5.031
  536    HG1  THR  69           1HG      THR  69  -9.750  -0.784   6.470
  537   1HG2  THR  69          1HG2      THR  69  -9.668  -2.441   3.416
  538   2HG2  THR  69          2HG2      THR  69  -9.283  -0.774   2.990
  539   3HG2  THR  69          3HG2      THR  69 -10.881  -1.428   2.634
  540    H    MET  70           H        MET  70  -9.228   1.666   5.723
  541    HA   MET  70           HA       MET  70  -7.903   2.501   3.359
  542   1HB   MET  70          2HB       MET  70  -9.691   4.048   3.062
  543   2HB   MET  70          1HB       MET  70  -9.676   4.500   4.760
  544   1HG   MET  70          2HG       MET  70  -7.114   5.090   3.812
  545   2HG   MET  70          1HG       MET  70  -8.222   5.617   2.548
  546   1HE   MET  70          1HE       MET  70  -6.993   5.927   6.125
  547   2HE   MET  70          2HE       MET  70  -8.669   5.648   6.595
  548   3HE   MET  70          3HE       MET  70  -7.940   7.236   6.832
  549    H    ASP  71           H        ASP  71  -5.880   2.346   4.031
  550    HA   ASP  71           HA       ASP  71  -3.951   2.819   5.168
  551   1HB   ASP  71          2HB       ASP  71  -5.290   5.029   5.688
  552   2HB   ASP  71          1HB       ASP  71  -5.370   4.342   7.309
  553    H    GLU  72           H        GLU  72  -6.773   1.557   6.634
  554    HA   GLU  72           HA       GLU  72  -5.274   0.401   8.862
  555   1HB   GLU  72          2HB       GLU  72  -8.096   0.999   8.328
  556   2HB   GLU  72          1HB       GLU  72  -7.842  -0.588   9.040
  557   1HG   GLU  72          2HG       GLU  72  -6.273   1.395  10.407
  558   2HG   GLU  72          1HG       GLU  72  -7.969   1.869  10.352
  559    H    LEU  73           H        LEU  73  -6.431  -0.286   5.739
  560    HA   LEU  73           HA       LEU  73  -6.523  -3.131   6.036
  561   1HB   LEU  73          2HB       LEU  73  -6.717  -3.150   3.550
  562   2HB   LEU  73          1HB       LEU  73  -7.952  -2.212   4.362
  563    HG   LEU  73           HG       LEU  73  -7.389  -0.316   3.286
  564   1HD1  LEU  73          1HD1      LEU  73  -4.469  -1.035   3.379
  565   2HD1  LEU  73          2HD1      LEU  73  -5.300  -0.021   4.554
  566   3HD1  LEU  73          3HD1      LEU  73  -5.159   0.505   2.883
  567   1HD2  LEU  73          1HD2      LEU  73  -6.179  -0.687   1.128
  568   2HD2  LEU  73          2HD2      LEU  73  -7.550  -1.757   1.419
  569   3HD2  LEU  73          3HD2      LEU  73  -5.905  -2.348   1.651
  570    H    VAL  74           H        VAL  74  -4.037  -0.929   5.807
  571    HA   VAL  74           HA       VAL  74  -2.284  -2.718   4.371
  572    HB   VAL  74           HB       VAL  74  -1.269  -0.343   5.839
  573   1HG1  VAL  74          1HG1      VAL  74   0.037  -2.047   4.398
  574   2HG1  VAL  74          2HG1      VAL  74   0.372  -0.331   4.187
  575   3HG1  VAL  74          3HG1      VAL  74  -0.655  -1.178   3.029
  576   1HG2  VAL  74          1HG2      VAL  74  -2.722  -0.130   3.197
  577   2HG2  VAL  74          2HG2      VAL  74  -1.935   1.174   4.076
  578   3HG2  VAL  74          3HG2      VAL  74  -3.367   0.414   4.744
  579    H    GLU  75           H        GLU  75  -3.471  -2.406   7.422
  580    HA   GLU  75           HA       GLU  75  -1.065  -3.324   8.797
  581   1HB   GLU  75          2HB       GLU  75  -3.720  -2.275   9.635
  582   2HB   GLU  75          1HB       GLU  75  -2.906  -3.383  10.732
  583   1HG   GLU  75          2HG       GLU  75  -1.194  -1.255   9.691
  584   2HG   GLU  75          1HG       GLU  75  -2.550  -0.688  10.665
  585    H    HIS  76           H        HIS  76  -4.056  -4.526   7.511
  586    HA   HIS  76           HA       HIS  76  -3.187  -7.236   8.001
  587   1HB   HIS  76          2HB       HIS  76  -4.686  -6.237   9.979
  588   2HB   HIS  76          1HB       HIS  76  -5.978  -6.744   8.895
  589    HD1  HIS  76           1HD      HIS  76  -5.355  -8.074  11.688
  590    HD2  HIS  76           2HD      HIS  76  -4.164  -9.530   7.982
  591    HE1  HIS  76           1HE      HIS  76  -4.977 -10.538  12.023
  592    HE2  HIS  76           2HE      HIS  76  -4.324 -11.410   9.751
  593    H    TYR  77           H        TYR  77  -3.974  -5.300   5.745
  594    HA   TYR  77           HA       TYR  77  -5.220  -5.284   3.834
  595   1HB   TYR  77          2HB       TYR  77  -5.039  -7.410   2.597
  596   2HB   TYR  77          1HB       TYR  77  -3.514  -6.886   3.306
  597    HD1  TYR  77           1HD      TYR  77  -2.651  -8.062   5.335
  598    HD2  TYR  77           2HD      TYR  77  -6.044  -9.482   3.197
  599    HE1  TYR  77           1HE      TYR  77  -2.411 -10.254   6.421
  600    HE2  TYR  77           2HE      TYR  77  -5.814 -11.678   4.279
  601    HH   TYR  77           HH       TYR  77  -4.838 -12.692   6.200
  602    H    LYS  78           H        LYS  78  -7.161  -4.807   5.240
  603    HA   LYS  78           HA       LYS  78  -9.081  -6.741   5.878
  604   1HB   LYS  78          2HB       LYS  78 -10.108  -4.132   4.892
  605   2HB   LYS  78          1HB       LYS  78 -10.509  -5.015   6.355
  606   1HG   LYS  78          2HG       LYS  78  -7.966  -4.289   6.906
  607   2HG   LYS  78          1HG       LYS  78  -8.479  -2.951   5.883
  608   1HD   LYS  78          2HD       LYS  78  -9.122  -2.184   7.947
  609   2HD   LYS  78          1HD       LYS  78 -10.602  -2.972   7.401
  610   1HE   LYS  78          2HE       LYS  78  -9.649  -3.397   9.807
  611   2HE   LYS  78          1HE       LYS  78 -10.389  -4.706   8.882
  612   1HZ   LYS  78          1HZ       LYS  78  -8.294  -5.593   8.361
  613   2HZ   LYS  78          2HZ       LYS  78  -8.201  -5.205  10.005
  614   3HZ   LYS  78          3HZ       LYS  78  -7.470  -4.200   8.857
  615    H    LYS  79           H        LYS  79  -9.461  -4.468   3.155
  616    HA   LYS  79           HA       LYS  79 -10.310  -6.745   1.494
  617   1HB   LYS  79          2HB       LYS  79 -11.568  -3.993   1.525
  618   2HB   LYS  79          1HB       LYS  79 -11.999  -5.306   0.438
  619   1HG   LYS  79          2HG       LYS  79 -13.620  -5.648   1.957
  620   2HG   LYS  79          1HG       LYS  79 -12.348  -6.547   2.786
  621   1HD   LYS  79          2HD       LYS  79 -11.868  -4.699   4.214
  622   2HD   LYS  79          1HD       LYS  79 -12.902  -3.625   3.270
  623   1HE   LYS  79          2HE       LYS  79 -14.015  -6.078   4.582
  624   2HE   LYS  79          1HE       LYS  79 -13.796  -4.587   5.496
  625   1HZ   LYS  79          1HZ       LYS  79 -15.071  -3.608   3.428
  626   2HZ   LYS  79          2HZ       LYS  79 -15.898  -4.273   4.744
  627   3HZ   LYS  79          3HZ       LYS  79 -15.674  -5.187   3.339
  628    H    ALA  80           H        ALA  80  -7.899  -6.380   1.212
  629    HA   ALA  80           HA       ALA  80  -7.307  -4.357  -0.830
  630   1HB   ALA  80          1HB       ALA  80  -4.892  -5.400  -0.226
  631   2HB   ALA  80          2HB       ALA  80  -5.734  -5.638   1.306
  632   3HB   ALA  80          3HB       ALA  80  -5.606  -4.022   0.611
  633    HA   PRO  81           HA       PRO  81  -6.949  -7.460  -4.001
  634   1HB   PRO  81          2HB       PRO  81  -4.857  -6.579  -5.460
  635   2HB   PRO  81          1HB       PRO  81  -6.407  -5.721  -5.456
  636   1HG   PRO  81          2HG       PRO  81  -3.947  -5.182  -3.808
  637   2HG   PRO  81          1HG       PRO  81  -4.885  -4.036  -4.805
  638   1HD   PRO  81          2HD       PRO  81  -5.305  -4.165  -2.171
  639   2HD   PRO  81          1HD       PRO  81  -6.679  -3.991  -3.286
  640    H    ILE  82           H        ILE  82  -5.053  -7.265  -1.424
  641    HA   ILE  82           HA       ILE  82  -2.678  -8.549  -1.992
  642    HB   ILE  82           HB       ILE  82  -4.335  -8.114   0.439
  643   1HG1  ILE  82          2HG1      ILE  82  -1.462  -7.611   0.482
  644   2HG1  ILE  82          1HG1      ILE  82  -2.293  -6.781  -0.833
  645   1HG2  ILE  82          1HG2      ILE  82  -3.699 -10.078   1.301
  646   2HG2  ILE  82          2HG2      ILE  82  -2.164  -9.244   1.547
  647   3HG2  ILE  82          3HG2      ILE  82  -2.388 -10.286   0.142
  648   1HD1  ILE  82          1HD1      ILE  82  -2.221  -6.194   1.962
  649   2HD1  ILE  82          2HD1      ILE  82  -3.881  -6.405   1.403
  650   3HD1  ILE  82          3HD1      ILE  82  -2.829  -5.238   0.613
  651    H    PHE  83           H        PHE  83  -2.238 -10.558  -2.477
  652    HA   PHE  83           HA       PHE  83  -4.262 -12.660  -2.072
  653   1HB   PHE  83          2HB       PHE  83  -3.189 -11.569  -4.540
  654   2HB   PHE  83          1HB       PHE  83  -2.924 -13.308  -4.436
  655    HD1  PHE  83           1HD      PHE  83  -4.948 -11.118  -5.914
  656    HD2  PHE  83           2HD      PHE  83  -5.255 -14.370  -3.186
  657    HE1  PHE  83           1HE      PHE  83  -7.274 -11.487  -6.623
  658    HE2  PHE  83           2HE      PHE  83  -7.583 -14.745  -3.891
  659    HZ   PHE  83           HZ       PHE  83  -8.595 -13.303  -5.612
  660    H    THR  84           H        THR  84  -3.443 -14.845  -2.018
  661    HA   THR  84           HA       THR  84  -0.589 -14.980  -1.294
  662    HB   THR  84           HB       THR  84  -2.852 -16.692  -0.250
  663    HG1  THR  84           1HG      THR  84  -3.078 -15.078   1.058
  664   1HG2  THR  84          1HG2      THR  84   0.010 -17.049  -0.152
  665   2HG2  THR  84          2HG2      THR  84  -1.283 -18.135   0.354
  666   3HG2  THR  84          3HG2      THR  84  -0.685 -16.899   1.461
  667    H    SER  85           H        SER  85   0.681 -16.442  -2.280
  668    HA   SER  85           HA       SER  85  -0.591 -18.186  -4.280
  669   1HB   SER  85          2HB       SER  85   1.232 -16.324  -4.816
  670   2HB   SER  85          1HB       SER  85   2.334 -17.619  -4.353
  671    HG   SER  85           HG       SER  85   0.258 -18.004  -6.233
  672    H    GLU  86           H        GLU  86  -0.346 -20.322  -4.186
  673    HA   GLU  86           HA       GLU  86   0.180 -21.772  -1.995
  674   1HB   GLU  86          2HB       GLU  86   0.825 -23.674  -3.551
  675   2HB   GLU  86          1HB       GLU  86  -0.724 -22.898  -3.852
  676   1HG   GLU  86          2HG       GLU  86   1.317 -21.574  -5.354
  677   2HG   GLU  86          1HG       GLU  86   1.391 -23.310  -5.651
  678    H    HIS  87           H        HIS  87   2.639 -20.410  -4.080
  679    HA   HIS  87           HA       HIS  87   4.762 -21.939  -2.849
  680   1HB   HIS  87          2HB       HIS  87   4.675 -21.040  -5.283
  681   2HB   HIS  87          1HB       HIS  87   5.200 -19.518  -4.570
  682    HD1  HIS  87           1HD      HIS  87   6.331 -23.150  -4.639
  683    HD2  HIS  87           2HD      HIS  87   7.890 -19.310  -4.340
  684    HE1  HIS  87           1HE      HIS  87   8.829 -23.436  -4.642
  685    HE2  HIS  87           2HE      HIS  87   9.749 -21.108  -4.360
  686    H    GLY  88           H        GLY  88   3.142 -20.311  -1.081
  687   1HA   GLY  88          2HA       GLY  88   3.379 -18.885   0.685
  688   2HA   GLY  88          1HA       GLY  88   5.088 -19.279   0.596
  689    H    GLU  89           H        GLU  89   3.585 -17.767  -2.151
  690    HA   GLU  89           HA       GLU  89   4.929 -15.255  -1.394
  691   1HB   GLU  89          2HB       GLU  89   5.652 -14.923  -3.547
  692   2HB   GLU  89          1HB       GLU  89   5.670 -16.677  -3.497
  693   1HG   GLU  89          2HG       GLU  89   3.975 -16.875  -4.971
  694   2HG   GLU  89          1HG       GLU  89   3.171 -15.414  -4.403
  695    H    LYS  90           H        LYS  90   3.549 -13.774  -0.789
  696    HA   LYS  90           HA       LYS  90   0.927 -13.648  -2.109
  697   1HB   LYS  90          2HB       LYS  90   1.182 -12.757   0.718
  698   2HB   LYS  90          1HB       LYS  90  -0.195 -13.469  -0.113
  699   1HG   LYS  90          2HG       LYS  90   0.383 -15.177   1.283
  700   2HG   LYS  90          1HG       LYS  90   1.330 -15.603  -0.143
  701   1HD   LYS  90          2HD       LYS  90   3.101 -15.659   1.216
  702   2HD   LYS  90          1HD       LYS  90   2.996 -13.898   1.252
  703   1HE   LYS  90          2HE       LYS  90   1.314 -15.495   3.127
  704   2HE   LYS  90          1HE       LYS  90   3.030 -15.294   3.476
  705   1HZ   LYS  90          1HZ       LYS  90   2.347 -12.786   2.931
  706   2HZ   LYS  90          2HZ       LYS  90   2.292 -13.442   4.489
  707   3HZ   LYS  90          3HZ       LYS  90   0.880 -13.344   3.564
  708    H    LEU  91           H        LEU  91   0.056 -11.680  -2.565
  709    HA   LEU  91           HA       LEU  91   1.805  -9.385  -2.622
  710   1HB   LEU  91          2HB       LEU  91   0.022  -9.935  -4.351
  711   2HB   LEU  91          1HB       LEU  91  -1.171  -9.520  -3.154
  712    HG   LEU  91           HG       LEU  91   0.520  -7.785  -4.834
  713   1HD1  LEU  91          1HD1      LEU  91  -1.650  -7.657  -5.467
  714   2HD1  LEU  91          2HD1      LEU  91  -1.655  -6.384  -4.245
  715   3HD1  LEU  91          3HD1      LEU  91  -2.260  -7.993  -3.847
  716   1HD2  LEU  91          1HD2      LEU  91   0.646  -5.970  -3.344
  717   2HD2  LEU  91          2HD2      LEU  91   1.261  -7.352  -2.441
  718   3HD2  LEU  91          3HD2      LEU  91  -0.375  -6.771  -2.150
  719    H    TYR  92           H        TYR  92   2.227  -8.759  -0.541
  720    HA   TYR  92           HA       TYR  92  -0.096  -8.073   1.142
  721   1HB   TYR  92          2HB       TYR  92   2.316  -9.667   1.750
  722   2HB   TYR  92          1HB       TYR  92   1.794  -8.542   3.003
  723    HD1  TYR  92           1HD      TYR  92   0.674  -9.659   4.674
  724    HD2  TYR  92           2HD      TYR  92  -0.034 -10.801   0.638
  725    HE1  TYR  92           1HE      TYR  92  -1.004 -11.288   5.433
  726    HE2  TYR  92           2HE      TYR  92  -1.715 -12.429   1.385
  727    HH   TYR  92           HH       TYR  92  -3.221 -12.731   3.394
  728    H    LEU  93           H        LEU  93   0.002  -6.236   2.406
  729    HA   LEU  93           HA       LEU  93   1.978  -4.272   1.572
  730   1HB   LEU  93          2HB       LEU  93  -0.274  -3.748   3.484
  731   2HB   LEU  93          1HB       LEU  93   0.578  -2.607   2.457
  732    HG   LEU  93           HG       LEU  93  -0.909  -4.709   1.016
  733   1HD1  LEU  93          1HD1      LEU  93  -2.339  -2.546   2.548
  734   2HD1  LEU  93          2HD1      LEU  93  -2.465  -4.281   2.840
  735   3HD1  LEU  93          3HD1      LEU  93  -3.063  -3.592   1.331
  736   1HD2  LEU  93          1HD2      LEU  93  -1.368  -1.848   0.538
  737   2HD2  LEU  93          2HD2      LEU  93  -1.004  -3.147  -0.594
  738   3HD2  LEU  93          3HD2      LEU  93   0.295  -2.393   0.332
  739    H    VAL  94           H        VAL  94   3.632  -5.597   2.761
  740    HA   VAL  94           HA       VAL  94   3.667  -5.866   5.527
  741    HB   VAL  94           HB       VAL  94   5.251  -7.086   4.284
  742   1HG1  VAL  94          1HG1      VAL  94   5.974  -6.257   2.372
  743   2HG1  VAL  94          2HG1      VAL  94   7.177  -5.369   3.307
  744   3HG1  VAL  94          3HG1      VAL  94   5.645  -4.603   2.886
  745   1HG2  VAL  94          1HG2      VAL  94   6.786  -6.998   5.883
  746   2HG2  VAL  94          2HG2      VAL  94   6.030  -5.511   6.452
  747   3HG2  VAL  94          3HG2      VAL  94   7.368  -5.436   5.306
  748    H    ARG  95           H        ARG  95   6.348  -3.902   4.593
  749    HA   ARG  95           HA       ARG  95   5.325  -1.375   5.284
  750   1HB   ARG  95          2HB       ARG  95   6.409  -3.011   7.515
  751   2HB   ARG  95          1HB       ARG  95   6.911  -1.313   7.429
  752   1HG   ARG  95          2HG       ARG  95   5.037  -0.783   8.473
  753   2HG   ARG  95          1HG       ARG  95   4.147  -1.286   7.032
  754   1HD   ARG  95          2HD       ARG  95   3.145  -2.569   8.666
  755   2HD   ARG  95          1HD       ARG  95   4.388  -3.671   8.065
  756    HE   ARG  95           HE       ARG  95   5.592  -2.352  10.126
  757   1HH1  ARG  95          1HH1      ARG  95   2.666  -4.224   9.795
  758   2HH1  ARG  95          2HH1      ARG  95   2.700  -4.799  11.428
  759   1HH2  ARG  95          1HH2      ARG  95   5.639  -3.107  12.276
  760   2HH2  ARG  95          2HH2      ARG  95   4.386  -4.164  12.837
  761    H    ALA  96           H        ALA  96   7.151   0.114   6.006
  762    HA   ALA  96           HA       ALA  96   9.165   0.028   3.982
