*HEADER    TRANSPORT PROTEIN                       17-JUN-16   5KJ3              
*TITLE     CONNEXIN 26 WT PEPTIDE NMR STRUCTURE                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAP JUNCTION BETA-2 PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONNEXIN-26,CX26;                                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    CONNEXIN26 NMR STRUCTURE PEPTIDE, TRANSPORT PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.L.DOWD,T.A.BARGIELLO                                                
*REVDAT   1   28-SEP-16 5KJ3    0                                                
# Restraints file 1: CX26NOEST.tbl
assign (resid 6 and name HG) (resid 3 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.329
assign (resid 6 and name HB2) (resid 3 and name HA) 2.75 0.95 1.15  !     Cx26NOEST.331
assign (resid 6 and name HD21) (resid 3 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.326
assign (resid 6 and name HD11) (resid 3 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.328
assign (resid 3 and name HB1) (resid 3 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.340
assign (resid 3 and name HB2) (resid 3 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.341
assign (resid 17 and name HB1) (resid 17 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.333
assign (resid 17 and name HB2) (resid 17 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.335
assign (resid 20 and name HG21) (resid 19 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.325
assign (resid 6 and name HD#) (resid 6 and name HA) 2.40 0.60 1.60  !     Cx26NOEST.312
assign (resid 9 and name HG21) (resid 9 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.315
assign (resid 13 and name HG11) (resid 13 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.310
assign (resid 10 and name HD21) (resid 10 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.311
assign (resid 9 and name HD11) (resid 9 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.322
assign (resid 20 and name HG12) (resid 19 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.324
!assign (resid 6 and name HD11) (resid 6 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.317
assign (resid 10 and name HD11) (resid 10 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.319
assign (resid 13 and name HG11) (resid 14 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.344
assign (resid 3 and name HH2) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.375
assign (resid 3 and name HH2) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.377
assign (resid 3 and name HH2) (resid 8 and name HG21) 3.40 1.60 2.60  !     Cx26NOEST.367
assign (resid 3 and name HZ3) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.371
assign (resid 7 and name HE21) (resid 7 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.393
assign (resid 3 and name HH2) (resid 5 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.394
assign (resid 7 and name HE22) (resid 9 and name HA) 3.40 1.60 2.60  !     Cx26NOEST.378
!assign (resid 7 and name HE22) (resid 13 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.379
assign (resid 3 and name HH2) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.366
assign (resid 6 and name HD21) (resid 4 and name ha1) 3.40 1.60 1.60  !     Cx26NOEST.349
assign (resid 6 and name HD11) (resid 4 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.351
assign (resid 20 and name HG21) (resid 19 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.346
assign (resid 6 and name HD21) (resid 4 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.347
assign (resid 5 and name HN) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.361
assign (resid 5 and name HN) (resid 6 and name HG) 3.40 1.60 1.60  !     Cx26NOEST.363
assign (resid 10 and name HD11) (resid 11 and name HA2) 2.75 0.95 0.95  !     Cx26NOEST.352
assign (resid 8 and name HN) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.359
assign (resid 20 and name HG21) (resid 20 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.309
assign (resid 3 and name HN) (resid 4 and name HA2) 3.40 1.60 2.40  !     Cx26NOEST.265
assign (resid 17 and name HN) (resid 17 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.266
assign (resid 16 and name HD1) (resid 20 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.256
assign (resid 19 and name HN) (resid 19 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.263
assign (resid 1 and name HB2) (resid 1 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.279
assign (resid 15 and name HB2) (resid 15 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.280
assign (resid 9 and name HN) (resid 8 and name HG21) 2.75 0.95 0.95  !     Cx26NOEST.276
assign (resid 22 and name HB1) (resid 22 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.278
assign (resid 16 and name HD1) (resid 16 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.254
assign (resid 3 and name HH2) (resid 6 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.244
assign (resid 3 and name HZ3) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.248
assign (resid 3 and name HD1) (resid 6 and name HD11) 2.75 0.95 1.45  !     Cx26NOEST.239
assign (resid 3 and name HH2) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.243
assign (resid 16 and name HD1) (resid 13 and name HG11) 3.40 1.60 1.60  !     Cx26NOEST.252
assign (resid 16 and name HD1) (resid 16 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.253
assign (resid 3 and name HZ3) (resid 6 and name HD21) 2.75 0.95 0.95  !     Cx26NOEST.249
assign (resid 16 and name HD1) (resid 16 and name HB1) 3.40 1.60 1.60  !     Cx26NOEST.251
assign (resid 10 and name HB1) (resid 10 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.283
assign (resid 18 and name HG21) (resid 18 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.300
assign (resid 5 and name HG21) (resid 9 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.303
assign (resid 15 and name HG2) (resid 15 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.296
assign (resid 18 and name HG21) (resid 18 and name HB) 2.40 0.60 0.60  !     Cx26NOEST.299
assign (resid 8 and name HG21) (resid 9 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.307
assign (resid 20 and name HG21) (resid 18 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.308
assign (resid 5 and name HG21) (resid 5 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.305
assign (resid 8 and name HG21) (resid 8 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.306
assign (resid 20 and name hg11) (resid 20 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.295
assign (resid 10 and name HB1) (resid 10 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.288
assign (resid 6 and name HB2) (resid 6 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.290