  763   1HB   ALA  96          1HB       ALA  96   9.267   1.957   6.231
  764   2HB   ALA  96          2HB       ALA  96   7.860   2.001   5.169
  765   3HB   ALA  96          3HB       ALA  96   9.477   2.225   4.500
  766    H    LEU  97           H        LEU  97  11.205  -0.692   4.153
  767    HA   LEU  97           HA       LEU  97  13.131  -1.549   4.997
  768   1HB   LEU  97          2HB       LEU  97  12.341   0.544   6.842
  769   2HB   LEU  97          1HB       LEU  97  13.243  -0.719   7.658
  770    HG   LEU  97           HG       LEU  97  15.025  -0.447   5.888
  771   1HD1  LEU  97          1HD1      LEU  97  13.098   1.618   5.027
  772   2HD1  LEU  97          2HD1      LEU  97  14.247   0.669   4.084
  773   3HD1  LEU  97          3HD1      LEU  97  14.803   2.069   5.001
  774   1HD2  LEU  97          1HD2      LEU  97  14.569   2.094   7.417
  775   2HD2  LEU  97          2HD2      LEU  97  16.090   1.279   7.051
  776   3HD2  LEU  97          3HD2      LEU  97  14.978   0.584   8.231
  777    H    GLN  98           H        GLN  98  14.034  -2.868   6.939
  778    HA   GLN  98           HA       GLN  98  12.443  -5.161   7.223
  779   1HB   GLN  98          2HB       GLN  98  14.165  -5.781   9.001
  780   2HB   GLN  98          1HB       GLN  98  14.775  -5.468   7.381
  781   1HG   GLN  98          2HG       GLN  98  15.905  -3.622   8.013
  782   2HG   GLN  98          1HG       GLN  98  14.699  -3.159   9.213
  783   1HE2  GLN  98          1HE2      GLN  98  17.621  -3.293   9.404
  784   2HE2  GLN  98          2HE2      GLN  98  17.958  -4.347  10.730
  Start of MODEL    9
    1   1H    ARG   1          1HT       ARG   1  13.293   2.205  15.118
    2   2H    ARG   1          2HT       ARG   1  14.076   2.638  13.654
    3   3H    ARG   1          3HT       ARG   1  13.354   1.090  13.817
    4    HA   ARG   1           HA       ARG   1  11.240   1.915  13.749
    5   1HB   ARG   1          2HB       ARG   1  10.745   4.304  13.955
    6   2HB   ARG   1          1HB       ARG   1  11.634   3.726  15.358
    7   1HG   ARG   1          2HG       ARG   1  13.717   4.578  14.063
    8   2HG   ARG   1          1HG       ARG   1  12.537   5.525  13.155
    9   1HD   ARG   1          2HD       ARG   1  12.701   7.042  14.782
   10   2HD   ARG   1          1HD       ARG   1  11.791   5.913  15.784
   11    HE   ARG   1           HE       ARG   1  13.704   5.460  16.963
   12   1HH1  ARG   1          1HH1      ARG   1  14.546   7.164  14.035
   13   2HH1  ARG   1          2HH1      ARG   1  16.199   7.394  14.496
   14   1HH2  ARG   1          1HH2      ARG   1  15.878   5.762  17.570
   15   2HH2  ARG   1          2HH2      ARG   1  16.956   6.598  16.502
   16    H    GLU   2           H        GLU   2  10.878   1.359  11.696
   17    HA   GLU   2           HA       GLU   2  12.104   2.988   9.569
   18   1HB   GLU   2          2HB       GLU   2  10.990   0.208   9.220
   19   2HB   GLU   2          1HB       GLU   2  12.041   1.098   8.128
   20   1HG   GLU   2          2HG       GLU   2  12.908   0.274  10.880
   21   2HG   GLU   2          1HG       GLU   2  13.095  -0.768   9.470
   22    H    TRP   3           H        TRP   3  10.214   4.426  10.207
   23    HA   TRP   3           HA       TRP   3   8.299   4.440   8.194
   24   1HB   TRP   3          2HB       TRP   3   6.238   3.892   9.471
   25   2HB   TRP   3          1HB       TRP   3   7.300   2.497   9.256
   26    HD1  TRP   3           HD       TRP   3   8.579   1.585  11.453
   27    HE1  TRP   3           1HE      TRP   3   8.026   1.823  13.956
   28    HE3  TRP   3           3HE      TRP   3   5.259   5.465  11.189
   29    HZ2  TRP   3           2HZ      TRP   3   6.399   3.442  15.601
   30    HZ3  TRP   3           3HZ      TRP   3   4.249   6.298  13.271
   31    HH2  TRP   3           HH       TRP   3   4.808   5.306  15.431
   32    H    TYR   4           H        TYR   4   8.379   6.602   8.031
   33    HA   TYR   4           HA       TYR   4   8.373   8.279  10.394
   34   1HB   TYR   4          2HB       TYR   4   9.381   8.557   7.812
   35   2HB   TYR   4          1HB       TYR   4   8.025   9.684   7.866
   36    HD1  TYR   4           1HD      TYR   4   8.151  10.534  10.713
   37    HD2  TYR   4           2HD      TYR   4  11.249   9.961   7.854
   38    HE1  TYR   4           1HE      TYR   4   9.551  12.160  11.913
   39    HE2  TYR   4           2HE      TYR   4  12.658  11.584   9.047
   40    HH   TYR   4           HH       TYR   4  11.429  13.597  11.549
   41    H    TYR   5           H        TYR   5   6.635   9.205  11.279
   42    HA   TYR   5           HA       TYR   5   4.516   9.995  11.579
   43   1HB   TYR   5          2HB       TYR   5   4.893  11.046   9.295
   44   2HB   TYR   5          1HB       TYR   5   4.056   9.655   8.614
   45    HD1  TYR   5           1HD      TYR   5   3.291  11.573  11.714
   46    HD2  TYR   5           2HD      TYR   5   2.059  10.521   7.780
   47    HE1  TYR   5           1HE      TYR   5   1.134  12.688  12.098
   48    HE2  TYR   5           2HE      TYR   5  -0.102  11.633   8.153
   49    HH   TYR   5           HH       TYR   5  -0.940  13.552   9.715
   50    H    GLY   6           H        GLY   6   4.368   7.546   8.981
   51   1HA   GLY   6          2HA       GLY   6   3.626   5.321  10.134
   52   2HA   GLY   6          1HA       GLY   6   2.159   6.245  10.392
   53    H    ASN   7           H        ASN   7   3.065   7.486   7.628
   54    HA   ASN   7           HA       ASN   7   2.491   5.324   5.818
   55   1HB   ASN   7          2HB       ASN   7   0.511   7.180   5.078
   56   2HB   ASN   7          1HB       ASN   7   0.270   5.564   5.730
   57   1HD2  ASN   7          1HD2      ASN   7  -0.028   8.904   6.272
   58   2HD2  ASN   7          2HD2      ASN   7  -0.630   8.830   7.890
   59    H    VAL   8           H        VAL   8   4.077   5.731   4.383
   60    HA   VAL   8           HA       VAL   8   3.995   8.222   2.909
   61    HB   VAL   8           HB       VAL   8   6.709   7.470   3.820
   62   1HG1  VAL   8          1HG1      VAL   8   5.273   9.977   3.016
   63   2HG1  VAL   8          2HG1      VAL   8   6.673   9.214   2.263
   64   3HG1  VAL   8          3HG1      VAL   8   6.844  10.029   3.817
   65   1HG2  VAL   8          1HG2      VAL   8   6.489   8.812   5.846
   66   2HG2  VAL   8          2HG2      VAL   8   5.399   7.427   5.882
   67   3HG2  VAL   8          3HG2      VAL   8   4.771   9.034   5.517
   68    H    THR   9           H        THR   9   5.413   8.238   1.037
   69    HA   THR   9           HA       THR   9   6.827   6.055   0.035
   70    HB   THR   9           HB       THR   9   3.913   5.923  -0.367
   71    HG1  THR   9           1HG      THR   9   4.320   3.883  -0.194
   72   1HG2  THR   9          1HG2      THR   9   4.715   6.680  -2.662
   73   2HG2  THR   9          2HG2      THR   9   3.782   5.191  -2.563
   74   3HG2  THR   9          3HG2      THR   9   5.533   5.121  -2.741
   75    H    ARG  10           H        ARG  10   6.897   6.428  -2.613
   76    HA   ARG  10           HA       ARG  10   7.222   7.869  -4.367
   77   1HB   ARG  10          2HB       ARG  10   6.039   9.772  -4.450
   78   2HB   ARG  10          1HB       ARG  10   5.411   9.317  -2.879
   79   1HG   ARG  10          2HG       ARG  10   7.098  10.690  -1.788
   80   2HG   ARG  10          1HG       ARG  10   7.795  11.101  -3.359
   81   1HD   ARG  10          2HD       ARG  10   4.920  11.663  -2.695
   82   2HD   ARG  10          1HD       ARG  10   6.209  12.791  -2.277
   83    HE   ARG  10           HE       ARG  10   6.213  11.986  -5.038
   84   1HH1  ARG  10          1HH1      ARG  10   4.928  14.249  -2.712
   85   2HH1  ARG  10          2HH1      ARG  10   4.583  15.463  -3.897
   86   1HH2  ARG  10          1HH2      ARG  10   5.758  13.582  -6.598
   87   2HH2  ARG  10          2HH2      ARG  10   5.052  15.084  -6.102
   88    H    HIS  11           H        HIS  11   8.173   9.240  -1.253
   89    HA   HIS  11           HA       HIS  11  10.891   9.666  -2.290
   90   1HB   HIS  11          2HB       HIS  11   9.953  11.709  -1.390
   91   2HB   HIS  11          1HB       HIS  11   9.429  10.880   0.072
   92    HD1  HIS  11           1HD      HIS  11  11.972  13.074  -1.037
   93    HD2  HIS  11           2HD      HIS  11  11.898   9.765   1.475
   94    HE1  HIS  11           1HE      HIS  11  14.050  13.250   0.369
   95    HE2  HIS  11           2HE      HIS  11  13.934  11.289   1.945
   96    H    GLN  12           H        GLN  12   8.973   8.421   0.387
   97    HA   GLN  12           HA       GLN  12  11.202   7.120   1.653
   98   1HB   GLN  12          2HB       GLN  12   8.215   7.014   2.096
   99   2HB   GLN  12          1HB       GLN  12   9.348   6.023   3.017
  100   1HG   GLN  12          2HG       GLN  12  10.277   8.698   3.094
  101   2HG   GLN  12          1HG       GLN  12   8.551   8.711   3.467
  102   1HE2  GLN  12          1HE2      GLN  12  11.078   9.091   5.082
  103   2HE2  GLN  12          2HE2      GLN  12  10.873   8.041   6.439
  104    H    ALA  13           H        ALA  13   8.589   6.271  -0.561
  105    HA   ALA  13           HA       ALA  13   8.913   3.476  -0.476
  106   1HB   ALA  13          1HB       ALA  13   8.098   4.944  -2.953
  107   2HB   ALA  13          2HB       ALA  13   7.040   4.852  -1.546
  108   3HB   ALA  13          3HB       ALA  13   7.551   3.376  -2.360
  109    H    GLU  14           H        GLU  14  10.502   5.958  -2.462
  110    HA   GLU  14           HA       GLU  14  11.936   4.095  -4.050
  111   1HB   GLU  14          2HB       GLU  14  13.512   6.115  -4.383
  112   2HB   GLU  14          1HB       GLU  14  11.879   6.213  -5.013
  113   1HG   GLU  14          2HG       GLU  14  11.202   7.559  -3.117
  114   2HG   GLU  14          1HG       GLU  14  12.805   7.378  -2.398
  115    H    CYS  15           H        CYS  15  12.696   5.907  -1.098
  116    HA   CYS  15           HA       CYS  15  15.329   5.031  -0.772
  117   1HB   CYS  15          2HB       CYS  15  14.068   6.790   0.578
  118   2HB   CYS  15          1HB       CYS  15  13.395   5.453   1.504
  119    HG   CYS  15           HG       CYS  15  15.877   4.882   2.243
  120    H    ALA  16           H        ALA  16  12.481   3.188  -0.760
  121    HA   ALA  16           HA       ALA  16  13.782   1.036   0.765
  122   1HB   ALA  16          1HB       ALA  16  11.378   0.169   0.939
  123   2HB   ALA  16          2HB       ALA  16  10.907   1.789   0.427
  124   3HB   ALA  16          3HB       ALA  16  11.829   1.568   1.913
  125    H    LEU  17           H        LEU  17  12.070   1.818  -2.214
  126    HA   LEU  17           HA       LEU  17  12.743  -0.868  -3.216
  127   1HB   LEU  17          2HB       LEU  17  10.671   0.578  -4.701
  128   2HB   LEU  17          1HB       LEU  17  10.749  -1.112  -4.217
  129    HG   LEU  17           HG       LEU  17   9.806   1.210  -2.556
  130   1HD1  LEU  17          1HD1      LEU  17   8.523  -1.055  -3.974
  131   2HD1  LEU  17          2HD1      LEU  17   8.038   0.638  -3.875
  132   3HD1  LEU  17          3HD1      LEU  17   7.793  -0.432  -2.494
  133   1HD2  LEU  17          1HD2      LEU  17   9.339  -1.337  -1.360
  134   2HD2  LEU  17          2HD2      LEU  17  10.185   0.060  -0.700
  135   3HD2  LEU  17          3HD2      LEU  17  11.065  -1.135  -1.654
  136    H    ASN  18           H        ASN  18  13.978   1.975  -3.272
  137    HA   ASN  18           HA       ASN  18  14.114   3.112  -5.738
  138   1HB   ASN  18          2HB       ASN  18  15.476   4.067  -4.041
  139   2HB   ASN  18          1HB       ASN  18  16.346   2.556  -3.774
  140   1HD2  ASN  18          1HD2      ASN  18  16.439   5.545  -5.213
  141   2HD2  ASN  18          2HD2      ASN  18  17.742   5.278  -6.315
  142    H    GLU  19           H        GLU  19  15.416   0.023  -4.751
  143    HA   GLU  19           HA       GLU  19  16.883  -0.434  -7.187
  144   1HB   GLU  19          2HB       GLU  19  17.566  -1.471  -5.056
  145   2HB   GLU  19          1HB       GLU  19  16.056  -2.371  -5.014
  146   1HG   GLU  19          2HG       GLU  19  17.786  -3.822  -5.778
  147   2HG   GLU  19          1HG       GLU  19  16.711  -3.475  -7.131
  148    H    ARG  20           H        ARG  20  13.765  -1.351  -5.837
  149    HA   ARG  20           HA       ARG  20  11.810  -1.830  -6.945
  150   1HB   ARG  20          2HB       ARG  20  13.195  -0.858  -9.035
  151   2HB   ARG  20          1HB       ARG  20  13.085  -2.543  -9.526
  152   1HG   ARG  20          2HG       ARG  20  10.563  -2.274  -9.001
  153   2HG   ARG  20          1HG       ARG  20  10.901  -0.546  -9.122
  154   1HD   ARG  20          2HD       ARG  20  10.113  -1.605 -11.245
  155   2HD   ARG  20          1HD       ARG  20  11.663  -0.776 -11.369
  156    HE   ARG  20           HE       ARG  20  11.909  -3.581 -10.808
  157   1HH1  ARG  20          1HH1      ARG  20  11.533  -1.203 -13.335
  158   2HH1  ARG  20          2HH1      ARG  20  12.228  -2.211 -14.559
  159   1HH2  ARG  20          1HH2      ARG  20  12.823  -4.908 -12.418
  160   2HH2  ARG  20          2HH2      ARG  20  12.959  -4.315 -14.039
  161    H    GLY  21           H        GLY  21  11.372  -3.646  -5.842
  162   1HA   GLY  21          2HA       GLY  21  10.792  -5.947  -6.044
  163   2HA   GLY  21          1HA       GLY  21  12.128  -6.158  -7.162
  164    H    VAL  22           H        VAL  22  11.730  -5.010  -3.796
  165    HA   VAL  22           HA       VAL  22  13.973  -6.786  -3.080
  166    HB   VAL  22           HB       VAL  22  13.945  -5.062  -1.012
  167   1HG1  VAL  22          1HG1      VAL  22  15.382  -4.921  -3.636
  168   2HG1  VAL  22          2HG1      VAL  22  15.965  -5.519  -2.082
  169   3HG1  VAL  22          3HG1      VAL  22  15.735  -3.788  -2.331
  170   1HG2  VAL  22          1HG2      VAL  22  13.396  -3.224  -3.311
  171   2HG2  VAL  22          2HG2      VAL  22  13.434  -2.865  -1.585
  172   3HG2  VAL  22          3HG2      VAL  22  12.095  -3.789  -2.264
  173    H    GLU  23           H        GLU  23  13.440  -8.444  -1.847
  174    HA   GLU  23           HA       GLU  23  12.095  -9.893  -0.687
  175   1HB   GLU  23          2HB       GLU  23  11.480  -8.728   1.631
  176   2HB   GLU  23          1HB       GLU  23  13.111  -9.254   1.241
  177   1HG   GLU  23          2HG       GLU  23  13.734  -7.010   0.621
  178   2HG   GLU  23          1HG       GLU  23  12.080  -6.451   0.860
  179    H    GLY  24           H        GLY  24  10.372  -7.238   0.806
  180   1HA   GLY  24          2HA       GLY  24   8.106  -7.323  -0.941
  181   2HA   GLY  24          1HA       GLY  24   7.843  -8.260   0.529
  182    H    ASP  25           H        ASP  25   8.892  -5.059  -0.582
  183    HA   ASP  25           HA       ASP  25   8.060  -3.899   1.946
  184   1HB   ASP  25          2HB       ASP  25   9.071  -1.857   0.399
  185   2HB   ASP  25          1HB       ASP  25   9.962  -2.787   1.586
  186    H    PHE  26           H        PHE  26   6.257  -2.807   2.209
  187    HA   PHE  26           HA       PHE  26   4.828  -1.681  -0.111
  188   1HB   PHE  26          2HB       PHE  26   3.972  -3.913   1.272
  189   2HB   PHE  26          1HB       PHE  26   3.093  -2.625   2.053
  190    HD1  PHE  26           1HD      PHE  26   1.946  -4.946   0.437
  191    HD2  PHE  26           2HD      PHE  26   2.964  -0.968  -0.619
  192    HE1  PHE  26           1HE      PHE  26   0.241  -4.997  -1.328
  193    HE2  PHE  26           2HE      PHE  26   1.263  -0.999  -2.398
  194    HZ   PHE  26           HZ       PHE  26  -0.106  -3.019  -2.750
  195    H    LEU  27           H        LEU  27   3.908   0.298   0.266
  196    HA   LEU  27           HA       LEU  27   3.560   1.198   2.999
  197   1HB   LEU  27          2HB       LEU  27   4.883   3.376   2.348
  198   2HB   LEU  27          1HB       LEU  27   5.655   1.998   3.106
  199    HG   LEU  27           HG       LEU  27   5.652   2.342   0.120
  200   1HD1  LEU  27          1HD1      LEU  27   8.141   3.111   1.278
  201   2HD1  LEU  27          2HD1      LEU  27   6.863   4.085   1.998
  202   3HD1  LEU  27          3HD1      LEU  27   7.067   4.054   0.250
  203   1HD2  LEU  27          1HD2      LEU  27   6.475   0.261   0.430
  204   2HD2  LEU  27          2HD2      LEU  27   6.937   0.575   2.103
  205   3HD2  LEU  27          3HD2      LEU  27   7.963   1.139   0.783