!assign (resid 6 and name HG) (resid 6 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.284
assign (resid 10 and name HB1) (resid 9 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.287
assign (resid 9 and name hg11) (resid 9 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.293
assign (resid 9 and name hg11) (resid 6 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.294
assign (resid 10 and name HB2) (resid 10 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.291
assign (resid 9 and name hg11) (resid 8 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.292
assign (resid 3 and name HZ3) (resid 5 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.396
assign (resid 13 and name HB) (resid 13 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.510
assign (resid 7 and name HB1) (resid 7 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.512
assign (resid 2 and name HB2) (resid 1 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.505
assign (resid 7 and name HG2) (resid 7 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.509
assign (resid 20 and name HB) (resid 20 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.519
assign (resid 9 and name HB) (resid 9 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.520
assign (resid 7 and name HB2) (resid 7 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.517
!assign (resid 9 and name HB) (resid 8 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.518
assign (resid 2 and name HB1) (resid 1 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.504
assign (resid 2 and name HB1) (resid 5 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.496
assign (resid 2 and name HB1) (resid 2 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.497
assign (resid 14 and name HB1) (resid 14 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.484
assign (resid 14 and name HB2) (resid 14 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.488
assign (resid 1 and name HG2) (resid 1 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.502
assign (resid 1 and name HG2) (resid 5 and name HA) 3.40 1.60 2.30  !     Cx26NOEST.503
assign (resid 2 and name HB2) (resid 2 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.498
assign (resid 2 and name HB2) (resid 5 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.499
assign (resid 22 and name HD2) (resid 21 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.523
assign (resid 10 and name HD11) (resid 13 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.553
assign (resid 13 and name HG11) (resid 13 and name HB) 2.40 0.60 0.60  !     Cx26NOEST.554
assign (resid 6 and name HD21) (resid 7 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.549
assign (resid 6 and name HD11) (resid 7 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.550
assign (resid 6 and name HD11) (resid 1 and name HB2) 2.75 0.95 1.45  !     Cx26NOEST.569
assign (resid 9 and name HN) (resid 10 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.574
assign (resid 20 and name HG21) (resid 20 and name HB) 2.40 0.60 0.60  !     Cx26NOEST.559
assign (resid 6 and name HD21) (resid 1 and name HB2) 2.75 0.95 1.45  !     Cx26NOEST.566
assign (resid 6 and name HD21) (resid 1 and name HG2) 2.75 0.95 1.45  !     Cx26NOEST.547
assign (resid 10 and name HB2) (resid 9 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.528
assign (resid 3 and name HE3) (resid 6 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.530
assign (resid 10 and name HG) (resid 11 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.524
assign (resid 10 and name HB2) (resid 11 and name HA2) 3.40 1.60 2.10  !     Cx26NOEST.526
assign (resid 1 and name HB2) (resid 1 and name HG2) 2.40 0.60 0.60  !     Cx26NOEST.541
assign (resid 5 and name HG21) (resid 1 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.543
assign (resid 3 and name HE3) (resid 4 and name ha1) 3.40 1.60 1.60  !     Cx26NOEST.534
assign (resid 3 and name HE3) (resid 1 and name HA) 3.40 1.60 2.10  !     Cx26NOEST.537
assign (resid 16 and name HB2) (resid 16 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.482
assign (resid 3 and name HN) (resid 3 and name HE3) 3.40 1.60 1.60  !     Cx26NOEST.414
assign (resid 7 and name HN) (resid 7 and name HE22) 3.40 1.60 1.60  !     Cx26NOEST.418
assign (resid 15 and name HN) (resid 16 and name HE1) 3.40 1.60 1.60  !     Cx26NOEST.411
assign (resid 3 and name HN) (resid 3 and name HD1) 2.75 0.95 0.95  !     Cx26NOEST.413
assign (resid 6 and name HN) (resid 5 and name HN) 2.40 0.60 0.60  !     Cx26NOEST.422
assign (resid 21 and name HN) (resid 20 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.424
assign (resid 6 and name HN) (resid 7 and name HE22) 3.40 1.60 1.60  !     Cx26NOEST.419
assign (resid 12 and name HN) (resid 13 and name HN) 2.75 0.95 0.95  !     Cx26NOEST.421
assign (resid 10 and name HN) (resid 9 and name HN) 2.40 0.60 0.60  !     Cx26NOEST.410
assign (resid 7 and name HE21) (resid 6 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.403
assign (resid 14 and name HN) (resid 13 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.405
assign (resid 7 and name HE21) (resid 5 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.400
assign (resid 7 and name HE21) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.402
assign (resid 4 and name HN) (resid 3 and name HD1) 3.40 1.60 1.60  !     Cx26NOEST.408
assign (resid 2 and name HN) (resid 3 and name HD1) 3.40 1.60 1.60  !     Cx26NOEST.409
assign (resid 21 and name HN) (resid 22 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.406
assign (resid 4 and name HN) (resid 5 and name HN) 2.75 0.95 0.95  !     Cx26NOEST.407
assign (resid 11 and name HN) (resid 12 and name HN) 2.75 0.95 0.95  !     Cx26NOEST.425
assign (resid 7 and name HE22) (resid 7 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.457
assign (resid 20 and name HG12) (resid 19 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.467
assign (resid 3 and name HD1) (resid 4 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.454
assign (resid 3 and name HD1) (resid 3 and name HN) 2.75 0.95 0.95  !     Cx26NOEST.456
assign (resid 5 and name HG21) (resid 4 and name ha1) 3.40 1.60 3.10  !     Cx26NOEST.470
assign (resid 16 and name HB1) (resid 16 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.479
assign (resid 20 and name HG12) (resid 21 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.468
assign (resid 20 and name HG12) (resid 21 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.469
assign (resid 7 and name HE22) (resid 6 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.452
assign (resid 3 and name HE3) (resid 3 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.441
assign (resid 3 and name HE3) (resid 4 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.442