  206    H    ILE  28           H        ILE  28   2.218   2.895   3.303
  207    HA   ILE  28           HA       ILE  28   0.781   3.913   0.934
  208    HB   ILE  28           HB       ILE  28  -0.631   3.889   3.530
  209   1HG1  ILE  28          2HG1      ILE  28  -1.231   1.405   2.805
  210   2HG1  ILE  28          1HG1      ILE  28   0.439   1.450   2.267
  211   1HG2  ILE  28          1HG2      ILE  28  -1.785   2.646   1.108
  212   2HG2  ILE  28          2HG2      ILE  28  -1.468   4.379   1.047
  213   3HG2  ILE  28          3HG2      ILE  28  -2.517   3.719   2.296
  214   1HD1  ILE  28          1HD1      ILE  28  -0.595   1.241   4.941
  215   2HD1  ILE  28          2HD1      ILE  28   0.525   2.589   4.778
  216   3HD1  ILE  28          3HD1      ILE  28   1.034   0.961   4.333
  217    H    ARG  29           H        ARG  29   0.227   6.111   0.907
  218    HA   ARG  29           HA       ARG  29   1.045   7.708   3.240
  219   1HB   ARG  29          2HB       ARG  29   1.584   9.284   0.958
  220   2HB   ARG  29          1HB       ARG  29   2.728   8.662   2.142
  221   1HG   ARG  29          2HG       ARG  29   3.197   6.775   0.852
  222   2HG   ARG  29          1HG       ARG  29   1.801   7.025  -0.189
  223   1HD   ARG  29          2HD       ARG  29   4.203   8.851  -0.011
  224   2HD   ARG  29          1HD       ARG  29   3.942   7.660  -1.273
  225    HE   ARG  29           HE       ARG  29   2.275   9.002  -2.190
  226   1HH1  ARG  29          1HH1      ARG  29   3.522  10.410   0.757
  227   2HH1  ARG  29          2HH1      ARG  29   2.844  11.971   0.440
  228   1HH2  ARG  29          1HH2      ARG  29   1.385  11.051  -2.599
  229   2HH2  ARG  29          2HH2      ARG  29   1.630  12.335  -1.462
  230    H    ASP  30           H        ASP  30   0.117   9.825   3.357
  231    HA   ASP  30           HA       ASP  30  -2.631   9.836   2.463
  232   1HB   ASP  30          2HB       ASP  30  -1.348  12.198   3.790
  233   2HB   ASP  30          1HB       ASP  30  -2.984  11.575   3.966
  234    H    SER  31           H        SER  31  -3.591  11.367   1.081
  235    HA   SER  31           HA       SER  31  -1.675  12.756  -0.675
  236   1HB   SER  31          2HB       SER  31  -3.551  10.845  -1.369
  237   2HB   SER  31          1HB       SER  31  -4.349  12.361  -1.788
  238    HG   SER  31           HG       SER  31  -2.333  12.890  -2.906
  239    H    GLU  32           H        GLU  32  -2.187  14.823  -1.453
  240    HA   GLU  32           HA       GLU  32  -3.817  16.377   0.384
  241   1HB   GLU  32          2HB       GLU  32  -2.215  17.438  -1.937
  242   2HB   GLU  32          1HB       GLU  32  -2.731  18.298  -0.494
  243   1HG   GLU  32          2HG       GLU  32  -0.853  17.772   0.543
  244   2HG   GLU  32          1HG       GLU  32  -1.141  16.055   0.270
  245    H    SER  33           H        SER  33  -3.865  15.267  -2.918
  246    HA   SER  33           HA       SER  33  -5.640  17.013  -4.109
  247   1HB   SER  33          2HB       SER  33  -6.288  15.090  -5.564
  248   2HB   SER  33          1HB       SER  33  -4.543  15.270  -5.385
  249    HG   SER  33           HG       SER  33  -5.183  13.100  -5.130
  250    H    SER  34           H        SER  34  -6.266  14.524  -1.749
  251    HA   SER  34           HA       SER  34  -9.020  15.470  -1.533
  252   1HB   SER  34          2HB       SER  34  -8.213  12.788  -2.445
  253   2HB   SER  34          1HB       SER  34  -9.407  12.790  -1.146
  254    HG   SER  34           HG       SER  34 -10.679  14.196  -2.452
  255    HA   PRO  35           HA       PRO  35  -8.233  15.180   2.794
  256   1HB   PRO  35          2HB       PRO  35 -10.712  14.681   3.778
  257   2HB   PRO  35          1HB       PRO  35 -10.239  16.255   3.126
  258   1HG   PRO  35          2HG       PRO  35 -11.782  14.048   1.817
  259   2HG   PRO  35          1HG       PRO  35 -12.084  15.795   1.786
  260   1HD   PRO  35          2HD       PRO  35 -10.882  14.487  -0.258
  261   2HD   PRO  35          1HD       PRO  35 -10.493  16.168   0.160
  262    H    SER  36           H        SER  36 -10.121  12.555   1.368
  263    HA   SER  36           HA       SER  36  -8.952  10.717   3.354
  264   1HB   SER  36          2HB       SER  36 -11.559  10.383   1.850
  265   2HB   SER  36          1HB       SER  36 -10.913   9.290   3.072
  266    HG   SER  36           HG       SER  36 -11.495  12.018   3.571
  267    H    ASP  37           H        ASP  37  -7.255  11.133   1.456
  268    HA   ASP  37           HA       ASP  37  -7.634   8.971  -0.510
  269   1HB   ASP  37          2HB       ASP  37  -7.342  11.490  -1.232
  270   2HB   ASP  37          1HB       ASP  37  -5.634  11.152  -0.935
  271    H    PHE  38           H        PHE  38  -6.138   7.392  -0.633
  272    HA   PHE  38           HA       PHE  38  -3.587   7.711   0.750
  273   1HB   PHE  38          2HB       PHE  38  -5.543   5.472   1.315
  274   2HB   PHE  38          1HB       PHE  38  -3.869   5.514   1.881
  275    HD1  PHE  38           1HD      PHE  38  -7.183   6.222   2.739
  276    HD2  PHE  38           2HD      PHE  38  -3.226   7.724   3.177
  277    HE1  PHE  38           1HE      PHE  38  -7.889   7.495   4.725
  278    HE2  PHE  38           2HE      PHE  38  -3.924   8.997   5.163
  279    HZ   PHE  38           HZ       PHE  38  -6.258   8.883   5.940
  280    H    SER  39           H        SER  39  -1.927   6.597  -0.158
  281    HA   SER  39           HA       SER  39  -2.550   4.788  -2.408
  282   1HB   SER  39          2HB       SER  39  -1.565   7.294  -2.755
  283   2HB   SER  39          1HB       SER  39  -0.078   6.360  -2.552
  284    HG   SER  39           HG       SER  39  -2.079   5.462  -4.316
  285    H    VAL  40           H        VAL  40  -1.189   3.005  -2.644
  286    HA   VAL  40           HA       VAL  40   1.210   2.919  -1.030
  287    HB   VAL  40           HB       VAL  40  -0.273   2.052   0.563
  288   1HG1  VAL  40          1HG1      VAL  40  -2.007   1.468  -1.292
  289   2HG1  VAL  40          2HG1      VAL  40  -2.020   0.618   0.254
  290   3HG1  VAL  40          3HG1      VAL  40  -1.289  -0.138  -1.162
  291   1HG2  VAL  40          1HG2      VAL  40   1.753   0.440  -0.551
  292   2HG2  VAL  40          2HG2      VAL  40   0.448  -0.609  -0.004
  293   3HG2  VAL  40          3HG2      VAL  40   1.203   0.515   1.116
  294    H    SER  41           H        SER  41   2.817   1.723  -1.841
  295    HA   SER  41           HA       SER  41   2.271   0.200  -4.304
  296   1HB   SER  41          2HB       SER  41   4.945   1.431  -3.980
  297   2HB   SER  41          1HB       SER  41   3.946   1.256  -5.423
  298    HG   SER  41           HG       SER  41   4.239   3.395  -3.880
  299    H    LEU  42           H        LEU  42   3.237  -1.729  -4.618
  300    HA   LEU  42           HA       LEU  42   5.128  -2.717  -2.584
  301   1HB   LEU  42          2HB       LEU  42   2.751  -3.612  -2.353
  302   2HB   LEU  42          1HB       LEU  42   3.029  -4.457  -3.859
  303    HG   LEU  42           HG       LEU  42   4.950  -5.614  -2.776
  304   1HD1  LEU  42          1HD1      LEU  42   4.061  -5.023  -0.081
  305   2HD1  LEU  42          2HD1      LEU  42   4.687  -3.598  -0.910
  306   3HD1  LEU  42          3HD1      LEU  42   5.690  -5.037  -0.752
  307   1HD2  LEU  42          1HD2      LEU  42   3.522  -7.244  -2.287
  308   2HD2  LEU  42          2HD2      LEU  42   2.211  -6.082  -2.493
  309   3HD2  LEU  42          3HD2      LEU  42   2.901  -6.357  -0.895
  310    H    LYS  43           H        LYS  43   6.428  -4.523  -3.268
  311    HA   LYS  43           HA       LYS  43   7.231  -4.290  -6.053
  312   1HB   LYS  43          2HB       LYS  43   9.121  -5.739  -5.368
  313   2HB   LYS  43          1HB       LYS  43   9.000  -4.285  -4.390
  314   1HG   LYS  43          2HG       LYS  43   9.356  -5.809  -2.747
  315   2HG   LYS  43          1HG       LYS  43   7.597  -5.893  -2.825
  316   1HD   LYS  43          2HD       LYS  43   8.364  -8.131  -2.794
  317   2HD   LYS  43          1HD       LYS  43   7.888  -7.804  -4.459
  318   1HE   LYS  43          2HE       LYS  43  10.639  -7.101  -4.085
  319   2HE   LYS  43          1HE       LYS  43  10.366  -8.747  -3.518
  320   1HZ   LYS  43          1HZ       LYS  43  10.921  -8.814  -5.821
  321   2HZ   LYS  43          2HZ       LYS  43   9.745  -7.663  -6.210
  322   3HZ   LYS  43          3HZ       LYS  43   9.279  -9.200  -5.680
  323    H    ALA  44           H        ALA  44   7.356  -6.091  -7.480
  324    HA   ALA  44           HA       ALA  44   5.803  -8.452  -6.650
  325   1HB   ALA  44          1HB       ALA  44   5.093  -6.535  -8.647
  326   2HB   ALA  44          2HB       ALA  44   4.217  -7.976  -8.132
  327   3HB   ALA  44          3HB       ALA  44   5.411  -8.086  -9.424
  328    H    SER  45           H        SER  45   6.055 -10.076  -8.764
  329    HA   SER  45           HA       SER  45   8.736 -10.951  -8.603
  330   1HB   SER  45          2HB       SER  45   6.333 -11.748 -10.192
  331   2HB   SER  45          1HB       SER  45   7.910 -12.344 -10.710
  332    HG   SER  45           HG       SER  45   6.443 -13.416  -8.905
  333    H    GLY  46           H        GLY  46   9.880  -9.014  -9.183
  334   1HA   GLY  46          2HA       GLY  46  11.320  -8.042 -10.708
  335   2HA   GLY  46          1HA       GLY  46  10.542  -8.943 -11.999
  336    H    LYS  47           H        LYS  47   7.928  -7.832 -10.863
  337    HA   LYS  47           HA       LYS  47   8.079  -5.239 -12.233
  338   1HB   LYS  47          2HB       LYS  47   6.415  -7.416 -12.716
  339   2HB   LYS  47          1HB       LYS  47   5.391  -6.285 -11.841
  340   1HG   LYS  47          2HG       LYS  47   6.921  -4.938 -13.884
  341   2HG   LYS  47          1HG       LYS  47   5.978  -6.269 -14.557
  342   1HD   LYS  47          2HD       LYS  47   4.737  -4.303 -12.665
  343   2HD   LYS  47          1HD       LYS  47   4.888  -3.933 -14.385
  344   1HE   LYS  47          2HE       LYS  47   3.554  -6.403 -13.283
  345   2HE   LYS  47          1HE       LYS  47   2.698  -4.932 -13.744
  346   1HZ   LYS  47          1HZ       LYS  47   3.755  -5.235 -15.996
  347   2HZ   LYS  47          2HZ       LYS  47   2.566  -6.363 -15.580
  348   3HZ   LYS  47          3HZ       LYS  47   4.200  -6.788 -15.492
  349    H    ASN  48           H        ASN  48   6.488  -3.592 -11.459
  350    HA   ASN  48           HA       ASN  48   6.326  -3.676  -8.519
  351   1HB   ASN  48          2HB       ASN  48   5.955  -1.069  -8.999
  352   2HB   ASN  48          1HB       ASN  48   7.560  -1.778  -8.826
  353   1HD2  ASN  48          1HD2      ASN  48   8.417  -0.078 -10.062
  354   2HD2  ASN  48          2HD2      ASN  48   8.249  -0.040 -11.781
  355    H    LYS  49           H        LYS  49   4.392  -3.793  -7.618
  356    HA   LYS  49           HA       LYS  49   2.025  -3.508  -9.293
  357   1HB   LYS  49          2HB       LYS  49   2.037  -4.349  -6.408
  358   2HB   LYS  49          1HB       LYS  49   0.863  -4.735  -7.659
  359   1HG   LYS  49          2HG       LYS  49   3.112  -5.836  -8.698
  360   2HG   LYS  49          1HG       LYS  49   3.388  -6.049  -6.968
  361   1HD   LYS  49          2HD       LYS  49   2.186  -7.936  -7.308
  362   2HD   LYS  49          1HD       LYS  49   0.825  -6.830  -7.114
  363   1HE   LYS  49          2HE       LYS  49   1.203  -6.511  -9.721
  364   2HE   LYS  49          1HE       LYS  49   1.891  -8.131  -9.563
  365   1HZ   LYS  49          1HZ       LYS  49  -0.871  -7.246  -9.272
  366   2HZ   LYS  49          2HZ       LYS  49  -0.354  -8.462  -8.216
  367   3HZ   LYS  49          3HZ       LYS  49  -0.257  -8.699  -9.887
  368    H    HIS  50           H        HIS  50   1.263  -1.495  -9.473
  369    HA   HIS  50           HA       HIS  50   1.493   0.392  -7.276
  370   1HB   HIS  50          2HB       HIS  50   1.722   0.780  -9.909
  371   2HB   HIS  50          1HB       HIS  50  -0.007   1.071  -9.757
  372    HD1  HIS  50           1HD      HIS  50   3.196   2.719  -9.440
  373    HD2  HIS  50           2HD      HIS  50  -0.589   3.199  -7.792
  374    HE1  HIS  50           1HE      HIS  50   3.163   5.051  -8.502
  375    HE2  HIS  50           2HE      HIS  50   0.832   5.352  -7.594
  376    H    PHE  51           H        PHE  51  -0.231   1.335  -6.184
  377    HA   PHE  51           HA       PHE  51  -2.933   0.445  -6.786
  378   1HB   PHE  51          2HB       PHE  51  -1.755  -0.001  -4.040
  379   2HB   PHE  51          1HB       PHE  51  -3.373  -0.432  -4.583
  380    HD1  PHE  51           1HD      PHE  51   0.055  -1.449  -4.347
  381    HD2  PHE  51           2HD      PHE  51  -3.631  -2.222  -6.325
  382    HE1  PHE  51           1HE      PHE  51   0.880  -3.670  -5.004
  383    HE2  PHE  51           2HE      PHE  51  -2.815  -4.446  -6.988
  384    HZ   PHE  51           HZ       PHE  51  -0.556  -5.174  -6.326
  385    H    LYS  52           H        LYS  52  -4.423   1.949  -6.341
  386    HA   LYS  52           HA       LYS  52  -3.609   4.252  -4.691
  387   1HB   LYS  52          2HB       LYS  52  -4.066   4.377  -7.358
  388   2HB   LYS  52          1HB       LYS  52  -5.689   4.666  -6.748
  389   1HG   LYS  52          2HG       LYS  52  -5.001   6.591  -5.555
  390   2HG   LYS  52          1HG       LYS  52  -3.295   6.227  -5.827
  391   1HD   LYS  52          2HD       LYS  52  -4.275   6.318  -8.378
  392   2HD   LYS  52          1HD       LYS  52  -5.242   7.553  -7.569
  393   1HE   LYS  52          2HE       LYS  52  -2.349   7.584  -6.991
  394   2HE   LYS  52          1HE       LYS  52  -2.810   8.008  -8.638
  395   1HZ   LYS  52          1HZ       LYS  52  -3.028  10.038  -7.729
  396   2HZ   LYS  52          2HZ       LYS  52  -3.258   9.452  -6.160
  397   3HZ   LYS  52          3HZ       LYS  52  -4.548   9.464  -7.254
  398    H    VAL  53           H        VAL  53  -4.865   4.639  -2.983
  399    HA   VAL  53           HA       VAL  53  -7.484   3.313  -2.874
  400    HB   VAL  53           HB       VAL  53  -5.898   4.329  -0.517
  401   1HG1  VAL  53          1HG1      VAL  53  -7.373   2.782   0.739
  402   2HG1  VAL  53          2HG1      VAL  53  -8.278   2.500  -0.748
  403   3HG1  VAL  53          3HG1      VAL  53  -8.235   4.111  -0.037
  404   1HG2  VAL  53          1HG2      VAL  53  -4.490   2.643  -0.999
  405   2HG2  VAL  53          2HG2      VAL  53  -5.640   1.861  -2.082
  406   3HG2  VAL  53          3HG2      VAL  53  -5.770   1.625  -0.340
  407    H    GLN  54           H        GLN  54  -9.078   4.661  -3.391
  408    HA   GLN  54           HA       GLN  54  -9.031   7.381  -2.257
  409   1HB   GLN  54          2HB       GLN  54  -8.708   7.107  -4.814
  410   2HB   GLN  54          1HB       GLN  54 -10.426   6.728  -4.835
  411   1HG   GLN  54          2HG       GLN  54  -9.336   9.242  -3.610
  412   2HG   GLN  54          1HG       GLN  54  -9.790   9.122  -5.310
  413   1HE2  GLN  54          1HE2      GLN  54 -12.047   7.942  -5.503
  414   2HE2  GLN  54          2HE2      GLN  54 -13.286   8.645  -4.526
  415    H    LEU  55           H        LEU  55 -10.943   8.222  -1.483
  416    HA   LEU  55           HA       LEU  55 -12.932   6.271  -0.730
  417   1HB   LEU  55          2HB       LEU  55 -12.779   7.498   1.124
  418   2HB   LEU  55          1HB       LEU  55 -11.905   8.765   0.290
  419    HG   LEU  55           HG       LEU  55 -14.019   9.422   1.523
  420   1HD1  LEU  55          1HD1      LEU  55 -13.693  11.228   0.308
  421   2HD1  LEU  55          2HD1      LEU  55 -14.706  10.533  -0.957
  422   3HD1  LEU  55          3HD1      LEU  55 -12.962  10.277  -0.984
  423   1HD2  LEU  55          1HD2      LEU  55 -16.030   8.643   0.972
  424   2HD2  LEU  55          2HD2      LEU  55 -15.174   7.374   0.102
  425   3HD2  LEU  55          3HD2      LEU  55 -15.719   8.812  -0.755
  426    H    VAL  56           H        VAL  56 -14.478   5.805  -2.147
  427    HA   VAL  56           HA       VAL  56 -15.590   7.978  -3.790
  428    HB   VAL  56           HB       VAL  56 -14.675   5.391  -4.502
  429   1HG1  VAL  56          1HG1      VAL  56 -16.892   4.557  -3.919
  430   2HG1  VAL  56          2HG1      VAL  56 -16.615   4.471  -5.657
  431   3HG1  VAL  56          3HG1      VAL  56 -17.628   5.749  -4.988
  432   1HG2  VAL  56          1HG2      VAL  56 -14.720   7.717  -5.693