assign (resid 7 and name HN) (resid 6 and name HN) 2.40 0.60 0.60  !     Cx26NOEST.427
assign (resid 4 and name HN) (resid 3 and name HN) 2.75 0.95 0.95  !     Cx26NOEST.433
assign (resid 3 and name HD1) (resid 2 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.450
assign (resid 7 and name HE22) (resid 7 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.451
assign (resid 3 and name HE3) (resid 6 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.444
assign (resid 3 and name HE3) (resid 3 and name HN) 3.40 1.60 1.60  !     Cx26NOEST.445
!assign (resid 3 and name HN) (resid 3 and name HB2) 2.40 0.60 0.60  !     Cx26NOEST.71
assign (resid 3 and name HN) (resid 2 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.73
assign (resid 17 and name HN) (resid 17 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.69
assign (resid 3 and name HN) (resid 3 and name HB1) 2.40 0.60 0.60  !     Cx26NOEST.70
assign (resid 3 and name HN) (resid 6 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.78
assign (resid 3 and name HN) (resid 3 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.79
assign (resid 3 and name HN) (resid 2 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.74
assign (resid 3 and name HN) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.77
assign (resid 17 and name HN) (resid 17 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.68
assign (resid 15 and name HN) (resid 13 and name HG11) 3.40 1.60 1.60  !     Cx26NOEST.59
assign (resid 15 and name HN) (resid 14 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.62
assign (resid 11 and name HN) (resid 11 and name HA2) 2.40 0.60 0.60  !     Cx26NOEST.55
assign (resid 2 and name HN) (resid 1 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.58
assign (resid 10 and name HN) (resid 8 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.65
assign (resid 3 and name HN) (resid 2 and name HA) 2.40 0.60 1.60  !     Cx26NOEST.67
assign (resid 18 and name HN) (resid 18 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.63
assign (resid 18 and name HN) (resid 18 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.64
assign (resid 7 and name HN) (resid 6 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.87
assign (resid 6 and name HN) (resid 10 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.106
assign (resid 6 and name HN) (resid 5 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.107
assign (resid 20 and name HN) (resid 20 and name HG12) 3.40 1.60 1.60  !     Cx26NOEST.101
assign (resid 20 and name HN) (resid 19 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.105
assign (resid 20 and name HN) (resid 20 and name HB) 2.75 0.95 0.95  !     Cx26NOEST.111
assign (resid 6 and name HN) (resid 6 and name HG) 2.40 0.60 0.60  !     Cx26NOEST.112
assign (resid 12 and name HN) (resid 11 and name HA2) 2.40 0.60 0.60  !     Cx26NOEST.108
assign (resid 20 and name HN) (resid 19 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.109
assign (resid 6 and name HN) (resid 7 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.99
assign (resid 7 and name HN) (resid 7 and name HB2) 2.40 0.60 0.60  !     Cx26NOEST.90
assign (resid 7 and name HN) (resid 10 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.91
assign (resid 7 and name HN) (resid 7 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.88
assign (resid 7 and name HN) (resid 7 and name HG2) 2.75 0.95 0.95  !     Cx26NOEST.89
assign (resid 7 and name HN) (resid 10 and name HD21) 3.40 1.60 2.10  !     Cx26NOEST.95
assign (resid 7 and name HN) (resid 10 and name HD11) 2.75 0.95 0.95  !     Cx26NOEST.96
assign (resid 7 and name HN) (resid 6 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.92
assign (resid 7 and name HN) (resid 8 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.94
assign (resid 2 and name HN) (resid 2 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.53
assign (resid 4 and name HN) (resid 5 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.21
assign (resid 4 and name HN) (resid 4 and name HA2) 2.40 0.60 0.60  !     Cx26NOEST.23
assign (resid 4 and name HN) (resid 2 and name HA) 3.40 1.60 2.60  !     Cx26NOEST.19
assign (resid 4 and name HN) (resid 3 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.20
assign (resid 4 and name HN) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.29
assign (resid 4 and name HN) (resid 6 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.30
assign (resid 4 and name HN) (resid 3 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.25
assign (resid 4 and name HN) (resid 3 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.26
assign (resid 21 and name HN) (resid 21 and name HA2) 2.40 0.60 0.60  !     Cx26NOEST.18
assign (resid 14 and name HN) (resid 14 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.10
assign (resid 14 and name HN) (resid 13 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.12
assign (resid 14 and name HN) (resid 14 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.8
assign (resid 14 and name HN) (resid 14 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.9
assign (resid 4 and name HN) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.16
assign (resid 21 and name HN) (resid 20 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.17
assign (resid 14 and name HN) (resid 13 and name HG11) 3.40 1.60 1.60  !     Cx26NOEST.13
assign (resid 21 and name HN) (resid 20 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.15
assign (resid 19 and name HN) (resid 18 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.31
assign (resid 10 and name HN) (resid 10 and name HB2) 2.40 0.60 0.60  !     Cx26NOEST.44
assign (resid 10 and name HN) (resid 10 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.46
assign (resid 2 and name HN) (resid 1 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.41
assign (resid 10 and name HN) (resid 9 and name HB) 2.75 0.95 0.95  !     Cx26NOEST.43
assign (resid 10 and name HN) (resid 10 and name HD#) 2.40 0.60 1.60  !     Cx26NOEST.49
!assign (resid 10 and name HN) (resid 10 and name HD11) 2.40 0.60 0.60  !     Cx26NOEST.50
assign (resid 18 and name HN) (resid 18 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.47
assign (resid 10 and name HN) (resid 8 and name HG21) 2.75 0.95 0.95  !     Cx26NOEST.48
assign (resid 2 and name HN) (resid 2 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.40
assign (resid 19 and name HN) (resid 19 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.34
assign (resid 2 and name HN) (resid 2 and name HB1) 2.75 0.95 0.95  !     Cx26NOEST.35
assign (resid 19 and name HN) (resid 18 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.32
assign (resid 19 and name HN) (resid 19 and name HA) 2.75 0.95 0.95  !     Cx26NOEST.33