  433   2HG2  VAL  56          2HG2      VAL  56 -16.238   7.121  -6.364
  434   3HG2  VAL  56          3HG2      VAL  56 -14.741   6.232  -6.643
  435    H    ASP  57           H        ASP  57 -17.705   8.432  -3.739
  436    HA   ASP  57           HA       ASP  57 -19.728   8.676  -2.642
  437   1HB   ASP  57          2HB       ASP  57 -20.107   7.267  -4.644
  438   2HB   ASP  57          1HB       ASP  57 -19.902   5.828  -3.643
  439    H    ASN  58           H        ASN  58 -18.269   8.477  -0.532
  440    HA   ASN  58           HA       ASN  58 -18.201   7.856   1.663
  441   1HB   ASN  58          2HB       ASN  58 -20.657   8.246   1.475
  442   2HB   ASN  58          1HB       ASN  58 -20.865   6.541   1.086
  443   1HD2  ASN  58          1HD2      ASN  58 -21.008   5.104   2.692
  444   2HD2  ASN  58          2HD2      ASN  58 -20.809   5.473   4.368
  445    H    VAL  59           H        VAL  59 -17.112   6.118  -0.414
  446    HA   VAL  59           HA       VAL  59 -17.050   3.612   1.110
  447    HB   VAL  59           HB       VAL  59 -18.109   3.825  -1.443
  448   1HG1  VAL  59          1HG1      VAL  59 -15.454   2.445  -1.734
  449   2HG1  VAL  59          2HG1      VAL  59 -15.738   4.103  -2.261
  450   3HG1  VAL  59          3HG1      VAL  59 -16.652   2.780  -2.984
  451   1HG2  VAL  59          1HG2      VAL  59 -18.170   1.397  -1.387
  452   2HG2  VAL  59          2HG2      VAL  59 -18.542   2.066   0.201
  453   3HG2  VAL  59          3HG2      VAL  59 -16.948   1.381  -0.117
  454    H    TYR  60           H        TYR  60 -15.046   2.287   0.433
  455    HA   TYR  60           HA       TYR  60 -12.780   4.139   0.090
  456   1HB   TYR  60          2HB       TYR  60 -12.715   1.629   1.756
  457   2HB   TYR  60          1HB       TYR  60 -11.530   2.935   1.714
  458    HD1  TYR  60           1HD      TYR  60 -14.462   1.663   3.307
  459    HD2  TYR  60           2HD      TYR  60 -12.278   5.234   2.577
  460    HE1  TYR  60           1HE      TYR  60 -15.617   2.743   5.188
  461    HE2  TYR  60           2HE      TYR  60 -13.424   6.328   4.457
  462    HH   TYR  60           HH       TYR  60 -15.463   6.111   5.746
  463    H    CYS  61           H        CYS  61 -12.212   3.798  -1.971
  464    HA   CYS  61           HA       CYS  61 -12.091   1.080  -3.017
  465   1HB   CYS  61          2HB       CYS  61 -12.285   1.992  -5.120
  466   2HB   CYS  61          1HB       CYS  61 -13.092   3.232  -4.170
  467    HG   CYS  61           HG       CYS  61 -10.217   3.552  -5.317
  468    H    ILE  62           H        ILE  62 -10.276   0.225  -4.059
  469    HA   ILE  62           HA       ILE  62  -7.699   1.556  -3.638
  470    HB   ILE  62           HB       ILE  62  -8.114  -1.349  -2.916
  471   1HG1  ILE  62          2HG1      ILE  62  -7.495   0.853  -0.965
  472   2HG1  ILE  62          1HG1      ILE  62  -9.163   0.416  -1.354
  473   1HG2  ILE  62          1HG2      ILE  62  -5.767   0.353  -3.298
  474   2HG2  ILE  62          2HG2      ILE  62  -5.898  -1.404  -3.265
  475   3HG2  ILE  62          3HG2      ILE  62  -5.772  -0.502  -1.755
  476   1HD1  ILE  62          1HD1      ILE  62  -7.854  -1.985  -0.785
  477   2HD1  ILE  62          2HD1      ILE  62  -9.035  -1.134   0.212
  478   3HD1  ILE  62          3HD1      ILE  62  -7.311  -0.834   0.435
  479    H    GLY  63           H        GLY  63  -6.262   1.213  -5.263
  480   1HA   GLY  63          2HA       GLY  63  -5.546   0.660  -7.379
  481   2HA   GLY  63          1HA       GLY  63  -6.133  -0.957  -7.000
  482    H    GLN  64           H        GLN  64  -8.263  -1.540  -7.599
  483    HA   GLN  64           HA       GLN  64  -9.783   0.308  -9.253
  484   1HB   GLN  64          2HB       GLN  64  -8.437  -2.165 -10.280
  485   2HB   GLN  64          1HB       GLN  64  -9.968  -1.655 -10.978
  486   1HG   GLN  64          2HG       GLN  64  -7.459   0.004 -10.841
  487   2HG   GLN  64          1HG       GLN  64  -8.067  -0.840 -12.266
  488   1HE2  GLN  64          1HE2      GLN  64 -10.503  -0.291 -12.646
  489   2HE2  GLN  64          2HE2      GLN  64 -10.864   1.399 -12.646
  490    H    ARG  65           H        ARG  65 -10.321  -0.757  -6.722
  491    HA   ARG  65           HA       ARG  65 -12.811  -2.162  -7.270
  492   1HB   ARG  65          2HB       ARG  65 -10.584  -3.260  -5.571
  493   2HB   ARG  65          1HB       ARG  65 -12.259  -3.707  -5.273
  494   1HG   ARG  65          2HG       ARG  65 -11.813  -4.029  -8.036
  495   2HG   ARG  65          1HG       ARG  65 -10.429  -4.741  -7.205
  496   1HD   ARG  65          2HD       ARG  65 -11.641  -6.514  -6.640
  497   2HD   ARG  65          1HD       ARG  65 -12.826  -5.485  -5.837
  498    HE   ARG  65           HE       ARG  65 -13.048  -6.687  -8.439
  499   1HH1  ARG  65          1HH1      ARG  65 -14.154  -4.093  -6.381
  500   2HH1  ARG  65          2HH1      ARG  65 -15.645  -3.885  -7.237
  501   1HH2  ARG  65          1HH2      ARG  65 -15.005  -6.411  -9.565
  502   2HH2  ARG  65          2HH2      ARG  65 -16.129  -5.201  -9.043
  503    H    ARG  66           H        ARG  66 -14.168  -2.305  -5.218
  504    HA   ARG  66           HA       ARG  66 -13.690   0.088  -3.577
  505   1HB   ARG  66          2HB       ARG  66 -16.399  -1.118  -4.022
  506   2HB   ARG  66          1HB       ARG  66 -15.978   0.512  -3.534
  507   1HG   ARG  66          2HG       ARG  66 -15.690  -0.700  -6.267
  508   2HG   ARG  66          1HG       ARG  66 -16.789   0.588  -5.773
  509   1HD   ARG  66          2HD       ARG  66 -15.100   2.159  -5.641
  510   2HD   ARG  66          1HD       ARG  66 -13.837   0.942  -5.440
  511    HE   ARG  66           HE       ARG  66 -14.580   0.393  -7.899
  512   1HH1  ARG  66          1HH1      ARG  66 -14.123   3.535  -6.435
  513   2HH1  ARG  66          2HH1      ARG  66 -13.706   4.302  -7.929
  514   1HH2  ARG  66          1HH2      ARG  66 -14.026   1.407  -9.855
  515   2HH2  ARG  66          2HH2      ARG  66 -13.648   3.097  -9.867
  516    H    PHE  67           H        PHE  67 -13.578  -0.153  -1.451
  517    HA   PHE  67           HA       PHE  67 -14.576  -2.615  -0.219
  518   1HB   PHE  67          2HB       PHE  67 -11.849  -1.456   0.355
  519   2HB   PHE  67          1HB       PHE  67 -12.522  -2.967   0.967
  520    HD1  PHE  67           1HD      PHE  67 -10.240  -1.728  -1.253
  521    HD2  PHE  67           2HD      PHE  67 -13.480  -4.482  -1.109
  522    HE1  PHE  67           1HE      PHE  67  -9.304  -2.925  -3.189
  523    HE2  PHE  67           2HE      PHE  67 -12.550  -5.684  -3.043
  524    HZ   PHE  67           HZ       PHE  67 -10.460  -4.906  -4.086
  525    H    HIS  68           H        HIS  68 -14.778  -2.489   2.141
  526    HA   HIS  68           HA       HIS  68 -15.676   0.175   2.921
  527   1HB   HIS  68          2HB       HIS  68 -16.945  -0.903   4.633
  528   2HB   HIS  68          1HB       HIS  68 -17.143  -1.842   3.160
  529    HD1  HIS  68           1HD      HIS  68 -14.029  -2.981   3.956
  530    HD2  HIS  68           2HD      HIS  68 -17.688  -3.442   5.871
  531    HE1  HIS  68           1HE      HIS  68 -13.789  -5.042   5.376
  532    HE2  HIS  68           2HE      HIS  68 -15.977  -5.236   6.610
  533    H    THR  69           H        THR  69 -12.891  -0.180   2.815
  534    HA   THR  69           HA       THR  69 -12.215   0.525   5.545
  535    HB   THR  69           HB       THR  69 -11.967  -1.977   5.311
  536    HG1  THR  69           1HG      THR  69 -10.691  -1.517   6.895
  537   1HG2  THR  69          1HG2      THR  69 -11.110  -2.210   3.101
  538   2HG2  THR  69          2HG2      THR  69  -9.883  -2.769   4.235
  539   3HG2  THR  69          3HG2      THR  69  -9.724  -1.186   3.474
  540    H    MET  70           H        MET  70 -10.079   1.617   5.692
  541    HA   MET  70           HA       MET  70  -8.537   2.093   3.358
  542   1HB   MET  70          2HB       MET  70 -10.859   3.524   3.356
  543   2HB   MET  70          1HB       MET  70  -9.754   4.655   4.120
  544   1HG   MET  70          2HG       MET  70  -8.199   4.276   2.184
  545   2HG   MET  70          1HG       MET  70  -9.512   3.394   1.408
  546   1HE   MET  70          1HE       MET  70 -10.621   6.973   3.405
  547   2HE   MET  70          2HE       MET  70  -9.291   7.759   2.554
  548   3HE   MET  70          3HE       MET  70  -8.980   6.353   3.573
  549    H    ASP  71           H        ASP  71  -6.590   2.294   4.160
  550    HA   ASP  71           HA       ASP  71  -4.793   3.200   5.251
  551   1HB   ASP  71          2HB       ASP  71  -6.338   5.294   5.256
  552   2HB   ASP  71          1HB       ASP  71  -6.559   4.912   6.963
  553    H    GLU  72           H        GLU  72  -7.552   2.047   6.987
  554    HA   GLU  72           HA       GLU  72  -5.897   1.416   9.323
  555   1HB   GLU  72          2HB       GLU  72  -8.707   1.989   8.917
  556   2HB   GLU  72          1HB       GLU  72  -8.506   0.444   9.733
  557   1HG   GLU  72          2HG       GLU  72  -8.744   2.207  11.351
  558   2HG   GLU  72          1HG       GLU  72  -7.115   1.537  11.431
  559    H    LEU  73           H        LEU  73  -7.216   0.139   6.489
  560    HA   LEU  73           HA       LEU  73  -7.384  -2.586   7.222
  561   1HB   LEU  73          2HB       LEU  73  -7.561  -3.028   4.829
  562   2HB   LEU  73          1HB       LEU  73  -8.626  -1.739   5.336
  563    HG   LEU  73           HG       LEU  73  -7.880  -0.523   3.625
  564   1HD1  LEU  73          1HD1      LEU  73  -5.795   0.579   3.666
  565   2HD1  LEU  73          2HD1      LEU  73  -5.075  -0.668   4.668
  566   3HD1  LEU  73          3HD1      LEU  73  -6.297   0.403   5.339
  567   1HD2  LEU  73          1HD2      LEU  73  -6.299  -1.315   2.040
  568   2HD2  LEU  73          2HD2      LEU  73  -7.249  -2.690   2.605
  569   3HD2  LEU  73          3HD2      LEU  73  -5.611  -2.439   3.210
  570    H    VAL  74           H        VAL  74  -4.734  -0.576   6.563
  571    HA   VAL  74           HA       VAL  74  -3.058  -2.613   5.482
  572    HB   VAL  74           HB       VAL  74  -1.798  -0.367   6.935
  573   1HG1  VAL  74          1HG1      VAL  74  -1.342  -1.091   4.077
  574   2HG1  VAL  74          2HG1      VAL  74  -0.830  -2.219   5.332
  575   3HG1  VAL  74          3HG1      VAL  74  -0.182  -0.582   5.304
  576   1HG2  VAL  74          1HG2      VAL  74  -2.290   1.255   5.177
  577   2HG2  VAL  74          2HG2      VAL  74  -3.780   0.724   5.944
  578   3HG2  VAL  74          3HG2      VAL  74  -3.327   0.086   4.365
  579    H    GLU  75           H        GLU  75  -4.298  -2.034   8.526
  580    HA   GLU  75           HA       GLU  75  -2.154  -2.829  10.190
  581   1HB   GLU  75          2HB       GLU  75  -4.505  -1.789  10.760
  582   2HB   GLU  75          1HB       GLU  75  -4.993  -3.473  10.889
  583   1HG   GLU  75          2HG       GLU  75  -4.426  -2.741  13.063
  584   2HG   GLU  75          1HG       GLU  75  -3.126  -3.801  12.519
  585    H    HIS  76           H        HIS  76  -4.975  -4.677   9.040
  586    HA   HIS  76           HA       HIS  76  -3.310  -7.100   9.092
  587   1HB   HIS  76          2HB       HIS  76  -5.194  -8.407   9.915
  588   2HB   HIS  76          1HB       HIS  76  -4.831  -7.102  11.039
  589    HD1  HIS  76           1HD      HIS  76  -7.509  -8.484   8.933
  590    HD2  HIS  76           2HD      HIS  76  -6.751  -4.955  10.992
  591    HE1  HIS  76           1HE      HIS  76  -9.729  -7.317   9.108
  592    HE2  HIS  76           2HE      HIS  76  -9.261  -5.225  10.430
  593    H    TYR  77           H        TYR  77  -4.569  -5.048   7.087
  594    HA   TYR  77           HA       TYR  77  -5.368  -5.031   4.988
  595   1HB   TYR  77          2HB       TYR  77  -4.792  -7.803   4.342
  596   2HB   TYR  77          1HB       TYR  77  -4.176  -6.310   3.631
  597    HD1  TYR  77           1HD      TYR  77  -2.364  -5.059   5.036
  598    HD2  TYR  77           2HD      TYR  77  -3.359  -9.163   5.558
  599    HE1  TYR  77           1HE      TYR  77  -0.185  -5.445   6.111
  600    HE2  TYR  77           2HE      TYR  77  -1.184  -9.559   6.635
  601    HH   TYR  77           HH       TYR  77   1.100  -8.490   6.621
  602    H    LYS  78           H        LYS  78  -7.526  -4.825   5.690
  603    HA   LYS  78           HA       LYS  78  -9.249  -7.087   5.983
  604   1HB   LYS  78          2HB       LYS  78 -10.386  -4.486   5.074
  605   2HB   LYS  78          1HB       LYS  78 -10.966  -5.586   6.311
  606   1HG   LYS  78          2HG       LYS  78  -8.521  -4.543   7.253
  607   2HG   LYS  78          1HG       LYS  78  -9.439  -3.187   6.593
  608   1HD   LYS  78          2HD       LYS  78 -11.408  -4.027   7.936
  609   2HD   LYS  78          1HD       LYS  78 -10.284  -5.126   8.737
  610   1HE   LYS  78          2HE       LYS  78 -10.263  -2.114   8.752
  611   2HE   LYS  78          1HE       LYS  78 -10.499  -3.202  10.123
  612   1HZ   LYS  78          1HZ       LYS  78  -8.084  -2.196   9.035
  613   2HZ   LYS  78          2HZ       LYS  78  -8.062  -3.886   9.024
  614   3HZ   LYS  78          3HZ       LYS  78  -8.330  -3.053  10.471
  615    H    LYS  79           H        LYS  79  -9.267  -4.565   3.487
  616    HA   LYS  79           HA       LYS  79  -9.604  -6.633   1.436
  617   1HB   LYS  79          2HB       LYS  79 -11.248  -4.165   1.889
  618   2HB   LYS  79          1HB       LYS  79 -11.041  -4.801   0.263
  619   1HG   LYS  79          2HG       LYS  79 -12.760  -6.136   0.665
  620   2HG   LYS  79          1HG       LYS  79 -11.714  -7.013   1.785
  621   1HD   LYS  79          2HD       LYS  79 -12.743  -6.179   3.598
  622   2HD   LYS  79          1HD       LYS  79 -12.921  -4.574   2.886
  623   1HE   LYS  79          2HE       LYS  79 -15.048  -5.939   3.370
  624   2HE   LYS  79          1HE       LYS  79 -14.905  -5.136   1.808
  625   1HZ   LYS  79          1HZ       LYS  79 -14.013  -7.925   2.105
  626   2HZ   LYS  79          2HZ       LYS  79 -14.561  -7.120   0.722
  627   3HZ   LYS  79          3HZ       LYS  79 -15.661  -7.589   1.918
  628    H    ALA  80           H        ALA  80  -7.221  -6.101   1.654
  629    HA   ALA  80           HA       ALA  80  -6.406  -3.657   0.289
  630   1HB   ALA  80          1HB       ALA  80  -5.151  -4.044   2.237
  631   2HB   ALA  80          2HB       ALA  80  -4.090  -4.488   0.901
  632   3HB   ALA  80          3HB       ALA  80  -4.900  -5.743   1.838
  633    HA   PRO  81           HA       PRO  81  -5.545  -5.409  -3.672
  634   1HB   PRO  81          2HB       PRO  81  -3.036  -4.346  -4.148
  635   2HB   PRO  81          1HB       PRO  81  -4.560  -3.482  -4.414
  636   1HG   PRO  81          2HG       PRO  81  -2.673  -3.352  -2.100
  637   2HG   PRO  81          1HG       PRO  81  -3.569  -2.040  -2.892
  638   1HD   PRO  81          2HD       PRO  81  -4.365  -3.066  -0.545
  639   2HD   PRO  81          1HD       PRO  81  -5.539  -2.548  -1.769
  640    H    ILE  82           H        ILE  82  -4.083  -6.390  -0.951
  641    HA   ILE  82           HA       ILE  82  -1.766  -7.663  -1.709
  642    HB   ILE  82           HB       ILE  82  -3.732  -8.340   0.472
  643   1HG1  ILE  82          2HG1      ILE  82  -1.108  -6.851   0.662
  644   2HG1  ILE  82          1HG1      ILE  82  -2.635  -6.035   0.345
  645   1HG2  ILE  82          1HG2      ILE  82  -1.459  -9.800  -0.450
  646   2HG2  ILE  82          2HG2      ILE  82  -2.518 -10.152   0.914
  647   3HG2  ILE  82          3HG2      ILE  82  -1.097  -9.134   1.142
  648   1HD1  ILE  82          1HD1      ILE  82  -2.703  -5.800   2.551
  649   2HD1  ILE  82          2HD1      ILE  82  -1.554  -7.107   2.836
  650   3HD1  ILE  82          3HD1      ILE  82  -3.251  -7.476   2.547
  651    H    PHE  83           H        PHE  83  -1.310  -9.623  -2.462
  652    HA   PHE  83           HA       PHE  83  -3.500 -11.478  -3.087
  653   1HB   PHE  83          2HB       PHE  83  -3.198 -10.002  -5.058
  654   2HB   PHE  83          1HB       PHE  83  -1.526 -10.551  -5.180
  655    HD1  PHE  83           1HD      PHE  83  -1.027 -12.867  -5.829
  656    HD2  PHE  83           2HD      PHE  83  -5.004 -11.354  -5.810
  657    HE1  PHE  83           1HE      PHE  83  -1.747 -14.755  -7.233
  658    HE2  PHE  83           2HE      PHE  83  -5.732 -13.239  -7.212
  659    HZ   PHE  83           HZ       PHE  83  -4.103 -14.943  -7.926
  660    H    THR  84           H        THR  84  -2.840 -13.638  -3.637
  661    HA   THR  84           HA       THR  84  -0.402 -14.385  -2.242
  662    HB   THR  84           HB       THR  84  -2.479 -16.200  -3.465
  663    HG1  THR  84           1HG      THR  84  -3.642 -15.200  -1.977
  664   1HG2  THR  84          1HG2      THR  84  -1.046 -16.988  -1.036
  665   2HG2  THR  84          2HG2      THR  84  -0.061 -16.904  -2.495
  666   3HG2  THR  84          3HG2      THR  84  -1.494 -17.933  -2.455
  667    H    SER  85           H        SER  85   1.427 -14.492  -3.313
  668    HA   SER  85           HA       SER  85   1.431 -15.558  -6.056
  669   1HB   SER  85          2HB       SER  85   2.021 -13.074  -5.748
  670   2HB   SER  85          1HB       SER  85   3.509 -13.649  -4.995
  671    HG   SER  85           HG       SER  85   4.201 -13.743  -6.977
  672    H    GLU  86           H        GLU  86   3.551 -16.547  -6.676
  673    HA   GLU  86           HA       GLU  86   5.093 -18.193  -6.381
  674   1HB   GLU  86          2HB       GLU  86   6.233 -16.288  -5.253
  675   2HB   GLU  86          1HB       GLU  86   5.561 -16.836  -3.726
  676   1HG   GLU  86          2HG       GLU  86   6.910 -19.000  -5.034
  677   2HG   GLU  86          1HG       GLU  86   7.974 -17.599  -4.916
  678    H    HIS  87           H        HIS  87   2.475 -18.909  -5.690
  679    HA   HIS  87           HA       HIS  87   1.460 -20.791  -4.899
  680   1HB   HIS  87          2HB       HIS  87   3.875 -21.412  -3.210
  681   2HB   HIS  87          1HB       HIS  87   2.652 -22.520  -3.820
  682    HD1  HIS  87           1HD      HIS  87   3.057 -20.892  -6.744
  683    HD2  HIS  87           2HD      HIS  87   5.731 -23.181  -4.539
  684    HE1  HIS  87           1HE      HIS  87   4.791 -21.671  -8.390
  685    HE2  HIS  87           2HE      HIS  87   6.442 -22.991  -7.018
  686    H    GLY  88           H        GLY  88   3.489 -19.843  -2.095
  687   1HA   GLY  88          2HA       GLY  88   0.949 -19.366  -0.656
  688   2HA   GLY  88          1HA       GLY  88   2.343 -20.131   0.089
  689    H    GLU  89           H        GLU  89   3.266 -17.544  -1.935
  690    HA   GLU  89           HA       GLU  89   3.845 -15.957   0.433
  691   1HB   GLU  89          2HB       GLU  89   5.625 -15.216  -0.700
  692   2HB   GLU  89          1HB       GLU  89   5.226 -16.397  -1.932
  693   1HG   GLU  89          2HG       GLU  89   5.447 -14.482  -3.171
  694   2HG   GLU  89          1HG       GLU  89   3.711 -14.504  -2.878
  695    H    LYS  90           H        LYS  90   3.126 -13.798   0.723
  696    HA   LYS  90           HA       LYS  90   0.813 -13.091  -0.956
  697   1HB   LYS  90          2HB       LYS  90   1.054 -13.337   1.986
  698   2HB   LYS  90          1HB       LYS  90   0.116 -11.972   1.383
  699   1HG   LYS  90          2HG       LYS  90  -1.471 -13.630   1.681
  700   2HG   LYS  90          1HG       LYS  90  -1.112 -13.725  -0.045
  701   1HD   LYS  90          2HD       LYS  90  -0.132 -15.758   0.154
  702   2HD   LYS  90          1HD       LYS  90   0.522 -15.403   1.754
  703   1HE   LYS  90          2HE       LYS  90  -1.084 -16.923   2.308
  704   2HE   LYS  90          1HE       LYS  90  -2.009 -15.437   2.445
  705   1HZ   LYS  90          1HZ       LYS  90  -2.485 -15.978  -0.072
  706   2HZ   LYS  90          2HZ       LYS  90  -3.418 -16.649   1.168
  707   3HZ   LYS  90          3HZ       LYS  90  -2.191 -17.562   0.446
  708    H    LEU  91           H        LEU  91   0.659 -11.078  -1.671
  709    HA   LEU  91           HA       LEU  91   2.796  -9.179  -1.196
  710   1HB   LEU  91          2HB       LEU  91   0.223  -8.635  -2.666
  711   2HB   LEU  91          1HB       LEU  91   1.785  -7.889  -2.919
  712    HG   LEU  91           HG       LEU  91   1.397 -10.800  -3.486
  713   1HD1  LEU  91          1HD1      LEU  91   0.417 -10.442  -5.501
  714   2HD1  LEU  91          2HD1      LEU  91   1.097  -8.824  -5.671
  715   3HD1  LEU  91          3HD1      LEU  91  -0.286  -9.092  -4.610
  716   1HD2  LEU  91          1HD2      LEU  91   3.349 -10.622  -4.674
  717   2HD2  LEU  91          2HD2      LEU  91   3.633  -9.433  -3.403
  718   3HD2  LEU  91          3HD2      LEU  91   3.120  -8.905  -5.005
  719    H    TYR  92           H        TYR  92   2.499  -8.724   1.025
  720    HA   TYR  92           HA       TYR  92  -0.083  -7.608   1.825
  721   1HB   TYR  92          2HB       TYR  92   0.883  -7.876   4.163
  722   2HB   TYR  92          1HB       TYR  92   0.527  -9.354   3.269
  723    HD1  TYR  92           1HD      TYR  92   3.263  -7.089   4.322
  724    HD2  TYR  92           2HD      TYR  92   2.233 -10.910   2.761
  725    HE1  TYR  92           1HE      TYR  92   5.578  -7.845   4.661
  726    HE2  TYR  92           2HE      TYR  92   4.545 -11.677   3.097
  727    HH   TYR  92           HH       TYR  92   7.103  -9.522   3.872
  728    H    LEU  93           H        LEU  93  -0.341  -5.667   2.785
  729    HA   LEU  93           HA       LEU  93   1.528  -3.624   2.125
  730   1HB   LEU  93          2HB       LEU  93  -0.870  -3.375   3.922
  731   2HB   LEU  93          1HB       LEU  93  -0.068  -2.093   3.029
  732    HG   LEU  93           HG       LEU  93  -1.386  -4.373   1.584
  733   1HD1  LEU  93          1HD1      LEU  93  -3.193  -3.645   2.863
  734   2HD1  LEU  93          2HD1      LEU  93  -3.334  -2.717   1.369
  735   3HD1  LEU  93          3HD1      LEU  93  -2.667  -1.962   2.817
  736   1HD2  LEU  93          1HD2      LEU  93   0.184  -2.459   0.632
  737   2HD2  LEU  93          2HD2      LEU  93  -1.335  -1.566   0.639
  738   3HD2  LEU  93          3HD2      LEU  93  -1.202  -3.072  -0.269
  739    H    VAL  94           H        VAL  94   3.330  -4.620   3.368
  740    HA   VAL  94           HA       VAL  94   3.251  -4.600   6.212
  741    HB   VAL  94           HB       VAL  94   4.780  -6.091   5.208
  742   1HG1  VAL  94          1HG1      VAL  94   6.782  -4.521   4.024
  743   2HG1  VAL  94          2HG1      VAL  94   5.237  -3.976   3.372
  744   3HG1  VAL  94          3HG1      VAL  94   5.694  -5.674   3.252
  745   1HG2  VAL  94          1HG2      VAL  94   6.285  -5.821   6.812
  746   2HG2  VAL  94          2HG2      VAL  94   5.618  -4.216   7.104
  747   3HG2  VAL  94          3HG2      VAL  94   6.973  -4.419   5.994
  748    H    ARG  95           H        ARG  95   6.023  -2.958   4.975
  749    HA   ARG  95           HA       ARG  95   5.105  -0.302   5.253
  750   1HB   ARG  95          2HB       ARG  95   6.236  -1.601   7.676
  751   2HB   ARG  95          1HB       ARG  95   6.774   0.045   7.297
  752   1HG   ARG  95          2HG       ARG  95   4.967   0.763   8.358
  753   2HG   ARG  95          1HG       ARG  95   4.018   0.144   7.001
  754   1HD   ARG  95          2HD       ARG  95   3.050  -1.335   8.347
  755   2HD   ARG  95          1HD       ARG  95   4.626  -2.033   8.730
  756    HE   ARG  95           HE       ARG  95   4.593  -0.927  10.739
  757   1HH1  ARG  95          1HH1      ARG  95   2.102   0.385   8.677
  758   2HH1  ARG  95          2HH1      ARG  95   1.380   1.327   9.937
  759   1HH2  ARG  95          1HH2      ARG  95   3.644   0.314  12.399
  760   2HH2  ARG  95          2HH2      ARG  95   2.255   1.287  12.049
  761    H    ALA  96           H        ALA  96   7.026   1.204   5.647
  762    HA   ALA  96           HA       ALA  96   8.923   0.693   3.574
  763   1HB   ALA  96          1HB       ALA  96   9.800   2.949   4.665
  764   2HB   ALA  96          2HB       ALA  96   8.192   2.916   5.389
  765   3HB   ALA  96          3HB       ALA  96   8.370   2.899   3.634
  766    H    LEU  97           H        LEU  97  10.723  -0.470   3.855
  767    HA   LEU  97           HA       LEU  97  12.019  -0.442   6.502
  768   1HB   LEU  97          2HB       LEU  97  12.848  -2.646   6.063
  769   2HB   LEU  97          1HB       LEU  97  11.116  -2.637   5.795
  770    HG   LEU  97           HG       LEU  97  12.022  -2.141   3.278
  771   1HD1  LEU  97          1HD1      LEU  97  13.811  -3.948   2.986
  772   2HD1  LEU  97          2HD1      LEU  97  14.098  -3.758   4.716
  773   3HD1  LEU  97          3HD1      LEU  97  14.316  -2.386   3.629
  774   1HD2  LEU  97          1HD2      LEU  97  10.337  -3.788   3.957
  775   2HD2  LEU  97          2HD2      LEU  97  11.619  -4.855   4.529
  776   3HD2  LEU  97          3HD2      LEU  97  11.495  -4.467   2.814
  777    H    GLN  98           H        GLN  98  14.448  -1.204   6.188
  778    HA   GLN  98           HA       GLN  98  15.606   0.641   4.212
  779   1HB   GLN  98          2HB       GLN  98  16.112   1.189   6.545
  780   2HB   GLN  98          1HB       GLN  98  16.776  -0.421   6.791
  781   1HG   GLN  98          2HG       GLN  98  18.043   0.873   4.555
  782   2HG   GLN  98          1HG       GLN  98  18.137   1.877   6.000
  783   1HE2  GLN  98          1HE2      GLN  98  19.206  -0.985   4.436
  784   2HE2  GLN  98          2HE2      GLN  98  20.339  -1.487   5.641
  Start of MODEL   10
    1   1H    ARG   1          1HT       ARG   1   8.877   4.047  12.941
    2   2H    ARG   1          2HT       ARG   1   9.606   3.304  14.306
    3   3H    ARG   1          3HT       ARG   1  10.228   3.012  12.733
    4    HA   ARG   1           HA       ARG   1  10.376   5.433  14.371
    5   1HB   ARG   1          2HB       ARG   1  12.050   3.339  14.105
    6   2HB   ARG   1          1HB       ARG   1  12.610   4.325  12.761
    7   1HG   ARG   1          2HG       ARG   1  12.978   6.197  14.297
    8   2HG   ARG   1          1HG       ARG   1  12.440   5.188  15.641
    9   1HD   ARG   1          2HD       ARG   1  14.291   3.717  15.382
   10   2HD   ARG   1          1HD       ARG   1  14.742   4.454  13.846
   11    HE   ARG   1           HE       ARG   1  14.784   6.298  16.043
   12   1HH1  ARG   1          1HH1      ARG   1  16.609   3.859  14.341
   13   2HH1  ARG   1          2HH1      ARG   1  18.145   4.477  14.845
   14   1HH2  ARG   1          1HH2      ARG   1  16.805   7.115  16.707
   15   2HH2  ARG   1          2HH2      ARG   1  18.257   6.326  16.189
   16    H    GLU   2           H        GLU   2  11.450   4.336  11.150
   17    HA   GLU   2           HA       GLU   2  10.631   6.959  10.084
   18   1HB   GLU   2          2HB       GLU   2  13.214   6.027  10.245
   19   2HB   GLU   2          1HB       GLU   2  12.757   5.581   8.607
   20   1HG   GLU   2          2HG       GLU   2  13.330   7.643   8.029
   21   2HG   GLU   2          1HG       GLU   2  11.850   8.169   8.829
   22    H    TRP   3           H        TRP   3   8.859   4.856  10.116
   23    HA   TRP   3           HA       TRP   3   8.906   3.773   7.388
   24   1HB   TRP   3          2HB       TRP   3   7.025   2.978   9.614
   25   2HB   TRP   3          1HB       TRP   3   7.372   2.099   8.120
   26    HD1  TRP   3           HD       TRP   3  10.645   2.481   8.496
   27    HE1  TRP   3           1HE      TRP   3  11.815   0.909  10.165
   28    HE3  TRP   3           3HE      TRP   3   6.587   1.068  11.267
   29    HZ2  TRP   3           2HZ      TRP   3  11.112  -0.716  12.364
   30    HZ3  TRP   3           3HZ      TRP   3   6.922  -0.499  13.135
   31    HH2  TRP   3           HH       TRP   3   9.139  -1.371  13.671
   32    H    TYR   4           H        TYR   4   6.768   5.439   9.684
   33    HA   TYR   4           HA       TYR   4   5.232   6.437   7.379
   34   1HB   TYR   4          2HB       TYR   4   3.224   6.444   8.834
   35   2HB   TYR   4          1HB       TYR   4   3.872   4.824   8.575
   36    HD1  TYR   4           1HD      TYR   4   2.758   7.153  10.990
   37    HD2  TYR   4           2HD      TYR   4   5.486   3.938  10.425
   38    HE1  TYR   4           1HE      TYR   4   2.851   6.812  13.423
   39    HE2  TYR   4           2HE      TYR   4   5.587   3.588  12.856
   40    HH   TYR   4           HH       TYR   4   4.191   4.049  14.841
   41    H    TYR   5           H        TYR   5   6.339   8.374   7.256
   42    HA   TYR   5           HA       TYR   5   6.147  10.153   9.597
   43   1HB   TYR   5          2HB       TYR   5   8.306   9.568   7.845
   44   2HB   TYR   5          1HB       TYR   5   7.827  11.232   7.536
   45    HD1  TYR   5           1HD      TYR   5  10.280   9.676   9.051
   46    HD2  TYR   5           2HD      TYR   5   7.027  12.169  10.191
   47    HE1  TYR   5           1HE      TYR   5  11.539  10.399  11.034
   48    HE2  TYR   5           2HE      TYR   5   8.277  12.901  12.179
   49    HH   TYR   5           HH       TYR   5  11.535  12.458  12.570
   50    H    GLY   6           H        GLY   6   6.536  12.586   8.228
   51   1HA   GLY   6          2HA       GLY   6   3.946  13.298   7.524
   52   2HA   GLY   6          1HA       GLY   6   5.374  14.213   7.076
   53    H    ASN   7           H        ASN   7   6.350  11.757   5.685
   54    HA   ASN   7           HA       ASN   7   4.536  11.473   3.438
   55   1HB   ASN   7          2HB       ASN   7   7.358  12.519   3.083
   56   2HB   ASN   7          1HB       ASN   7   6.247  12.094   1.784
   57   1HD2  ASN   7          1HD2      ASN   7   4.636  13.488   1.221
   58   2HD2  ASN   7          2HD2      ASN   7   4.489  15.084   1.865
   59    H    VAL   8           H        VAL   8   4.911   9.572   2.272
   60    HA   VAL   8           HA       VAL   8   6.969   7.822   3.411
   61    HB   VAL   8           HB       VAL   8   4.374   6.763   2.338
   62   1HG1  VAL   8          1HG1      VAL   8   4.961   4.842   3.774
   63   2HG1  VAL   8          2HG1      VAL   8   6.465   5.653   4.209
   64   3HG1  VAL   8          3HG1      VAL   8   6.180   5.160   2.541
   65   1HG2  VAL   8          1HG2      VAL   8   4.847   7.110   5.268
   66   2HG2  VAL   8          2HG2      VAL   8   3.328   6.930   4.389
   67   3HG2  VAL   8          3HG2      VAL   8   4.208   8.456   4.325
   68    H    THR   9           H        THR   9   6.173   9.324   0.557
   69    HA   THR   9           HA       THR   9   7.698   7.279  -0.880
   70    HB   THR   9           HB       THR   9   6.443   7.732  -2.965
   71    HG1  THR   9           1HG      THR   9   4.647   8.915  -2.944
   72   1HG2  THR   9          1HG2      THR   9   5.362   6.355  -0.632
   73   2HG2  THR   9          2HG2      THR   9   5.644   5.778  -2.274
   74   3HG2  THR   9          3HG2      THR   9   4.197   6.718  -1.905
   75    H    ARG  10           H        ARG  10   8.298   8.212  -3.158
   76    HA   ARG  10           HA       ARG  10   9.543   9.671  -4.354
   77   1HB   ARG  10          2HB       ARG  10   7.837  11.292  -3.996
   78   2HB   ARG  10          1HB       ARG  10   8.369  11.575  -2.357
   79   1HG   ARG  10          2HG       ARG  10  10.358  12.669  -3.107
   80   2HG   ARG  10          1HG       ARG  10  10.027  12.214  -4.783
   81   1HD   ARG  10          2HD       ARG  10   8.573  13.897  -5.078
   82   2HD   ARG  10          1HD       ARG  10   7.854  13.686  -3.483
   83    HE   ARG  10           HE       ARG  10  10.424  14.816  -3.230
   84   1HH1  ARG  10          1HH1      ARG  10   7.198  15.624  -4.279
   85   2HH1  ARG  10          2HH1      ARG  10   7.362  17.307  -3.906
   86   1HH2  ARG  10          1HH2      ARG  10  10.643  17.032  -2.736
   87   2HH2  ARG  10          2HH2      ARG  10   9.316  18.106  -3.031
   88    H    HIS  11           H        HIS  11   9.740  10.099  -0.860
   89    HA   HIS  11           HA       HIS  11  12.669  10.178  -1.059
   90   1HB   HIS  11          2HB       HIS  11  11.711  12.199  -0.051
   91   2HB   HIS  11          1HB       HIS  11  10.867  11.216   1.141
   92    HD1  HIS  11           1HD      HIS  11  14.510  11.071   0.063
   93    HD2  HIS  11           2HD      HIS  11  12.189  11.724   3.446
   94    HE1  HIS  11           1HE      HIS  11  16.140  11.280   1.965
   95    HE2  HIS  11           2HE      HIS  11  14.718  11.786   3.983
   96    H    GLN  12           H        GLN  12   9.991   9.000   1.007
   97    HA   GLN  12           HA       GLN  12  11.709   7.123   2.337
   98   1HB   GLN  12          2HB       GLN  12   8.703   7.382   2.414
   99   2HB   GLN  12          1HB       GLN  12   9.683   6.404   3.505
  100   1HG   GLN  12          2HG       GLN  12   9.196   8.348   4.699
  101   2HG   GLN  12          1HG       GLN  12  10.853   8.560   4.132
  102   1HE2  GLN  12          1HE2      GLN  12  10.185  10.825   4.703