assign (resid 10 and name HN) (resid 7 and name HA) 2.75 0.95 1.45  !     Cx26NOEST.38
assign (resid 10 and name HN) (resid 9 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.39
assign (resid 10 and name HN) (resid 7 and name HG2) 3.40 1.60 1.95  !     Cx26NOEST.36
assign (resid 10 and name HN) (resid 10 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.37
assign (resid 6 and name HN) (resid 6 and name HB2) 2.40 0.60 0.60  !     Cx26NOEST.113
assign (resid 3 and name HZ2) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.210
assign (resid 3 and name HZ2) (resid 6 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.211
assign (resid 3 and name HE3) (resid 8 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.198
assign (resid 3 and name HZ2) (resid 5 and name HG21) 3.40 1.60 2.10  !     Cx26NOEST.206
!assign (resid 3 and name HD1) (resid 2 and name HA) 3.40 1.60 1.60  !     Cx26NOEST.217
assign (resid 7 and name HE22) (resid 7 and name HB1) 2.75 0.95 0.95  !     Cx26NOEST.218
assign (resid 3 and name HZ2) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.213
assign (resid 7 and name HE22) (resid 7 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.216
assign (resid 3 and name HE3) (resid 6 and name HG) 3.40 1.60 1.60  !     Cx26NOEST.196
assign (resid 3 and name HE3) (resid 3 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.185
assign (resid 3 and name HE3) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.186
assign (resid 3 and name HE3) (resid 5 and name HB) 3.40 1.60 1.60  !     Cx26NOEST.183
assign (resid 3 and name HE3) (resid 3 and name HB1) 2.75 0.95 0.95  !     Cx26NOEST.184
assign (resid 3 and name HE3) (resid 6 and name HD11) 2.75 0.95 0.95  !     Cx26NOEST.189
assign (resid 3 and name HE3) (resid 4 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.192
assign (resid 3 and name HE3) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.187
assign (resid 3 and name HE3) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.188
assign (resid 7 and name HE22) (resid 7 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.219
assign (resid 7 and name HE22) (resid 7 and name HG2) 2.75 0.95 0.95  !     Cx26NOEST.232
assign (resid 3 and name HD1) (resid 1 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.234
!assign (resid 3 and name HD1) (resid 2 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.230
assign (resid 3 and name HD1) (resid 1 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.231
assign (resid 7 and name HE22) (resid 8 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.237
assign (resid 3 and name HD1) (resid 6 and name HD21) 2.75 0.95 1.05  !     Cx26NOEST.238
assign (resid 7 and name HE22) (resid 6 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.235
assign (resid 7 and name HE22) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.236
assign (resid 3 and name HD1) (resid 3 and name HB2) 2.75 0.95 0.95  !     Cx26NOEST.229
assign (resid 3 and name HD1) (resid 1 and name HA) 3.40 1.60 2.10  !     Cx26NOEST.222
assign (resid 7 and name HE22) (resid 5 and name HB) 2.75 0.95 1.45  !     Cx26NOEST.223
assign (resid 7 and name HE22) (resid 6 and name HG) 3.40 1.60 1.60  !     Cx26NOEST.220
assign (resid 3 and name HD1) (resid 3 and name HA) 2.75 0.95 1.15  !     Cx26NOEST.221
assign (resid 3 and name HD1) (resid 3 and name HB1) 2.40 0.60 0.60  !     Cx26NOEST.227
assign (resid 3 and name HD1) (resid 3 and name HB2) 2.40 0.60 0.60  !     Cx26NOEST.228
!assign (resid 3 and name HD1) (resid 4 and name ha1) 3.40 1.60 1.60  !     Cx26NOEST.225
!assign (resid 3 and name HD1) (resid 4 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.226
assign (resid 3 and name HE3) (resid 3 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.182
!assign (resid 9 and name HN) (resid 9 and name HG21) 2.75 0.95 0.95  !     Cx26NOEST.127
assign (resid 9 and name HN) (resid 9 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.128
!assign (resid 9 and name HN) (resid 9 and name HG12) 2.75 0.95 0.95  !     Cx26NOEST.125
assign (resid 9 and name HN) (resid 13 and name HG11) 3.40 1.60 1.60  !     Cx26NOEST.126
assign (resid 8 and name HN) (resid 8 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.134
assign (resid 8 and name HN) (resid 7 and name HG2) 3.40 1.60 1.60  !     Cx26NOEST.135
!assign (resid 9 and name HN) (resid 9 and name HG12) 2.40 0.60 0.60  !     Cx26NOEST.131
assign (resid 8 and name HN) (resid 8 and name HB) 2.40 0.60 0.60  !     Cx26NOEST.133
assign (resid 9 and name HN) (resid 10 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.124
assign (resid 20 and name HN) (resid 20 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.116
assign (resid 6 and name HN) (resid 6 and name HD21) 2.75 0.95 0.95  !     Cx26NOEST.117
assign (resid 6 and name HN) (resid 5 and name HG21) 2.75 0.95 0.95  !     Cx26NOEST.114
assign (resid 20 and name HN) (resid 20 and name HG12) 2.75 0.95 0.95  !     Cx26NOEST.115
!assign (resid 9 and name HN) (resid 8 and name HB) 2.40 0.60 0.60  !     Cx26NOEST.122
assign (resid 9 and name HN) (resid 9 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.123
assign (resid 9 and name HN) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.120
assign (resid 9 and name HN) (resid 8 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.121
assign (resid 8 and name HN) (resid 7 and name HB2) 3.40 1.60 1.60  !     Cx26NOEST.138
assign (resid 5 and name HN) (resid 5 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.155
assign (resid 5 and name HN) (resid 4 and name HA2) 2.75 0.95 0.95  !     Cx26NOEST.156
assign (resid 5 and name HN) (resid 8 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.153
assign (resid 5 and name HN) (resid 6 and name HD21) 3.40 1.60 1.60  !     Cx26NOEST.154
assign (resid 22 and name HN) (resid 22 and name HA) 2.40 0.60 0.60  !     Cx26NOEST.163
assign (resid 3 and name HE3) (resid 4 and name HA2) 3.40 1.60 1.60  !     Cx26NOEST.180
assign (resid 5 and name HN) (resid 6 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.158
assign (resid 22 and name HN) (resid 21 and name HA2) 2.40 0.60 0.60  !     Cx26NOEST.161
assign (resid 5 and name HN) (resid 5 and name HG21) 2.75 0.95 0.95  !     Cx26NOEST.152
assign (resid 8 and name HN) (resid 5 and name HG21) 3.40 1.60 1.60  !     Cx26NOEST.141
!assign (resid 13 and name HN) (resid 13 and name HG11) 2.40 0.60 0.60  !     Cx26NOEST.142
assign (resid 8 and name HN) (resid 8 and name HG21) 2.75 0.95 0.95  !     Cx26NOEST.139
assign (resid 13 and name HN) (resid 12 and name HA2) 2.40 0.60 0.60  !     Cx26NOEST.140
assign (resid 13 and name HN) (resid 13 and name HB) 2.40 0.60 0.60  !     Cx26NOEST.146
assign (resid 5 and name HN) (resid 4 and name ha1) 2.75 0.95 0.95  !     Cx26NOEST.149
assign (resid 13 and name HN) (resid 10 and name HD11) 3.40 1.60 1.60  !     Cx26NOEST.143