  103   2HE2  GLN  12          2HE2      GLN  12   9.492  11.774   3.436
  104    H    ALA  13           H        ALA  13   9.010   6.869   0.020
  105    HA   ALA  13           HA       ALA  13   8.835   4.145  -0.212
  106   1HB   ALA  13          1HB       ALA  13   7.987   4.479  -2.462
  107   2HB   ALA  13          2HB       ALA  13   8.663   6.108  -2.492
  108   3HB   ALA  13          3HB       ALA  13   7.366   5.712  -1.373
  109    H    GLU  14           H        GLU  14  11.238   6.263  -1.747
  110    HA   GLU  14           HA       GLU  14  12.494   4.082  -3.137
  111   1HB   GLU  14          2HB       GLU  14  14.438   5.838  -3.245
  112   2HB   GLU  14          1HB       GLU  14  13.003   6.049  -4.229
  113   1HG   GLU  14          2HG       GLU  14  12.127   7.667  -2.672
  114   2HG   GLU  14          1HG       GLU  14  13.474   7.370  -1.568
  115    H    CYS  15           H        CYS  15  12.951   5.841  -0.118
  116    HA   CYS  15           HA       CYS  15  15.385   4.584   0.596
  117   1HB   CYS  15          2HB       CYS  15  15.254   5.828   2.482
  118   2HB   CYS  15          1HB       CYS  15  13.914   6.616   1.662
  119    HG   CYS  15           HG       CYS  15  12.262   5.325   3.134
  120    H    ALA  16           H        ALA  16  12.340   3.256   0.154
  121    HA   ALA  16           HA       ALA  16  12.920   1.081   2.033
  122   1HB   ALA  16          1HB       ALA  16  10.406   0.610   1.774
  123   2HB   ALA  16          2HB       ALA  16  10.324   2.234   1.091
  124   3HB   ALA  16          3HB       ALA  16  10.896   2.000   2.743
  125    H    LEU  17           H        LEU  17  11.977   1.822  -1.277
  126    HA   LEU  17           HA       LEU  17  12.416  -1.026  -1.907
  127   1HB   LEU  17          2HB       LEU  17  10.998   0.508  -3.964
  128   2HB   LEU  17          1HB       LEU  17  10.677  -1.099  -3.330
  129    HG   LEU  17           HG       LEU  17   9.695   1.541  -2.290
  130   1HD1  LEU  17          1HD1      LEU  17   8.603  -0.007  -4.135
  131   2HD1  LEU  17          2HD1      LEU  17   7.632   0.859  -2.944
  132   3HD1  LEU  17          3HD1      LEU  17   7.999  -0.849  -2.707
  133   1HD2  LEU  17          1HD2      LEU  17   8.629  -0.536  -0.730
  134   2HD2  LEU  17          2HD2      LEU  17   9.697   0.765  -0.211
  135   3HD2  LEU  17          3HD2      LEU  17  10.376  -0.769  -0.744
  136    H    ASN  18           H        ASN  18  13.645   2.031  -2.150
  137    HA   ASN  18           HA       ASN  18  15.308   3.022  -3.342
  138   1HB   ASN  18          2HB       ASN  18  16.587   1.152  -2.646
  139   2HB   ASN  18          1HB       ASN  18  15.867   0.120  -3.868
  140   1HD2  ASN  18          1HD2      ASN  18  18.328   2.374  -3.135
  141   2HD2  ASN  18          2HD2      ASN  18  19.103   2.383  -4.679
  142    H    GLU  19           H        GLU  19  12.836   1.470  -4.884
  143    HA   GLU  19           HA       GLU  19  12.760   3.062  -7.115
  144   1HB   GLU  19          2HB       GLU  19  14.782   1.081  -7.405
  145   2HB   GLU  19          1HB       GLU  19  13.466   0.648  -8.487
  146   1HG   GLU  19          2HG       GLU  19  14.503   3.447  -8.439
  147   2HG   GLU  19          1HG       GLU  19  15.370   2.191  -9.320
  148    H    ARG  20           H        ARG  20  12.503  -0.485  -6.945
  149    HA   ARG  20           HA       ARG  20  10.012  -1.017  -6.211
  150   1HB   ARG  20          2HB       ARG  20   8.663  -0.993  -8.390
  151   2HB   ARG  20          1HB       ARG  20   8.887   0.543  -7.569
  152   1HG   ARG  20          2HG       ARG  20   9.606   1.362  -9.497
  153   2HG   ARG  20          1HG       ARG  20  11.047   0.362  -9.307
  154   1HD   ARG  20          2HD       ARG  20   9.694  -1.501 -10.398
  155   2HD   ARG  20          1HD       ARG  20   8.536  -0.248 -10.842
  156    HE   ARG  20           HE       ARG  20   9.952   0.370 -12.514
  157   1HH1  ARG  20          1HH1      ARG  20  11.805  -1.326 -10.092
  158   2HH1  ARG  20          2HH1      ARG  20  13.276  -1.275 -11.002
  159   1HH2  ARG  20          1HH2      ARG  20  11.889   0.438 -13.714
  160   2HH2  ARG  20          2HH2      ARG  20  13.325  -0.274 -13.058
  161    H    GLY  21           H        GLY  21  10.172  -3.152  -6.075
  162   1HA   GLY  21          2HA       GLY  21  10.023  -5.258  -7.348
  163   2HA   GLY  21          1HA       GLY  21  11.259  -4.606  -8.411
  164    H    VAL  22           H        VAL  22  11.226  -4.428  -4.881
  165    HA   VAL  22           HA       VAL  22  13.324  -6.450  -4.710
  166    HB   VAL  22           HB       VAL  22  14.769  -4.930  -3.410
  167   1HG1  VAL  22          1HG1      VAL  22  14.149  -3.940  -6.184
  168   2HG1  VAL  22          2HG1      VAL  22  15.202  -5.297  -5.783
  169   3HG1  VAL  22          3HG1      VAL  22  15.647  -3.662  -5.296
  170   1HG2  VAL  22          1HG2      VAL  22  14.335  -2.458  -3.665
  171   2HG2  VAL  22          2HG2      VAL  22  13.250  -3.320  -2.573
  172   3HG2  VAL  22          3HG2      VAL  22  12.708  -2.890  -4.197
  173    H    GLU  23           H        GLU  23  12.846  -7.745  -3.035
  174    HA   GLU  23           HA       GLU  23  11.847  -8.547  -1.137
  175   1HB   GLU  23          2HB       GLU  23  13.266  -6.056  -0.393
  176   2HB   GLU  23          1HB       GLU  23  12.125  -6.673   0.793
  177   1HG   GLU  23          2HG       GLU  23  13.430  -8.938   0.236
  178   2HG   GLU  23          1HG       GLU  23  14.708  -7.774  -0.110
  179    H    GLY  24           H        GLY  24   9.736  -8.801  -0.694
  180   1HA   GLY  24          2HA       GLY  24   7.673  -7.251  -1.540
  181   2HA   GLY  24          1HA       GLY  24   7.564  -8.290  -0.124
  182    H    ASP  25           H        ASP  25   8.227  -5.014  -1.240
  183    HA   ASP  25           HA       ASP  25   7.796  -4.050   1.489
  184   1HB   ASP  25          2HB       ASP  25   8.998  -2.002   0.498
  185   2HB   ASP  25          1HB       ASP  25   9.966  -3.398   0.923
  186    H    PHE  26           H        PHE  26   6.037  -2.841   1.813
  187    HA   PHE  26           HA       PHE  26   4.798  -1.473  -0.478
  188   1HB   PHE  26          2HB       PHE  26   3.712  -3.689   0.738
  189   2HB   PHE  26          1HB       PHE  26   2.890  -2.376   1.549
  190    HD1  PHE  26           1HD      PHE  26   1.709  -4.530  -0.301
  191    HD2  PHE  26           2HD      PHE  26   3.011  -0.545  -0.984
  192    HE1  PHE  26           1HE      PHE  26   0.145  -4.353  -2.187
  193    HE2  PHE  26           2HE      PHE  26   1.449  -0.356  -2.874
  194    HZ   PHE  26           HZ       PHE  26   0.011  -2.259  -3.478
  195    H    LEU  27           H        LEU  27   4.155   0.538  -0.096
  196    HA   LEU  27           HA       LEU  27   3.909   1.454   2.674
  197   1HB   LEU  27          2HB       LEU  27   5.212   3.546   2.006
  198   2HB   LEU  27          1HB       LEU  27   6.117   2.084   2.358
  199    HG   LEU  27           HG       LEU  27   5.639   2.054  -0.426
  200   1HD1  LEU  27          1HD1      LEU  27   6.099   4.102  -1.270
  201   2HD1  LEU  27          2HD1      LEU  27   6.988   4.612   0.163
  202   3HD1  LEU  27          3HD1      LEU  27   5.226   4.581   0.186
  203   1HD2  LEU  27          1HD2      LEU  27   7.585   1.150   0.785
  204   2HD2  LEU  27          2HD2      LEU  27   8.131   2.799   1.092
  205   3HD2  LEU  27          3HD2      LEU  27   8.047   2.191  -0.561
  206    H    ILE  28           H        ILE  28   2.052   2.461   2.905
  207    HA   ILE  28           HA       ILE  28   0.881   3.810   0.570
  208    HB   ILE  28           HB       ILE  28  -0.474   1.947   1.410
  209   1HG1  ILE  28          2HG1      ILE  28  -1.746   4.623   2.006
  210   2HG1  ILE  28          1HG1      ILE  28  -1.577   3.914   0.398
  211   1HG2  ILE  28          1HG2      ILE  28   0.142   3.109   3.953
  212   2HG2  ILE  28          2HG2      ILE  28  -0.489   1.514   3.553
  213   3HG2  ILE  28          3HG2      ILE  28  -1.594   2.874   3.753
  214   1HD1  ILE  28          1HD1      ILE  28  -3.752   3.660   2.017
  215   2HD1  ILE  28          2HD1      ILE  28  -2.883   2.158   2.331
  216   3HD1  ILE  28          3HD1      ILE  28  -3.345   2.581   0.683
  217    H    ARG  29           H        ARG  29   0.324   5.917   0.676
  218    HA   ARG  29           HA       ARG  29   0.432   7.297   3.264
  219   1HB   ARG  29          2HB       ARG  29   1.711   9.131   1.806
  220   2HB   ARG  29          1HB       ARG  29   2.562   7.870   2.695
  221   1HG   ARG  29          2HG       ARG  29   2.915   6.592   0.754
  222   2HG   ARG  29          1HG       ARG  29   1.740   7.529  -0.171
  223   1HD   ARG  29          2HD       ARG  29   4.096   8.913   0.984
  224   2HD   ARG  29          1HD       ARG  29   4.320   7.925  -0.430
  225    HE   ARG  29           HE       ARG  29   3.013   9.406  -1.673
  226   1HH1  ARG  29          1HH1      ARG  29   3.206  10.390   1.677
  227   2HH1  ARG  29          2HH1      ARG  29   2.595  11.979   1.369
  228   1HH2  ARG  29          1HH2      ARG  29   2.194  11.488  -2.065
  229   2HH2  ARG  29          2HH2      ARG  29   2.013  12.599  -0.749
  230    H    ASP  30           H        ASP  30  -0.541   9.423   3.257
  231    HA   ASP  30           HA       ASP  30  -2.911   9.547   1.693
  232   1HB   ASP  30          2HB       ASP  30  -1.725  11.842   3.255
  233   2HB   ASP  30          1HB       ASP  30  -3.420  11.552   2.876
  234    H    SER  31           H        SER  31  -3.526  11.248   0.218
  235    HA   SER  31           HA       SER  31  -1.245  12.497  -1.163
  236   1HB   SER  31          2HB       SER  31  -2.395  10.440  -2.301
  237   2HB   SER  31          1HB       SER  31  -3.667  11.598  -2.689
  238    HG   SER  31           HG       SER  31  -1.867  12.920  -3.557
  239    H    GLU  32           H        GLU  32  -1.496  14.579  -1.807
  240    HA   GLU  32           HA       GLU  32  -2.337  16.690  -1.873
  241   1HB   GLU  32          2HB       GLU  32  -4.887  15.139  -2.325
  242   2HB   GLU  32          1HB       GLU  32  -4.796  16.892  -2.420
  243   1HG   GLU  32          2HG       GLU  32  -3.302  16.787  -4.274
  244   2HG   GLU  32          1HG       GLU  32  -3.122  15.042  -4.097
  245    H    SER  33           H        SER  33  -2.019  15.406   0.677
  246    HA   SER  33           HA       SER  33  -2.559  15.621   2.881
  247   1HB   SER  33          2HB       SER  33  -3.489  17.971   3.448
  248   2HB   SER  33          1HB       SER  33  -1.886  17.860   2.722
  249    HG   SER  33           HG       SER  33  -2.653  18.635   0.860
  250    H    SER  34           H        SER  34  -4.570  14.385   1.183
  251    HA   SER  34           HA       SER  34  -7.043  15.174   2.558
  252   1HB   SER  34          2HB       SER  34  -6.720  14.891  -0.084
  253   2HB   SER  34          1HB       SER  34  -7.108  13.218   0.315
  254    HG   SER  34           HG       SER  34  -9.098  13.863   0.342
  255    HA   PRO  35           HA       PRO  35  -6.604  11.419   4.926
  256   1HB   PRO  35          2HB       PRO  35  -8.936  11.525   6.262
  257   2HB   PRO  35          1HB       PRO  35  -7.602  12.628   6.620
  258   1HG   PRO  35          2HG       PRO  35 -10.063  13.102   4.979
  259   2HG   PRO  35          1HG       PRO  35  -9.299  14.160   6.180
  260   1HD   PRO  35          2HD       PRO  35  -8.955  14.454   3.491
  261   2HD   PRO  35          1HD       PRO  35  -7.734  14.930   4.687
  262    H    SER  36           H        SER  36  -8.835  11.962   2.435
  263    HA   SER  36           HA       SER  36 -10.046   9.309   2.692
  264   1HB   SER  36          2HB       SER  36 -11.109  10.515   0.416
  265   2HB   SER  36          1HB       SER  36 -11.861  10.441   2.007
  266    HG   SER  36           HG       SER  36 -11.180  12.588   0.733
  267    H    ASP  37           H        ASP  37  -7.692  11.056   0.859
  268    HA   ASP  37           HA       ASP  37  -7.594   8.956  -1.180
  269   1HB   ASP  37          2HB       ASP  37  -6.587  11.768  -1.018
  270   2HB   ASP  37          1HB       ASP  37  -5.768  10.630  -2.095
  271    H    PHE  38           H        PHE  38  -5.976   7.523  -1.326
  272    HA   PHE  38           HA       PHE  38  -3.529   7.929   0.202
  273   1HB   PHE  38          2HB       PHE  38  -5.517   5.739   0.655
  274   2HB   PHE  38          1HB       PHE  38  -3.795   5.400   0.872
  275    HD1  PHE  38           1HD      PHE  38  -6.718   7.075   2.205
  276    HD2  PHE  38           2HD      PHE  38  -2.509   6.599   2.588
  277    HE1  PHE  38           1HE      PHE  38  -6.817   8.071   4.453
  278    HE2  PHE  38           2HE      PHE  38  -2.595   7.593   4.837
  279    HZ   PHE  38           HZ       PHE  38  -4.753   8.331   5.773
  280    H    SER  39           H        SER  39  -1.749   6.822  -0.579
  281    HA   SER  39           HA       SER  39  -2.135   5.278  -3.049
  282   1HB   SER  39          2HB       SER  39  -0.554   7.759  -2.654
  283   2HB   SER  39          1HB       SER  39   0.219   6.483  -3.593
  284    HG   SER  39           HG       SER  39  -0.921   7.620  -5.060
  285    H    VAL  40           H        VAL  40  -0.765   3.525  -3.286
  286    HA   VAL  40           HA       VAL  40   1.418   3.272  -1.379
  287    HB   VAL  40           HB       VAL  40  -0.564   2.325  -0.275
  288   1HG1  VAL  40          1HG1      VAL  40  -0.541   0.305  -2.487
  289   2HG1  VAL  40          2HG1      VAL  40  -1.800   1.497  -2.152
  290   3HG1  VAL  40          3HG1      VAL  40  -1.490   0.195  -1.004
  291   1HG2  VAL  40          1HG2      VAL  40   1.952   0.990  -0.719
  292   2HG2  VAL  40          2HG2      VAL  40   0.670  -0.140  -0.278
  293   3HG2  VAL  40          3HG2      VAL  40   1.044   1.218   0.772
  294    H    SER  41           H        SER  41   3.131   2.101  -2.080
  295    HA   SER  41           HA       SER  41   2.890   0.897  -4.767
  296   1HB   SER  41          2HB       SER  41   4.978   2.670  -3.567
  297   2HB   SER  41          1HB       SER  41   5.455   1.501  -4.797
  298    HG   SER  41           HG       SER  41   4.835   3.056  -6.088
  299    H    LEU  42           H        LEU  42   3.729  -1.091  -5.141
  300    HA   LEU  42           HA       LEU  42   5.292  -2.369  -3.003
  301   1HB   LEU  42          2HB       LEU  42   2.864  -3.017  -2.951
  302   2HB   LEU  42          1HB       LEU  42   3.098  -3.773  -4.512
  303    HG   LEU  42           HG       LEU  42   4.878  -5.197  -3.410
  304   1HD1  LEU  42          1HD1      LEU  42   5.388  -4.963  -1.250
  305   2HD1  LEU  42          2HD1      LEU  42   3.695  -4.854  -0.779
  306   3HD1  LEU  42          3HD1      LEU  42   4.551  -3.417  -1.336
  307   1HD2  LEU  42          1HD2      LEU  42   2.295  -5.687  -2.034
  308   2HD2  LEU  42          2HD2      LEU  42   3.342  -6.802  -2.913
  309   3HD2  LEU  42          3HD2      LEU  42   2.317  -5.671  -3.797
  310    H    LYS  43           H        LYS  43   6.475  -4.258  -3.664
  311    HA   LYS  43           HA       LYS  43   7.432  -4.035  -6.419
  312   1HB   LYS  43          2HB       LYS  43   9.364  -5.293  -5.655
  313   2HB   LYS  43          1HB       LYS  43   9.084  -3.934  -4.579
  314   1HG   LYS  43          2HG       LYS  43   9.259  -5.407  -2.930
  315   2HG   LYS  43          1HG       LYS  43   7.655  -5.960  -3.399
  316   1HD   LYS  43          2HD       LYS  43   9.655  -7.159  -5.087
  317   2HD   LYS  43          1HD       LYS  43  10.048  -7.434  -3.389
  318   1HE   LYS  43          2HE       LYS  43   7.262  -7.842  -3.722
  319   2HE   LYS  43          1HE       LYS  43   8.094  -8.729  -4.997
  320   1HZ   LYS  43          1HZ       LYS  43   7.922  -9.314  -2.217
  321   2HZ   LYS  43          2HZ       LYS  43   9.536  -9.235  -2.716
  322   3HZ   LYS  43          3HZ       LYS  43   8.463 -10.292  -3.486
  323    H    ALA  44           H        ALA  44   8.350  -6.409  -7.080
  324    HA   ALA  44           HA       ALA  44   6.729  -8.635  -6.404
  325   1HB   ALA  44          1HB       ALA  44   5.412  -6.915  -8.077
  326   2HB   ALA  44          2HB       ALA  44   5.089  -8.643  -7.934
  327   3HB   ALA  44          3HB       ALA  44   6.147  -8.048  -9.212
  328    H    SER  45           H        SER  45   6.968 -10.279  -8.517
  329    HA   SER  45           HA       SER  45   9.736 -10.848  -8.595
  330   1HB   SER  45          2HB       SER  45   7.645 -12.396  -9.017