!assign (resid 13 and name HN) (resid 13 and name HA) 3.40 0.60 1.60  !     Cx26NOEST.144
assign (resid 13 and name HA) (resid 15 and name HG#) 3.40 0.60 1.60  !     Cx26NOEST.297
!assign (resid 3 and name HN) (resid 5 and name HN) 2.40 0.60 1.10  !     Cx26NOEST.412
assign (resid 7 and name HN) (resid 9 and name HN) 3.40 0.60 1.60  !     Cx26NOEST.415
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA1      ACE   0 -13.709  -0.381  -3.966
    2    H2   ACE   0           HA2      ACE   0 -14.582   1.059  -3.447
    3    H3   ACE   0           HA3      ACE   0 -15.027  -0.502  -2.762
    4    H    MET   1           HN       MET   1 -12.274   1.719  -3.071
    5    HA   MET   1           HA       MET   1 -11.642   1.270  -0.272
    6    HB2  MET   1           HB1      MET   1 -10.302  -0.393  -1.503
    7    HB3  MET   1           HB2      MET   1  -9.579   0.919  -2.433
    8    HG2  MET   1           HG1      MET   1  -8.335  -0.092  -0.386
    9    HG3  MET   1           HG2      MET   1  -8.289   1.650  -0.688
   10    HE1  MET   1           HE1      MET   1 -10.923  -0.424   2.505
   11    HE2  MET   1           HE2      MET   1  -9.758  -1.268   1.485
   12    HE3  MET   1           HE3      MET   1 -11.219  -0.582   0.773
   13    H    ASP   2           HN       ASP   2 -12.384   3.426  -2.461
   14    HA   ASP   2           HA       ASP   2 -12.026   5.694  -2.645
   15    HB2  ASP   2           HB2      ASP   2 -11.159   4.973   0.097
   16    HB3  ASP   2           HB1      ASP   2 -10.553   6.485  -0.525
   17    H    TRP   3           HN       TRP   3 -10.179   3.447  -3.238
   18    HA   TRP   3           HA       TRP   3  -7.693   3.531  -2.987
   19    HB2  TRP   3           HB1      TRP   3  -9.318   3.023  -5.302
   20    HB3  TRP   3           HB2      TRP   3  -7.593   3.182  -5.581
   21    HD1  TRP   3           HD1      TRP   3  -9.435   0.572  -5.583
   22    HE1  TRP   3           HE1      TRP   3  -8.606  -1.530  -4.336
   23    HE3  TRP   3           HE3      TRP   3  -6.366   2.865  -2.333
   24    HZ2  TRP   3           HZ2      TRP   3  -6.839  -2.058  -2.175
   25    HZ3  TRP   3           HZ3      TRP   3  -5.159   1.532  -0.684
   26    HH2  TRP   3           HH2      TRP   3  -5.385  -0.875  -0.606
   27    H    GLY   4           HN       GLY   4  -6.091   4.126  -3.643
   28    HA2  GLY   4           HA2      GLY   4  -4.820   5.817  -5.057
   29    HA3  GLY   4           HA1      GLY   4  -5.706   6.986  -4.061
   30    H    THR   5           HN       THR   5  -5.616   4.418  -2.292
   31    HA   THR   5           HA       THR   5  -3.256   5.089  -0.763
   32    HB   THR   5           HB       THR   5  -5.970   4.100  -0.167
   33    HG1  THR   5           HG1      THR   5  -5.662   6.089   0.592
   34   HG21  THR   5          HG21      THR   5  -4.270   2.300   0.565
   35   HG22  THR   5          HG22      THR   5  -5.462   2.859   1.741
   36   HG23  THR   5          HG23      THR   5  -3.803   3.459   1.810
   37    H    LEU   6           HN       LEU   6  -4.223   3.036  -3.078
   38    HA   LEU   6           HA       LEU   6  -3.085   0.606  -2.087
   39    HB2  LEU   6           HB1      LEU   6  -3.531  -0.302  -4.340
   40    HB3  LEU   6           HB2      LEU   6  -4.925   0.341  -3.517
   41    HG   LEU   6           HG       LEU   6  -3.535   1.601  -5.856
   42   HD11  LEU   6          HD11      LEU   6  -6.363   0.703  -5.542
   43   HD12  LEU   6          HD12      LEU   6  -5.098  -0.406  -6.106
   44   HD13  LEU   6          HD13      LEU   6  -5.489   1.040  -7.045
   45   HD21  LEU   6          HD21      LEU   6  -5.915   2.554  -4.315
   46   HD22  LEU   6          HD22      LEU   6  -5.300   3.251  -5.824
   47   HD23  LEU   6          HD23      LEU   6  -4.329   3.344  -4.356
   48    H    GLN   7           HN       GLN   7  -2.299   2.028  -5.151
   49    HA   GLN   7           HA       GLN   7   0.139   1.346  -5.649
   50    HB2  GLN   7           HB1      GLN   7   0.527   4.077  -5.850
   51    HB3  GLN   7           HB2      GLN   7  -0.169   3.043  -7.097
   52    HG2  GLN   7           HG1      GLN   7  -1.632   4.880  -6.776
   53    HG3  GLN   7           HG2      GLN   7  -2.384   3.463  -6.031
   54   HE21  GLN   7          HE21      GLN   7  -2.511   3.312  -3.828
   55   HE22  GLN   7          HE22      GLN   7  -2.259   4.645  -2.777
   56    H    THR   8           HN       THR   8  -0.697   3.267  -2.857
   57    HA   THR   8           HA       THR   8   2.091   3.582  -2.089
   58    HB   THR   8           HB       THR   8   0.658   5.559  -1.863
   59    HG1  THR   8           HG1      THR   8   1.196   4.797   0.785
   60   HG21  THR   8          HG21      THR   8  -1.151   3.673  -0.856
   61   HG22  THR   8          HG22      THR   8  -1.389   5.421  -1.008
   62   HG23  THR   8          HG23      THR   8  -0.760   4.744   0.496
   63    H    ILE   9           HN       ILE   9  -0.829   2.008  -1.090
   64    HA   ILE   9           HA       ILE   9   0.661   0.573   0.958
   65    HB   ILE   9           HB       ILE   9  -2.315   0.973   0.888
   66   HG12  ILE   9          HG11      ILE   9  -1.131   3.048   1.446
   67   HG13  ILE   9          HG12      ILE   9  -1.976   2.413   2.854
   68   HG21  ILE   9          HG21      ILE   9  -0.554  -0.345   2.947
   69   HG22  ILE   9          HG22      ILE   9  -1.724  -1.143   1.897
   70   HG23  ILE   9          HG23      ILE   9  -2.276  -0.019   3.139
   71   HD11  ILE   9          HD11      ILE   9   0.969   2.147   2.298
   72   HD12  ILE   9          HD12      ILE   9   0.122   1.514   3.710
   73   HD13  ILE   9          HD13      ILE   9   0.219   3.255   3.447
   74    H    LEU  10           HN       LEU  10  -1.680   0.381  -1.523
   75    HA   LEU  10           HA       LEU  10  -2.572  -1.243  -2.801
   76    HB2  LEU  10           HB2      LEU  10  -0.274  -0.986  -3.619
   77    HB3  LEU  10           HB1      LEU  10   0.199  -2.367  -2.648
   78    HG   LEU  10           HG       LEU  10  -1.136  -3.848  -3.990
   79   HD11  LEU  10          HD11      LEU  10  -2.945  -1.995  -4.313
   80   HD12  LEU  10          HD12      LEU  10  -2.714  -3.216  -5.562
   81   HD13  LEU  10          HD13      LEU  10  -2.021  -1.607  -5.763
   82   HD21  LEU  10          HD21      LEU  10   0.402  -1.857  -5.615
   83   HD22  LEU  10          HD22      LEU  10  -0.153  -3.410  -6.242
   84   HD23  LEU  10          HD23      LEU  10   1.013  -3.356  -4.916
   85    H    GLY  11           HN       GLY  11  -2.896  -3.556  -3.209
   86    HA2  GLY  11           HA1      GLY  11  -4.076  -4.826  -1.079
   87    HA3  GLY  11           HA2      GLY  11  -3.560  -5.603  -2.567
   88    H    GLY  12           HN       GLY  12  -0.736  -4.709  -1.916
   89    HA2  GLY  12           HA2      GLY  12   0.223  -5.736   0.453
   90    HA3  GLY  12           HA1      GLY  12   0.067  -7.120  -0.618
   91    H    VAL  13           HN       VAL  13   0.921  -3.854  -1.642
   92    HA   VAL  13           HA       VAL  13   3.094  -4.678  -3.175
   93    HB   VAL  13           HB       VAL  13   1.992  -2.538  -3.554
   94   HG11  VAL  13          HG11      VAL  13   1.980  -2.219  -0.947
   95   HG12  VAL  13          HG12      VAL  13   1.902  -0.842  -2.045
   96   HG13  VAL  13          HG13      VAL  13   3.434  -1.285  -1.288
   97   HG21  VAL  13          HG21      VAL  13   4.922  -2.244  -2.888
   98   HG22  VAL  13          HG22      VAL  13   3.988  -1.164  -3.924
   99   HG23  VAL  13          HG23      VAL  13   4.257  -2.838  -4.410
  100    H    ASN  14           HN       ASN  14   5.274  -4.795  -2.850
  101    HA   ASN  14           HA       ASN  14   6.271  -4.228  -0.143
  102    HB2  ASN  14           HB1      ASN  14   5.835  -6.672  -0.435
  103    HB3  ASN  14           HB2      ASN  14   6.992  -6.680  -1.762
  104   HD21  ASN  14          HD21      ASN  14   8.725  -5.624   1.758
  105   HD22  ASN  14          HD22      ASN  14   7.378  -4.750   1.121
  106    H    LYS  15           HN       LYS  15   6.424  -3.182  -3.094
  107    HA   LYS  15           HA       LYS  15   9.233  -3.307  -3.685
  108    HB2  LYS  15           HB1      LYS  15   7.075  -1.533  -4.842
  109    HB3  LYS  15           HB2      LYS  15   8.695  -1.729  -5.495
  110    HG2  LYS  15           HG2      LYS  15   8.242  -4.085  -5.935
  111    HG3  LYS  15           HG1      LYS  15   6.619  -3.899  -5.264
  112    HD2  LYS  15           HD1      LYS  15   6.091  -2.259  -7.007
  113    HD3  LYS  15           HD2      LYS  15   7.711  -2.458  -7.681
  114    HE2  LYS  15           HE1      LYS  15   5.608  -4.608  -7.455
  115    HE3  LYS  15           HE2      LYS  15   6.064  -3.758  -8.930
  116    HZ1  LYS  15           HZ1      LYS  15   7.132  -5.918  -8.784
  117    HZ2  LYS  15           HZ2      LYS  15   7.856  -5.491  -7.316
  118    HZ3  LYS  15           HZ3      LYS  15   8.285  -4.681  -8.738
  119    H    HIS  16           HN       HIS  16   7.452  -1.597  -1.461
  120    HA   HIS  16           HA       HIS  16   9.257   0.720  -1.511
  121    HB2  HIS  16           HB1      HIS  16   6.664   0.318  -0.007
  122    HB3  HIS  16           HB2      HIS  16   7.635   1.786   0.007
  123    HD1  HIS  16           HD1      HIS  16   5.063  -0.001  -1.931
  124    HD2  HIS  16           HD2      HIS  16   7.631   3.219  -2.479
  125    HE1  HIS  16           HE1      HIS  16   4.190   1.218  -3.949
  126    HE2  HIS  16           HE2      HIS  16   5.758   3.165  -4.263
  127    H    SER  17           HN       SER  17   9.589   1.593   0.862
  128    HA   SER  17           HA       SER  17  11.056  -0.477   2.237
  129    HB2  SER  17           HB1      SER  17  12.035   1.758   1.990
  130    HB3  SER  17           HB2      SER  17  10.697   2.457   2.901
  131    HG   SER  17           HG       SER  17  12.940   1.521   3.863
  132    H    THR  18           HN       THR  18  10.909  -0.589   4.674
  133    HA   THR  18           HA       THR  18   8.311  -1.403   5.417
  134    HB   THR  18           HB       THR  18   9.239  -1.694   7.686
  135    HG1  THR  18           HG1      THR  18  10.674  -0.049   7.944
  136   HG21  THR  18          HG21      THR  18   9.595  -3.445   6.021
  137   HG22  THR  18          HG22      THR  18  10.981  -3.324   7.105
  138   HG23  THR  18          HG23      THR  18  11.070  -2.644   5.480
  139    H    SER  19           HN       SER  19   6.715   0.063   5.539
  140    HA   SER  19           HA       SER  19   6.701   1.948   7.669
  141    HB2  SER  19           HB1      SER  19   8.013   3.254   6.043
  142    HB3  SER  19           HB2      SER  19   6.724   3.059   4.855
  143    HG   SER  19           HG       SER  19   5.819   4.049   7.227
  144    H    ILE  20           HN       ILE  20   5.240  -0.213   5.963
  145    HA   ILE  20           HA       ILE  20   2.608   1.104   5.911
  146    HB   ILE  20           HB       ILE  20   1.889  -0.743   4.439
  147   HG12  ILE  20          HG12      ILE  20   4.812  -1.525   4.530
  148   HG13  ILE  20          HG11      ILE  20   3.478  -2.446   5.214
  149   HG21  ILE  20          HG21      ILE  20   4.327   0.736   3.461
  150   HG22  ILE  20          HG22      ILE  20   2.679   1.363   3.490
  151   HG23  ILE  20          HG23      ILE  20   3.087   0.001   2.446
  152   HD11  ILE  20          HD11      ILE  20   3.923  -1.878   2.295
  153   HD12  ILE  20          HD12      ILE  20   2.559  -2.768   2.970
  154   HD13  ILE  20          HD13      ILE  20   4.194  -3.412   3.121
  155    H    GLY  21           HN       GLY  21   0.874  -0.900   6.059
  156    HA2  GLY  21           HA1      GLY  21  -0.101  -2.493   7.412
  157    HA3  GLY  21           HA2      GLY  21   1.496  -2.855   8.050
  158    H    LYS  22           HN       LYS  22   0.894  -2.969  10.187
  159    HA   LYS  22           HA       LYS  22  -0.507  -0.731  11.401
  160    HB2  LYS  22           HB2      LYS  22   0.465  -3.376  12.481
  161    HB3  LYS  22           HB1      LYS  22  -0.245  -2.136  13.504
  162    HG2  LYS  22           HG1      LYS  22  -1.966  -3.668  13.007
  163    HG3  LYS  22           HG2      LYS  22  -2.280  -2.232  12.032
  164    HD2  LYS  22           HD1      LYS  22  -2.642  -4.195  10.684
  165    HD3  LYS  22           HD2      LYS  22  -1.202  -3.356  10.105
  166    HE2  LYS  22           HE2      LYS  22  -0.837  -5.764  10.180
  167    HE3  LYS  22           HE1      LYS  22   0.213  -4.930  11.325
  168    HZ1  LYS  22           HZ1      LYS  22  -0.758  -6.902  12.309
  169    HZ2  LYS  22           HZ2      LYS  22  -2.319  -6.330  11.997
  170    HZ3  LYS  22           HZ3      LYS  22  -1.325  -5.517  13.099
  Start of MODEL    2
    1    H1   ACE   0           HA1      ACE   0 -15.474   1.208  -1.431
    2    H2   ACE   0           HA2      ACE   0 -14.247   0.694  -2.587
    3    H3   ACE   0           HA3      ACE   0 -14.732   2.388  -2.553
    4    H    MET   1           HN       MET   1 -12.073   1.397  -2.281
    5    HA   MET   1           HA       MET   1 -11.422   1.738   0.530
    6    HB2  MET   1           HB1      MET   1 -10.293  -0.024  -0.775
    7    HB3  MET   1           HB2      MET   1  -9.596   1.225  -1.804
    8    HG2  MET   1           HG1      MET   1  -8.223   0.195   0.154
    9    HG3  MET   1           HG2      MET   1  -8.107   1.920  -0.215
   10    HE1  MET   1           HE1      MET   1  -7.066   2.369   2.193
   11    HE2  MET   1           HE2      MET   1  -7.152   0.644   2.548