  331   2HB   SER  45          1HB       SER  45   7.874 -11.908 -10.696
  332    HG   SER  45           HG       SER  45   9.440 -13.287 -10.786
  333    H    GLY  46           H        GLY  46  10.585  -8.797  -9.263
  334   1HA   GLY  46          2HA       GLY  46  11.702  -7.575 -10.859
  335   2HA   GLY  46          1HA       GLY  46  11.083  -8.670 -12.089
  336    H    LYS  47           H        LYS  47   8.375  -7.886 -10.637
  337    HA   LYS  47           HA       LYS  47   7.907  -5.531 -12.326
  338   1HB   LYS  47          2HB       LYS  47   6.541  -7.994 -12.151
  339   2HB   LYS  47          1HB       LYS  47   5.476  -6.790 -11.440
  340   1HG   LYS  47          2HG       LYS  47   6.601  -5.754 -13.856
  341   2HG   LYS  47          1HG       LYS  47   5.898  -7.344 -14.161
  342   1HD   LYS  47          2HD       LYS  47   4.452  -5.133 -12.713
  343   2HD   LYS  47          1HD       LYS  47   4.328  -5.400 -14.453
  344   1HE   LYS  47          2HE       LYS  47   3.699  -7.823 -13.784
  345   2HE   LYS  47          1HE       LYS  47   3.372  -7.124 -12.199
  346   1HZ   LYS  47          1HZ       LYS  47   1.594  -5.961 -12.973
  347   2HZ   LYS  47          2HZ       LYS  47   1.520  -7.281 -14.028
  348   3HZ   LYS  47          3HZ       LYS  47   2.203  -5.822 -14.546
  349    H    ASN  48           H        ASN  48   6.189  -4.043 -11.537
  350    HA   ASN  48           HA       ASN  48   6.215  -3.829  -8.598
  351   1HB   ASN  48          2HB       ASN  48   6.246  -1.393  -8.815
  352   2HB   ASN  48          1HB       ASN  48   7.645  -2.100  -9.623
  353   1HD2  ASN  48          1HD2      ASN  48   7.361  -2.493 -11.987
  354   2HD2  ASN  48          2HD2      ASN  48   6.517  -1.290 -12.895
  355    H    LYS  49           H        LYS  49   4.301  -3.196  -7.605
  356    HA   LYS  49           HA       LYS  49   1.937  -3.343  -9.342
  357   1HB   LYS  49          2HB       LYS  49   2.070  -3.756  -6.355
  358   2HB   LYS  49          1HB       LYS  49   0.703  -4.089  -7.409
  359   1HG   LYS  49          2HG       LYS  49   2.726  -5.584  -8.523
  360   2HG   LYS  49          1HG       LYS  49   3.024  -5.719  -6.789
  361   1HD   LYS  49          2HD       LYS  49   1.552  -7.446  -7.068
  362   2HD   LYS  49          1HD       LYS  49   0.416  -6.138  -6.730
  363   1HE   LYS  49          2HE       LYS  49   1.234  -6.715  -9.544
  364   2HE   LYS  49          1HE       LYS  49   0.020  -7.727  -8.757
  365   1HZ   LYS  49          1HZ       LYS  49  -1.281  -5.726  -8.312
  366   2HZ   LYS  49          2HZ       LYS  49  -1.020  -5.934  -9.970
  367   3HZ   LYS  49          3HZ       LYS  49  -0.128  -4.780  -9.113
  368    H    HIS  50           H        HIS  50   0.843  -1.548  -9.725
  369    HA   HIS  50           HA       HIS  50   1.330   0.849  -8.190
  370   1HB   HIS  50          2HB       HIS  50  -0.437   1.803  -9.777
  371   2HB   HIS  50          1HB       HIS  50   1.064   1.243 -10.504
  372    HD1  HIS  50           1HD      HIS  50   0.946  -0.893 -11.972
  373    HD2  HIS  50           2HD      HIS  50  -2.723   0.356 -10.474
  374    HE1  HIS  50           1HE      HIS  50  -0.782  -2.175 -13.273
  375    HE2  HIS  50           2HE      HIS  50  -2.996  -1.339 -12.408
  376    H    PHE  51           H        PHE  51  -0.268   1.993  -6.983
  377    HA   PHE  51           HA       PHE  51  -2.764   0.587  -6.439
  378   1HB   PHE  51          2HB       PHE  51  -0.621   0.046  -4.863
  379   2HB   PHE  51          1HB       PHE  51  -1.349   1.392  -3.997
  380    HD1  PHE  51           1HD      PHE  51  -3.624   1.208  -3.106
  381    HD2  PHE  51           2HD      PHE  51  -1.658  -2.090  -4.935
  382    HE1  PHE  51           1HE      PHE  51  -5.250  -0.321  -2.087
  383    HE2  PHE  51           2HE      PHE  51  -3.284  -3.628  -3.919
  384    HZ   PHE  51           HZ       PHE  51  -5.085  -2.745  -2.492
  385    H    LYS  52           H        LYS  52  -4.343   2.008  -6.440
  386    HA   LYS  52           HA       LYS  52  -3.856   4.693  -5.331
  387   1HB   LYS  52          2HB       LYS  52  -4.323   4.259  -7.967
  388   2HB   LYS  52          1HB       LYS  52  -5.970   4.431  -7.373
  389   1HG   LYS  52          2HG       LYS  52  -5.622   6.619  -6.665
  390   2HG   LYS  52          1HG       LYS  52  -3.866   6.445  -6.689
  391   1HD   LYS  52          2HD       LYS  52  -3.924   7.413  -8.700
  392   2HD   LYS  52          1HD       LYS  52  -4.621   5.906  -9.298
  393   1HE   LYS  52          2HE       LYS  52  -6.179   8.265  -8.245
  394   2HE   LYS  52          1HE       LYS  52  -5.951   7.867  -9.947
  395   1HZ   LYS  52          1HZ       LYS  52  -7.297   6.013  -9.780
  396   2HZ   LYS  52          2HZ       LYS  52  -8.091   7.116  -8.773
  397   3HZ   LYS  52          3HZ       LYS  52  -7.132   5.897  -8.099
  398    H    VAL  53           H        VAL  53  -5.122   5.142  -3.660
  399    HA   VAL  53           HA       VAL  53  -7.645   3.650  -3.383
  400    HB   VAL  53           HB       VAL  53  -5.848   4.611  -1.149
  401   1HG1  VAL  53          1HG1      VAL  53  -8.435   4.341  -0.836
  402   2HG1  VAL  53          2HG1      VAL  53  -7.315   3.721   0.378
  403   3HG1  VAL  53          3HG1      VAL  53  -8.038   2.624  -0.794
  404   1HG2  VAL  53          1HG2      VAL  53  -5.262   2.296  -0.808
  405   2HG2  VAL  53          2HG2      VAL  53  -4.883   2.759  -2.468
  406   3HG2  VAL  53          3HG2      VAL  53  -6.323   1.801  -2.126
  407    H    GLN  54           H        GLN  54  -9.272   4.985  -3.819
  408    HA   GLN  54           HA       GLN  54  -9.251   7.692  -2.630
  409   1HB   GLN  54          2HB       GLN  54  -8.993   7.586  -5.167
  410   2HB   GLN  54          1HB       GLN  54 -10.640   6.973  -5.210
  411   1HG   GLN  54          2HG       GLN  54 -11.503   9.001  -4.957
  412   2HG   GLN  54          1HG       GLN  54 -10.428   9.375  -3.610
  413   1HE2  GLN  54          1HE2      GLN  54  -7.983   9.360  -4.668
  414   2HE2  GLN  54          2HE2      GLN  54  -7.832  10.549  -5.912
  415    H    LEU  55           H        LEU  55 -11.040   8.355  -1.601
  416    HA   LEU  55           HA       LEU  55 -12.983   6.304  -0.989
  417   1HB   LEU  55          2HB       LEU  55 -12.528   7.267   0.990
  418   2HB   LEU  55          1HB       LEU  55 -11.979   8.760   0.250
  419    HG   LEU  55           HG       LEU  55 -13.938   8.940   1.817
  420   1HD1  LEU  55          1HD1      LEU  55 -13.325  10.261  -0.550
  421   2HD1  LEU  55          2HD1      LEU  55 -14.323  10.851   0.779
  422   3HD1  LEU  55          3HD1      LEU  55 -15.074  10.030  -0.589
  423   1HD2  LEU  55          1HD2      LEU  55 -14.962   6.870   0.236
  424   2HD2  LEU  55          2HD2      LEU  55 -15.930   8.289  -0.158
  425   3HD2  LEU  55          3HD2      LEU  55 -15.794   7.753   1.516
  426    H    VAL  56           H        VAL  56 -14.707   6.042  -2.176
  427    HA   VAL  56           HA       VAL  56 -15.892   8.343  -3.570
  428    HB   VAL  56           HB       VAL  56 -15.092   5.884  -4.596
  429   1HG1  VAL  56          1HG1      VAL  56 -17.096   4.778  -5.326
  430   2HG1  VAL  56          2HG1      VAL  56 -18.103   6.003  -4.553
  431   3HG1  VAL  56          3HG1      VAL  56 -17.128   4.910  -3.569
  432   1HG2  VAL  56          1HG2      VAL  56 -17.146   7.458  -6.054
  433   2HG2  VAL  56          2HG2      VAL  56 -15.589   6.840  -6.607
  434   3HG2  VAL  56          3HG2      VAL  56 -15.656   8.279  -5.589
  435    H    ASP  57           H        ASP  57 -18.028   8.787  -3.367
  436    HA   ASP  57           HA       ASP  57 -19.924   9.036  -2.055
  437   1HB   ASP  57          2HB       ASP  57 -20.458   7.602  -4.037
  438   2HB   ASP  57          1HB       ASP  57 -20.254   6.186  -3.004
  439    H    ASN  58           H        ASN  58 -18.125   8.697  -0.153
  440    HA   ASN  58           HA       ASN  58 -17.876   8.097   2.029
  441   1HB   ASN  58          2HB       ASN  58 -20.330   8.519   2.122
  442   2HB   ASN  58          1HB       ASN  58 -20.605   6.821   1.746
  443   1HD2  ASN  58          1HD2      ASN  58 -18.432   8.567   3.942
  444   2HD2  ASN  58          2HD2      ASN  58 -18.870   7.678   5.357
  445    H    VAL  59           H        VAL  59 -17.020   6.345  -0.147
  446    HA   VAL  59           HA       VAL  59 -16.683   3.902   1.421
  447    HB   VAL  59           HB       VAL  59 -17.367   3.893  -1.518
  448   1HG1  VAL  59          1HG1      VAL  59 -16.875   1.583   0.355
  449   2HG1  VAL  59          2HG1      VAL  59 -15.720   2.180  -0.838
  450   3HG1  VAL  59          3HG1      VAL  59 -17.254   1.488  -1.365
  451   1HG2  VAL  59          1HG2      VAL  59 -19.430   4.140  -0.570
  452   2HG2  VAL  59          2HG2      VAL  59 -18.947   3.377   0.946
  453   3HG2  VAL  59          3HG2      VAL  59 -19.260   2.387  -0.480
  454    H    TYR  60           H        TYR  60 -14.612   3.405   1.605
  455    HA   TYR  60           HA       TYR  60 -12.621   4.821   0.110
  456   1HB   TYR  60          2HB       TYR  60 -12.238   2.506   2.003
  457   2HB   TYR  60          1HB       TYR  60 -11.043   3.720   1.544
  458    HD1  TYR  60           1HD      TYR  60 -13.526   5.854   1.752
  459    HD2  TYR  60           2HD      TYR  60 -11.586   3.126   4.377
  460    HE1  TYR  60           1HE      TYR  60 -14.197   7.231   3.673
  461    HE2  TYR  60           2HE      TYR  60 -12.254   4.494   6.303
  462    HH   TYR  60           HH       TYR  60 -14.112   6.168   6.816
  463    H    CYS  61           H        CYS  61 -11.747   4.239  -1.771
  464    HA   CYS  61           HA       CYS  61 -12.345   1.606  -2.866
  465   1HB   CYS  61          2HB       CYS  61 -12.772   3.572  -4.260
  466   2HB   CYS  61          1HB       CYS  61 -11.081   4.039  -4.137
  467    HG   CYS  61           HG       CYS  61 -11.126   2.860  -6.343
  468    H    ILE  62           H        ILE  62 -10.934  -0.008  -3.050
  469    HA   ILE  62           HA       ILE  62  -8.055   0.581  -2.757
  470    HB   ILE  62           HB       ILE  62  -9.143  -2.091  -1.954
  471   1HG1  ILE  62          2HG1      ILE  62 -10.461  -0.311  -0.740
  472   2HG1  ILE  62          1HG1      ILE  62  -9.557  -1.416   0.298
  473   1HG2  ILE  62          1HG2      ILE  62  -6.807  -0.498  -0.893
  474   2HG2  ILE  62          2HG2      ILE  62  -6.702  -1.675  -2.203
  475   3HG2  ILE  62          3HG2      ILE  62  -7.168  -2.197  -0.585
  476   1HD1  ILE  62          1HD1      ILE  62  -7.848   0.745  -0.221
  477   2HD1  ILE  62          2HD1      ILE  62  -8.665   0.342   1.290
  478   3HD1  ILE  62          3HD1      ILE  62  -9.433   1.433   0.135
  479    H    GLY  63           H        GLY  63  -7.175   0.299  -4.724
  480   1HA   GLY  63          2HA       GLY  63  -6.445  -0.908  -6.572
  481   2HA   GLY  63          1HA       GLY  63  -7.477  -2.243  -6.065
  482    H    GLN  64           H        GLN  64  -9.416  -2.531  -7.036
  483    HA   GLN  64           HA       GLN  64 -10.423  -0.400  -8.790
  484   1HB   GLN  64          2HB       GLN  64  -9.592  -3.145  -9.536
  485   2HB   GLN  64          1HB       GLN  64 -11.098  -2.576 -10.240
  486   1HG   GLN  64          2HG       GLN  64  -8.474  -1.117 -10.414
  487   2HG   GLN  64          1HG       GLN  64  -9.121  -2.180 -11.663
  488   1HE2  GLN  64          1HE2      GLN  64  -8.978  -0.306 -13.039
  489   2HE2  GLN  64          2HE2      GLN  64 -10.242   0.872 -13.017
  490    H    ARG  65           H        ARG  65 -11.348  -0.943  -6.250
  491    HA   ARG  65           HA       ARG  65 -14.116  -1.513  -6.774
  492   1HB   ARG  65          2HB       ARG  65 -12.763  -3.740  -6.243
  493   2HB   ARG  65          1HB       ARG  65 -12.969  -3.190  -4.587
  494   1HG   ARG  65          2HG       ARG  65 -14.714  -4.761  -5.257
  495   2HG   ARG  65          1HG       ARG  65 -15.378  -3.175  -4.863
  496   1HD   ARG  65          2HD       ARG  65 -16.350  -4.232  -6.908
  497   2HD   ARG  65          1HD       ARG  65 -15.653  -2.635  -7.171
  498    HE   ARG  65           HE       ARG  65 -13.799  -4.749  -7.701
  499   1HH1  ARG  65          1HH1      ARG  65 -16.438  -2.904  -9.054
  500   2HH1  ARG  65          2HH1      ARG  65 -15.957  -3.185 -10.694
  501   1HH2  ARG  65          1HH2      ARG  65 -13.166  -5.119  -9.855
  502   2HH2  ARG  65          2HH2      ARG  65 -14.099  -4.445 -11.149
  503    H    ARG  66           H        ARG  66 -15.433  -1.205  -4.693
  504    HA   ARG  66           HA       ARG  66 -14.061   0.782  -3.018
  505   1HB   ARG  66          2HB       ARG  66 -17.030   0.701  -3.437
  506   2HB   ARG  66          1HB       ARG  66 -16.023   2.028  -2.890
  507   1HG   ARG  66          2HG       ARG  66 -16.244   0.932  -5.674
  508   2HG   ARG  66          1HG       ARG  66 -16.723   2.530  -5.102
  509   1HD   ARG  66          2HD       ARG  66 -14.627   3.340  -5.243
  510   2HD   ARG  66          1HD       ARG  66 -13.904   1.859  -4.621
  511    HE   ARG  66           HE       ARG  66 -13.755   1.031  -6.794
  512   1HH1  ARG  66          1HH1      ARG  66 -15.324   4.154  -6.753
  513   2HH1  ARG  66          2HH1      ARG  66 -15.151   4.398  -8.457
  514   1HH2  ARG  66          1HH2      ARG  66 -13.535   1.354  -9.033
  515   2HH2  ARG  66          2HH2      ARG  66 -14.140   2.809  -9.752
  516    H    PHE  67           H        PHE  67 -13.893   0.394  -0.988
  517    HA   PHE  67           HA       PHE  67 -15.741  -1.404   0.365
  518   1HB   PHE  67          2HB       PHE  67 -12.806  -1.817   0.062
  519   2HB   PHE  67          1HB       PHE  67 -13.608  -2.347   1.544
  520    HD1  PHE  67           1HD      PHE  67 -12.757  -3.261  -1.748
  521    HD2  PHE  67           2HD      PHE  67 -15.796  -3.734   1.196
  522    HE1  PHE  67           1HE      PHE  67 -13.560  -5.279  -2.904
  523    HE2  PHE  67           2HE      PHE  67 -16.598  -5.758   0.048
  524    HZ   PHE  67           HZ       PHE  67 -15.480  -6.532  -2.004
  525    H    HIS  68           H        HIS  68 -15.507  -1.369   2.732
  526    HA   HIS  68           HA       HIS  68 -15.341   1.381   3.610
  527   1HB   HIS  68          2HB       HIS  68 -16.214   0.472   5.754
  528   2HB   HIS  68          1HB       HIS  68 -17.208   0.069   4.360
  529    HD1  HIS  68           1HD      HIS  68 -14.590  -1.526   6.590
  530    HD2  HIS  68           2HD      HIS  68 -17.701  -2.599   4.051
  531    HE1  HIS  68           1HE      HIS  68 -14.834  -4.016   6.840
  532    HE2  HIS  68           2HE      HIS  68 -16.662  -4.655   5.230
  533    H    THR  69           H        THR  69 -12.844   0.468   2.885
  534    HA   THR  69           HA       THR  69 -11.448   0.716   5.427
  535    HB   THR  69           HB       THR  69 -11.770  -1.751   4.736
  536    HG1  THR  69           1HG      THR  69 -10.365  -1.292   6.354
  537   1HG2  THR  69          1HG2      THR  69 -10.452  -2.716   3.139
  538   2HG2  THR  69          2HG2      THR  69  -9.296  -1.384   3.125
  539   3HG2  THR  69          3HG2      THR  69 -10.870  -1.195   2.353
  540    H    MET  70           H        MET  70  -9.221   1.381   5.226
  541    HA   MET  70           HA       MET  70  -7.740   1.816   2.979
  542   1HB   MET  70          2HB       MET  70  -9.172   3.206   1.840
  543   2HB   MET  70          1HB       MET  70  -9.906   3.832   3.303
  544   1HG   MET  70          2HG       MET  70  -7.207   4.729   3.220
  545   2HG   MET  70          1HG       MET  70  -7.941   5.022   1.649
  546   1HE   MET  70          1HE       MET  70  -9.865   6.533   5.560
  547   2HE   MET  70          2HE       MET  70  -8.257   5.807   5.569
  548   3HE   MET  70          3HE       MET  70  -9.659   4.839   5.110
  549    H    ASP  71           H        ASP  71  -5.797   2.289   3.717
  550    HA   ASP  71           HA       ASP  71  -4.098   3.263   4.910
  551   1HB   ASP  71          2HB       ASP  71  -5.815   5.225   5.103
  552   2HB   ASP  71          1HB       ASP  71  -6.012   4.643   6.757
  553    H    GLU  72           H        GLU  72  -6.803   1.727   6.395
  554    HA   GLU  72           HA       GLU  72  -5.136   0.868   8.657
  555   1HB   GLU  72          2HB       GLU  72  -8.133   0.616   8.301
  556   2HB   GLU  72          1HB       GLU  72  -7.219   0.187   9.741
  557   1HG   GLU  72          2HG       GLU  72  -7.597   2.945   8.601