   12    HE3  MET   1           HE3      MET   1  -7.797   1.814   3.699
   13    H    ASP   2           HN       ASP   2 -12.265   3.872  -1.645
   14    HA   ASP   2           HA       ASP   2 -11.812   6.113  -1.933
   15    HB2  ASP   2           HB2      ASP   2 -10.726   5.418   0.737
   16    HB3  ASP   2           HB1      ASP   2 -10.102   6.877   0.015
   17    H    TRP   3           HN       TRP   3 -10.145   3.757  -2.627
   18    HA   TRP   3           HA       TRP   3  -7.645   3.715  -2.613
   19    HB2  TRP   3           HB1      TRP   3  -9.505   3.236  -4.749
   20    HB3  TRP   3           HB2      TRP   3  -7.808   3.297  -5.192
   21    HD1  TRP   3           HD1      TRP   3  -9.772   0.788  -4.942
   22    HE1  TRP   3           HE1      TRP   3  -8.935  -1.322  -3.715
   23    HE3  TRP   3           HE3      TRP   3  -6.295   2.999  -2.068
   24    HZ2  TRP   3           HZ2      TRP   3  -6.998  -1.887  -1.715
   25    HZ3  TRP   3           HZ3      TRP   3  -5.003   1.645  -0.500
   26    HH2  TRP   3           HH2      TRP   3  -5.343  -0.742  -0.328
   27    H    GLY   4           HN       GLY   4  -6.085   4.210  -3.431
   28    HA2  GLY   4           HA2      GLY   4  -4.870   5.797  -5.007
   29    HA3  GLY   4           HA1      GLY   4  -5.598   7.034  -3.968
   30    H    THR   5           HN       THR   5  -5.471   4.510  -2.139
   31    HA   THR   5           HA       THR   5  -2.945   5.095  -0.858
   32    HB   THR   5           HB       THR   5  -5.635   4.261   0.018
   33    HG1  THR   5           HG1      THR   5  -4.968   5.616   1.811
   34   HG21  THR   5          HG21      THR   5  -3.960   2.395   0.638
   35   HG22  THR   5          HG22      THR   5  -5.010   3.039   1.902
   36   HG23  THR   5          HG23      THR   5  -3.325   3.559   1.803
   37    H    LEU   6           HN       LEU   6  -4.225   3.040  -3.014
   38    HA   LEU   6           HA       LEU   6  -3.115   0.580  -2.063
   39    HB2  LEU   6           HB1      LEU   6  -3.822  -0.362  -4.234
   40    HB3  LEU   6           HB2      LEU   6  -5.098   0.374  -3.302
   41    HG   LEU   6           HG       LEU   6  -3.879   1.500  -5.801
   42   HD11  LEU   6          HD11      LEU   6  -6.706   0.759  -5.194
   43   HD12  LEU   6          HD12      LEU   6  -5.557  -0.431  -5.837
   44   HD13  LEU   6          HD13      LEU   6  -5.962   1.008  -6.783
   45   HD21  LEU   6          HD21      LEU   6  -6.052   2.614  -4.072
   46   HD22  LEU   6          HD22      LEU   6  -5.549   3.240  -5.652
   47   HD23  LEU   6          HD23      LEU   6  -4.439   3.319  -4.285
   48    H    GLN   7           HN       GLN   7  -2.562   1.880  -5.232
   49    HA   GLN   7           HA       GLN   7  -0.218   1.068  -5.938
   50    HB2  GLN   7           HB1      GLN   7   0.280   3.770  -6.250
   51    HB3  GLN   7           HB2      GLN   7  -0.581   2.745  -7.397
   52    HG2  GLN   7           HG1      GLN   7  -1.916   4.660  -6.990
   53    HG3  GLN   7           HG2      GLN   7  -2.661   3.302  -6.139
   54   HE21  GLN   7          HE21      GLN   7  -2.584   3.210  -3.930
   55   HE22  GLN   7          HE22      GLN   7  -2.167   4.552  -2.945
   56    H    THR   8           HN       THR   8  -0.689   3.101  -3.137
   57    HA   THR   8           HA       THR   8   2.172   3.287  -2.644
   58    HB   THR   8           HB       THR   8   0.875   5.340  -2.330
   59    HG1  THR   8           HG1      THR   8   2.703   4.472  -0.801
   60   HG21  THR   8          HG21      THR   8  -0.930   3.569  -1.117
   61   HG22  THR   8          HG22      THR   8  -1.098   5.320  -1.308
   62   HG23  THR   8          HG23      THR   8  -0.372   4.659   0.159
   63    H    ILE   9           HN       ILE   9  -0.713   1.894  -1.324
   64    HA   ILE   9           HA       ILE   9   0.896   0.422   0.606
   65    HB   ILE   9           HB       ILE   9  -2.057   0.934   0.795
   66   HG12  ILE   9          HG11      ILE   9  -0.775   2.988   1.169
   67   HG13  ILE   9          HG12      ILE   9  -1.490   2.422   2.674
   68   HG21  ILE   9          HG21      ILE   9  -1.364  -1.180   1.806
   69   HG22  ILE   9          HG22      ILE   9  -1.885  -0.020   3.028
   70   HG23  ILE   9          HG23      ILE   9  -0.166  -0.324   2.777
   71   HD11  ILE   9          HD11      ILE   9   0.664   1.484   3.341
   72   HD12  ILE   9          HD12      ILE   9   0.768   3.216   3.028
   73   HD13  ILE   9          HD13      ILE   9   1.378   2.067   1.838
   74    H    LEU  10           HN       LEU  10  -1.678   0.285  -1.637
   75    HA   LEU  10           HA       LEU  10  -2.749  -1.322  -2.795
   76    HB2  LEU  10           HB2      LEU  10  -0.517  -1.172  -3.819
   77    HB3  LEU  10           HB1      LEU  10  -0.028  -2.569  -2.880
   78    HG   LEU  10           HG       LEU  10  -1.540  -3.992  -4.084
   79   HD11  LEU  10          HD11      LEU  10  -3.306  -2.095  -4.241
   80   HD12  LEU  10          HD12      LEU  10  -3.217  -3.291  -5.532
   81   HD13  LEU  10          HD13      LEU  10  -2.497  -1.697  -5.755
   82   HD21  LEU  10          HD21      LEU  10  -0.091  -2.072  -5.872
   83   HD22  LEU  10          HD22      LEU  10  -0.755  -3.613  -6.419
   84   HD23  LEU  10          HD23      LEU  10   0.535  -3.582  -5.211
   85    H    GLY  11           HN       GLY  11  -3.146  -3.657  -3.136
   86    HA2  GLY  11           HA1      GLY  11  -4.215  -4.837  -0.905
   87    HA3  GLY  11           HA2      GLY  11  -3.796  -5.675  -2.391
   88    H    GLY  12           HN       GLY  12  -0.917  -4.854  -1.950
   89    HA2  GLY  12           HA2      GLY  12   0.107  -5.854   0.427
   90    HA3  GLY  12           HA1      GLY  12  -0.087  -7.234  -0.642
   91    H    VAL  13           HN       VAL  13   0.703  -4.035  -1.844
   92    HA   VAL  13           HA       VAL  13   2.942  -4.956  -3.265
   93    HB   VAL  13           HB       VAL  13   1.625  -2.910  -3.840
   94   HG11  VAL  13          HG11      VAL  13   2.251  -2.212  -1.254
   95   HG12  VAL  13          HG12      VAL  13   1.497  -1.170  -2.461
   96   HG13  VAL  13          HG13      VAL  13   3.248  -1.136  -2.230
   97   HG21  VAL  13          HG21      VAL  13   4.613  -2.562  -3.600
   98   HG22  VAL  13          HG22      VAL  13   3.553  -1.640  -4.666
   99   HG23  VAL  13          HG23      VAL  13   3.763  -3.374  -4.915
  100    H    ASN  14           HN       ASN  14   5.160  -4.652  -2.964
  101    HA   ASN  14           HA       ASN  14   6.094  -3.575  -0.433
  102    HB2  ASN  14           HB1      ASN  14   5.623  -5.912   0.122
  103    HB3  ASN  14           HB2      ASN  14   6.617  -6.446  -1.230
  104   HD21  ASN  14          HD21      ASN  14   9.142  -6.841   1.131
  105   HD22  ASN  14          HD22      ASN  14   7.995  -7.606   0.089