  558   2HG   GLU  72          1HG       GLU  72  -8.317   2.296  10.075
  559    H    LEU  73           H        LEU  73  -6.536  -0.054   5.710
  560    HA   LEU  73           HA       LEU  73  -6.644  -2.861   6.218
  561   1HB   LEU  73          2HB       LEU  73  -7.154  -3.088   3.855
  562   2HB   LEU  73          1HB       LEU  73  -8.143  -1.851   4.594
  563    HG   LEU  73           HG       LEU  73  -7.562  -0.413   2.996
  564   1HD1  LEU  73          1HD1      LEU  73  -5.428   0.522   2.753
  565   2HD1  LEU  73          2HD1      LEU  73  -4.632  -0.932   3.347
  566   3HD1  LEU  73          3HD1      LEU  73  -5.547   0.088   4.451
  567   1HD2  LEU  73          1HD2      LEU  73  -5.795  -2.621   1.981
  568   2HD2  LEU  73          2HD2      LEU  73  -6.236  -1.173   1.075
  569   3HD2  LEU  73          3HD2      LEU  73  -7.480  -2.329   1.553
  570    H    VAL  74           H        VAL  74  -4.093  -0.810   5.804
  571    HA   VAL  74           HA       VAL  74  -2.493  -2.624   4.231
  572    HB   VAL  74           HB       VAL  74  -1.277  -0.401   5.796
  573   1HG1  VAL  74          1HG1      VAL  74   0.017  -1.972   4.369
  574   2HG1  VAL  74          2HG1      VAL  74   0.199  -0.280   3.910
  575   3HG1  VAL  74          3HG1      VAL  74  -0.849  -1.341   2.968
  576   1HG2  VAL  74          1HG2      VAL  74  -2.279   0.407   3.150
  577   2HG2  VAL  74          2HG2      VAL  74  -2.196   1.312   4.660
  578   3HG2  VAL  74          3HG2      VAL  74  -3.520   0.199   4.379
  579    H    GLU  75           H        GLU  75  -3.481  -2.343   7.399
  580    HA   GLU  75           HA       GLU  75  -1.071  -3.568   8.520
  581   1HB   GLU  75          2HB       GLU  75  -2.189  -1.723   9.754
  582   2HB   GLU  75          1HB       GLU  75  -3.622  -2.731   9.914
  583   1HG   GLU  75          2HG       GLU  75  -1.761  -4.388  10.930
  584   2HG   GLU  75          1HG       GLU  75  -1.063  -2.828  11.360
  585    H    HIS  76           H        HIS  76  -4.321  -4.316   7.568
  586    HA   HIS  76           HA       HIS  76  -3.848  -7.115   8.328
  587   1HB   HIS  76          2HB       HIS  76  -6.163  -5.370   8.956
  588   2HB   HIS  76          1HB       HIS  76  -6.533  -7.021   8.470
  589    HD1  HIS  76           1HD      HIS  76  -5.302  -5.012  11.295
  590    HD2  HIS  76           2HD      HIS  76  -5.448  -9.025  10.230
  591    HE1  HIS  76           1HE      HIS  76  -4.826  -6.286  13.410
  592    HE2  HIS  76           2HE      HIS  76  -5.062  -8.711  12.768
  593    H    TYR  77           H        TYR  77  -3.893  -5.243   5.762
  594    HA   TYR  77           HA       TYR  77  -4.611  -5.353   3.604
  595   1HB   TYR  77          2HB       TYR  77  -4.336  -7.716   2.692
  596   2HB   TYR  77          1HB       TYR  77  -2.931  -6.954   3.433
  597    HD1  TYR  77           1HD      TYR  77  -2.168  -7.701   5.661
  598    HD2  TYR  77           2HD      TYR  77  -5.345  -9.675   3.633
  599    HE1  TYR  77           1HE      TYR  77  -1.923  -9.630   7.167
  600    HE2  TYR  77           2HE      TYR  77  -5.110 -11.608   5.134
  601    HH   TYR  77           HH       TYR  77  -3.216 -12.611   6.565
  602    H    LYS  78           H        LYS  78  -6.808  -4.755   4.519
  603    HA   LYS  78           HA       LYS  78  -8.875  -6.630   4.759
  604   1HB   LYS  78          2HB       LYS  78  -9.020  -3.721   3.952
  605   2HB   LYS  78          1HB       LYS  78 -10.389  -4.700   4.466
  606   1HG   LYS  78          2HG       LYS  78  -8.068  -4.587   6.293
  607   2HG   LYS  78          1HG       LYS  78  -9.034  -3.118   6.125
  608   1HD   LYS  78          2HD       LYS  78 -11.013  -4.885   6.415
  609   2HD   LYS  78          1HD       LYS  78  -9.748  -5.745   7.295
  610   1HE   LYS  78          2HE       LYS  78 -10.093  -2.860   7.881
  611   2HE   LYS  78          1HE       LYS  78 -11.351  -3.958   8.456
  612   1HZ   LYS  78          1HZ       LYS  78  -9.977  -4.165  10.201
  613   2HZ   LYS  78          2HZ       LYS  78  -8.610  -3.655   9.346
  614   3HZ   LYS  78          3HZ       LYS  78  -9.142  -5.254   9.210
  615    H    LYS  79           H        LYS  79 -10.247  -4.616   2.453
  616    HA   LYS  79           HA       LYS  79 -10.274  -6.823   0.582
  617   1HB   LYS  79          2HB       LYS  79 -11.561  -4.094   0.426
  618   2HB   LYS  79          1HB       LYS  79 -11.871  -5.434  -0.673
  619   1HG   LYS  79          2HG       LYS  79 -13.632  -5.652   0.768
  620   2HG   LYS  79          1HG       LYS  79 -12.456  -6.713   1.534
  621   1HD   LYS  79          2HD       LYS  79 -11.953  -5.148   3.200
  622   2HD   LYS  79          1HD       LYS  79 -12.672  -3.819   2.295
  623   1HE   LYS  79          2HE       LYS  79 -14.280  -4.224   3.898
  624   2HE   LYS  79          1HE       LYS  79 -14.867  -5.193   2.548
  625   1HZ   LYS  79          1HZ       LYS  79 -14.614  -7.056   3.710
  626   2HZ   LYS  79          2HZ       LYS  79 -14.422  -6.082   5.079
  627   3HZ   LYS  79          3HZ       LYS  79 -13.062  -6.636   4.239
  628    H    ALA  80           H        ALA  80  -7.856  -6.434   0.527
  629    HA   ALA  80           HA       ALA  80  -7.085  -4.625  -1.652
  630   1HB   ALA  80          1HB       ALA  80  -5.658  -5.657   0.737
  631   2HB   ALA  80          2HB       ALA  80  -5.608  -4.062  -0.012
  632   3HB   ALA  80          3HB       ALA  80  -4.718  -5.401  -0.733
  633    HA   PRO  81           HA       PRO  81  -6.445  -8.186  -4.269
  634   1HB   PRO  81          2HB       PRO  81  -4.294  -7.545  -5.734
  635   2HB   PRO  81          1HB       PRO  81  -5.812  -6.651  -5.922
  636   1HG   PRO  81          2HG       PRO  81  -3.420  -5.968  -4.222
  637   2HG   PRO  81          1HG       PRO  81  -4.236  -4.946  -5.441
  638   1HD   PRO  81          2HD       PRO  81  -4.840  -4.665  -2.848
  639   2HD   PRO  81          1HD       PRO  81  -6.129  -4.608  -4.074
  640    H    ILE  82           H        ILE  82  -5.027  -7.862  -1.566
  641    HA   ILE  82           HA       ILE  82  -2.477  -8.930  -1.665
  642    HB   ILE  82           HB       ILE  82  -4.439  -9.296   0.584
  643   1HG1  ILE  82          2HG1      ILE  82  -3.611  -6.874  -0.621
  644   2HG1  ILE  82          1HG1      ILE  82  -4.546  -7.090   0.852
  645   1HG2  ILE  82          1HG2      ILE  82  -1.592  -8.776   1.093
  646   2HG2  ILE  82          2HG2      ILE  82  -1.973 -10.322   0.346
  647   3HG2  ILE  82          3HG2      ILE  82  -2.710  -9.882   1.885
  648   1HD1  ILE  82          1HD1      ILE  82  -2.928  -5.890   1.779
  649   2HD1  ILE  82          2HD1      ILE  82  -1.795  -6.203   0.467
  650   3HD1  ILE  82          3HD1      ILE  82  -1.992  -7.380   1.764
  651    H    PHE  83           H        PHE  83  -1.951 -10.780  -2.537
  652    HA   PHE  83           HA       PHE  83  -3.612 -13.170  -2.081
  653   1HB   PHE  83          2HB       PHE  83  -2.604 -11.923  -4.551
  654   2HB   PHE  83          1HB       PHE  83  -2.414 -13.677  -4.470
  655    HD1  PHE  83           1HD      PHE  83  -4.479 -11.138  -5.558
  656    HD2  PHE  83           2HD      PHE  83  -4.645 -14.893  -3.565
  657    HE1  PHE  83           1HE      PHE  83  -6.818 -11.403  -6.267
  658    HE2  PHE  83           2HE      PHE  83  -6.987 -15.167  -4.269
  659    HZ   PHE  83           HZ       PHE  83  -8.076 -13.421  -5.624
  660    H    THR  84           H        THR  84  -2.486 -15.201  -2.123
  661    HA   THR  84           HA       THR  84   0.431 -15.025  -1.842
  662    HB   THR  84           HB       THR  84  -1.358 -16.656  -0.030
  663    HG1  THR  84           1HG      THR  84  -0.035 -14.187   0.340
  664   1HG2  THR  84          1HG2      THR  84   1.540 -16.579  -0.435
  665   2HG2  THR  84          2HG2      THR  84   0.521 -17.820   0.296
  666   3HG2  THR  84          3HG2      THR  84   1.021 -16.419   1.243
  667    H    SER  85           H        SER  85   1.584 -16.890  -2.445
  668    HA   SER  85           HA       SER  85   0.021 -18.847  -3.991
  669   1HB   SER  85          2HB       SER  85   1.514 -17.273  -5.313
  670   2HB   SER  85          1HB       SER  85   2.889 -18.063  -4.540
  671    HG   SER  85           HG       SER  85   0.901 -19.482  -5.970
  672    H    GLU  86           H        GLU  86   0.320 -20.953  -3.593
  673    HA   GLU  86           HA       GLU  86   1.179 -21.993  -1.269
  674   1HB   GLU  86          2HB       GLU  86   0.453 -23.031  -3.796
  675   2HB   GLU  86          1HB       GLU  86   1.912 -23.879  -3.303
  676   1HG   GLU  86          2HG       GLU  86  -0.284 -23.572  -1.325
  677   2HG   GLU  86          1HG       GLU  86  -0.476 -24.740  -2.632
  678    H    HIS  87           H        HIS  87   3.266 -21.781  -4.165
  679    HA   HIS  87           HA       HIS  87   5.552 -22.928  -3.161
  680   1HB   HIS  87          2HB       HIS  87   5.158 -22.036  -5.509
  681   2HB   HIS  87          1HB       HIS  87   5.606 -20.452  -4.885
  682    HD1  HIS  87           1HD      HIS  87   7.036 -23.333  -6.456
  683    HD2  HIS  87           2HD      HIS  87   8.336 -20.570  -3.639
  684    HE1  HIS  87           1HE      HIS  87   9.544 -23.515  -6.443
  685    HE2  HIS  87           2HE      HIS  87  10.299 -21.913  -4.652
  686    H    GLY  88           H        GLY  88   4.209 -19.797  -2.437
  687   1HA   GLY  88          2HA       GLY  88   4.847 -19.010  -0.158
  688   2HA   GLY  88          1HA       GLY  88   6.511 -19.274  -0.660
  689    H    GLU  89           H        GLU  89   4.128 -17.911  -2.839
  690    HA   GLU  89           HA       GLU  89   5.689 -15.436  -2.879
  691   1HB   GLU  89          2HB       GLU  89   5.227 -15.369  -5.071
  692   2HB   GLU  89          1HB       GLU  89   4.502 -16.958  -4.896
  693   1HG   GLU  89          2HG       GLU  89   2.813 -15.817  -5.925
  694   2HG   GLU  89          1HG       GLU  89   2.380 -15.592  -4.233
  695    H    LYS  90           H        LYS  90   4.912 -13.521  -2.107
  696    HA   LYS  90           HA       LYS  90   2.117 -13.528  -1.190
  697   1HB   LYS  90          2HB       LYS  90   4.606 -12.832   0.288
  698   2HB   LYS  90          1HB       LYS  90   3.129 -11.947   0.664
  699   1HG   LYS  90          2HG       LYS  90   2.327 -13.638   1.853
  700   2HG   LYS  90          1HG       LYS  90   2.634 -14.787   0.549
  701   1HD   LYS  90          2HD       LYS  90   4.830 -15.206   1.297
  702   2HD   LYS  90          1HD       LYS  90   4.824 -13.791   2.352
  703   1HE   LYS  90          2HE       LYS  90   2.983 -16.142   2.733
  704   2HE   LYS  90          1HE       LYS  90   4.565 -16.023   3.501
  705   1HZ   LYS  90          1HZ       LYS  90   2.717 -15.258   4.919
  706   2HZ   LYS  90          2HZ       LYS  90   2.401 -14.015   3.816
  707   3HZ   LYS  90          3HZ       LYS  90   3.875 -14.055   4.645
  708    H    LEU  91           H        LEU  91   0.897 -11.840  -1.595
  709    HA   LEU  91           HA       LEU  91   2.139  -9.380  -2.644
  710   1HB   LEU  91          2HB       LEU  91   0.511 -10.889  -4.129
  711   2HB   LEU  91          1HB       LEU  91  -0.715 -10.050  -3.233
  712    HG   LEU  91           HG       LEU  91   0.405  -9.244  -5.613
  713   1HD1  LEU  91          1HD1      LEU  91  -1.646  -8.371  -5.212
  714   2HD1  LEU  91          2HD1      LEU  91  -0.673  -6.965  -4.782
  715   3HD1  LEU  91          3HD1      LEU  91  -1.295  -8.026  -3.518
  716   1HD2  LEU  91          1HD2      LEU  91   1.634  -7.672  -3.367
  717   2HD2  LEU  91          2HD2      LEU  91   1.520  -7.089  -5.027
  718   3HD2  LEU  91          3HD2      LEU  91   2.470  -8.530  -4.660
  719    H    TYR  92           H        TYR  92   2.246  -8.517  -0.564
  720    HA   TYR  92           HA       TYR  92  -0.319  -7.638   0.484
  721   1HB   TYR  92          2HB       TYR  92   0.155  -8.340   2.732
  722   2HB   TYR  92          1HB       TYR  92   0.266  -9.738   1.669
  723    HD1  TYR  92           1HD      TYR  92   2.835  -9.935   0.659
  724    HD2  TYR  92           2HD      TYR  92   1.698  -8.309   4.422
  725    HE1  TYR  92           1HE      TYR  92   5.082 -10.412   1.539
  726    HE2  TYR  92           2HE      TYR  92   3.940  -8.781   5.311
  727    HH   TYR  92           HH       TYR  92   6.564  -9.507   3.392
  728    H    LEU  93           H        LEU  93  -0.098  -6.048   2.234
  729    HA   LEU  93           HA       LEU  93   2.025  -4.184   1.534
  730   1HB   LEU  93          2HB       LEU  93  -0.246  -3.494   3.333
  731   2HB   LEU  93          1HB       LEU  93   0.636  -2.464   2.215
  732    HG   LEU  93           HG       LEU  93  -0.794  -4.550   0.795
  733   1HD1  LEU  93          1HD1      LEU  93  -2.564  -2.621   2.249
  734   2HD1  LEU  93          2HD1      LEU  93  -2.233  -4.235   2.879
  735   3HD1  LEU  93          3HD1      LEU  93  -3.013  -4.042   1.308
  736   1HD2  LEU  93          1HD2      LEU  93  -1.202  -2.888  -0.674
  737   2HD2  LEU  93          2HD2      LEU  93   0.123  -2.121   0.203
  738   3HD2  LEU  93          3HD2      LEU  93  -1.545  -1.707   0.588
  739    H    VAL  94           H        VAL  94   3.595  -5.488   2.795
  740    HA   VAL  94           HA       VAL  94   3.417  -5.825   5.568
  741    HB   VAL  94           HB       VAL  94   5.114  -7.055   4.567
  742   1HG1  VAL  94          1HG1      VAL  94   5.816  -6.393   2.579
  743   2HG1  VAL  94          2HG1      VAL  94   7.040  -5.468   3.447
  744   3HG1  VAL  94          3HG1      VAL  94   5.535  -4.693   2.953
  745   1HG2  VAL  94          1HG2      VAL  94   5.803  -5.331   6.612
  746   2HG2  VAL  94          2HG2      VAL  94   7.141  -5.205   5.470
  747   3HG2  VAL  94          3HG2      VAL  94   6.680  -6.780   6.117
  748    H    ARG  95           H        ARG  95   6.064  -3.773   4.608
  749    HA   ARG  95           HA       ARG  95   4.968  -1.302   5.381
  750   1HB   ARG  95          2HB       ARG  95   6.155  -2.919   7.554
  751   2HB   ARG  95          1HB       ARG  95   6.682  -1.228   7.452
  752   1HG   ARG  95          2HG       ARG  95   4.821  -0.570   8.437
  753   2HG   ARG  95          1HG       ARG  95   3.854  -1.306   7.155
  754   1HD   ARG  95          2HD       ARG  95   3.442  -3.198   8.368
  755   2HD   ARG  95          1HD       ARG  95   4.967  -3.091   9.252
  756    HE   ARG  95           HE       ARG  95   3.596  -0.979  10.199
  757   1HH1  ARG  95          1HH1      ARG  95   2.751  -4.346   9.825
  758   2HH1  ARG  95          2HH1      ARG  95   1.665  -4.351  11.173
  759   1HH2  ARG  95          1HH2      ARG  95   2.170  -0.986  11.972
  760   2HH2  ARG  95          2HH2      ARG  95   1.335  -2.444  12.392
  761    H    ALA  96           H        ALA  96   6.751   0.260   6.034
  762    HA   ALA  96           HA       ALA  96   8.663   0.276   3.914
  763   1HB   ALA  96          1HB       ALA  96   7.912   2.378   4.332
  764   2HB   ALA  96          2HB       ALA  96   9.337   2.389   5.373
  765   3HB   ALA  96          3HB       ALA  96   7.742   2.088   6.063
  766    H    LEU  97           H        LEU  97  10.709  -0.418   3.973
  767    HA   LEU  97           HA       LEU  97  12.748  -1.102   4.718
  768   1HB   LEU  97          2HB       LEU  97  12.142   1.015   6.336
  769   2HB   LEU  97          1HB       LEU  97  12.396  -0.260   7.512
  770    HG   LEU  97           HG       LEU  97  14.426   1.090   7.055
  771   1HD1  LEU  97          1HD1      LEU  97  14.267  -1.844   6.697
  772   2HD1  LEU  97          2HD1      LEU  97  15.094  -0.891   7.930
  773   3HD1  LEU  97          3HD1      LEU  97  15.805  -1.066   6.325
  774   1HD2  LEU  97          1HD2      LEU  97  14.565  -0.265   4.384
  775   2HD2  LEU  97          2HD2      LEU  97  15.511   1.095   4.990
  776   3HD2  LEU  97          3HD2      LEU  97  13.812   1.319   4.573
  777    H    GLN  98           H        GLN  98  10.770  -1.394   7.670
  778    HA   GLN  98           HA       GLN  98  11.342  -4.284   7.640
  779   1HB   GLN  98          2HB       GLN  98  11.920  -2.401   9.619
  780   2HB   GLN  98          1HB       GLN  98  10.506  -3.254  10.223
  781   1HG   GLN  98          2HG       GLN  98  11.943  -4.762  10.992
  782   2HG   GLN  98          1HG       GLN  98  12.093  -5.295   9.319
  783   1HE2  GLN  98          1HE2      GLN  98  13.610  -3.528   8.110
  784   2HE2  GLN  98          2HE2      GLN  98  15.156  -3.371   8.864