  106    H    LYS  15           HN       LYS  15   7.266  -2.037  -1.502
  107    HA   LYS  15           HA       LYS  15   9.730  -2.941  -2.722
  108    HB2  LYS  15           HB1      LYS  15   9.440  -1.518  -4.734
  109    HB3  LYS  15           HB2      LYS  15   8.309  -2.863  -4.673
  110    HG2  LYS  15           HG2      LYS  15   6.560  -1.356  -3.871
  111    HG3  LYS  15           HG1      LYS  15   7.696  -0.007  -3.941
  112    HD2  LYS  15           HD2      LYS  15   7.944  -0.342  -6.353
  113    HD3  LYS  15           HD1      LYS  15   6.810  -1.692  -6.282
  114    HE2  LYS  15           HE1      LYS  15   5.054  -0.183  -5.505
  115    HE3  LYS  15           HE2      LYS  15   6.186   1.168  -5.559
  116    HZ1  LYS  15           HZ1      LYS  15   5.323  -0.452  -7.894
  117    HZ2  LYS  15           HZ2      LYS  15   6.398   0.852  -7.942
  118    HZ3  LYS  15           HZ3      LYS  15   4.780   1.107  -7.522
  119    H    HIS  16           HN       HIS  16   8.163  -1.002  -0.661
  120    HA   HIS  16           HA       HIS  16   9.888   1.334  -1.026
  121    HB2  HIS  16           HB1      HIS  16   7.568   0.870   0.858
  122    HB3  HIS  16           HB2      HIS  16   8.478   2.371   0.728
  123    HD1  HIS  16           HD1      HIS  16   5.675   0.532  -0.754
  124    HD2  HIS  16           HD2      HIS  16   8.122   3.723  -1.804
  125    HE1  HIS  16           HE1      HIS  16   4.495   1.689  -2.650
  126    HE2  HIS  16           HE2      HIS  16   5.994   3.617  -3.270
  127    H    SER  17           HN       SER  17  10.457   2.309   1.309
  128    HA   SER  17           HA       SER  17  12.383   0.500   2.395
  129    HB2  SER  17           HB1      SER  17  12.947   2.366   3.912
  130    HB3  SER  17           HB2      SER  17  12.858   2.897   2.232
  131    HG   SER  17           HG       SER  17  11.664   4.378   3.236
  132    H    THR  18           HN       THR  18  12.551   0.569   4.957
  133    HA   THR  18           HA       THR  18  10.132  -0.750   5.898
  134    HB   THR  18           HB       THR  18  11.475  -1.469   7.811
  135    HG1  THR  18           HG1      THR  18  12.870   0.240   8.123
  136   HG21  THR  18          HG21      THR  18  11.569  -2.687   5.615
  137   HG22  THR  18          HG22      THR  18  12.967  -2.935   6.659
  138   HG23  THR  18          HG23      THR  18  13.078  -1.838   5.283
  139    H    SER  19           HN       SER  19  10.730   2.297   5.643
  140    HA   SER  19           HA       SER  19  10.387   3.196   8.371
  141    HB2  SER  19           HB2      SER  19  10.358   4.735   5.768
  142    HB3  SER  19           HB1      SER  19  10.356   5.458   7.376
  143    HG   SER  19           HG       SER  19  12.459   5.265   6.311
  144    H    ILE  20           HN       ILE  20   8.372   1.643   6.570
  145    HA   ILE  20           HA       ILE  20   6.054   3.402   7.003
  146    HB   ILE  20           HB       ILE  20   4.847   1.899   5.454
  147   HG12  ILE  20          HG12      ILE  20   7.565   0.612   5.100
  148   HG13  ILE  20          HG11      ILE  20   6.165  -0.136   5.863
  149   HG21  ILE  20          HG21      ILE  20   7.410   3.044   4.352
  150   HG22  ILE  20          HG22      ILE  20   5.909   3.928   4.621
  151   HG23  ILE  20          HG23      ILE  20   5.972   2.646   3.411
  152   HD11  ILE  20          HD11      ILE  20   4.961  -0.042   3.742
  153   HD12  ILE  20          HD12      ILE  20   6.463  -0.956   3.607
  154   HD13  ILE  20          HD13      ILE  20   6.371   0.689   2.978
  155    H    GLY  21           HN       GLY  21   3.998   1.682   7.111
  156    HA2  GLY  21           HA2      GLY  21   4.439  -0.540   8.852
  157    HA3  GLY  21           HA1      GLY  21   3.848   0.863   9.732
  158    H    LYS  22           HN       LYS  22   2.285  -1.252   9.889
  159    HA   LYS  22           HA       LYS  22   0.141  -0.783   7.926
  160    HB2  LYS  22           HB1      LYS  22  -0.657  -3.096   8.605
  161    HB3  LYS  22           HB2      LYS  22   0.823  -3.028   7.661
  162    HG2  LYS  22           HG2      LYS  22   0.953  -3.137  10.643
  163    HG3  LYS  22           HG1      LYS  22   0.676  -4.605   9.705
  164    HD2  LYS  22           HD2      LYS  22   2.735  -4.178   8.442
  165    HD3  LYS  22           HD1      LYS  22   3.015  -2.723   9.401
  166    HE2  LYS  22           HE2      LYS  22   3.150  -4.083  11.427
  167    HE3  LYS  22           HE1      LYS  22   2.863  -5.538  10.473
  168    HZ1  LYS  22           HZ1      LYS  22   5.193  -3.716  10.195
  169    HZ2  LYS  22           HZ2      LYS  22   4.919  -5.108   9.273
  170    HZ3  LYS  22           HZ3      LYS  22   5.211  -5.239  10.934
  Start of MODEL    3
    1    H1   ACE   0           HA1      ACE   0 -14.862   1.614  -1.017
    2    H2   ACE   0           HA2      ACE   0 -14.680  -0.134  -0.892
    3    H3   ACE   0           HA3      ACE   0 -13.825   0.724  -2.172
    4    H    MET   1           HN       MET   1 -12.170   2.249  -1.541
    5    HA   MET   1           HA       MET   1 -11.095   1.945   1.141
    6    HB2  MET   1           HB1      MET   1 -10.083   0.121  -0.175
    7    HB3  MET   1           HB2      MET   1  -9.455   1.321  -1.302
    8    HG2  MET   1           HG1      MET   1  -7.948   0.350   0.587
    9    HG3  MET   1           HG2      MET   1  -7.844   2.059   0.143
   10    HE1  MET   1           HE1      MET   1  -6.611   2.560   2.451
   11    HE2  MET   1           HE2      MET   1  -6.708   0.853   2.884
   12    HE3  MET   1           HE3      MET   1  -7.242   2.085   4.028
   13    H    ASP   2           HN       ASP   2 -12.081   4.000  -1.049
   14    HA   ASP   2           HA       ASP   2 -11.633   6.222  -1.462
   15    HB2  ASP   2           HB2      ASP   2 -10.354   5.623   1.146
   16    HB3  ASP   2           HB1      ASP   2  -9.779   7.047   0.319
   17    H    TRP   3           HN       TRP   3 -10.043   3.822  -2.184
   18    HA   TRP   3           HA       TRP   3  -7.548   3.755  -2.356
   19    HB2  TRP   3           HB1      TRP   3  -9.570   3.209  -4.325
   20    HB3  TRP   3           HB2      TRP   3  -7.910   3.233  -4.897
   21    HD1  TRP   3           HD1      TRP   3  -9.871   0.759  -4.396
   22    HE1  TRP   3           HE1      TRP   3  -8.960  -1.310  -3.150
   23    HE3  TRP   3           HE3      TRP   3  -6.169   3.044  -1.883
   24    HZ2  TRP   3           HZ2      TRP   3  -6.882  -1.815  -1.279
   25    HZ3  TRP   3           HZ3      TRP   3  -4.773   1.741  -0.363
   26    HH2  TRP   3           HH2      TRP   3  -5.118  -0.635  -0.068
   27    H    GLY   4           HN       GLY   4  -6.053   4.197  -3.316
   28    HA2  GLY   4           HA2      GLY   4  -4.948   5.703  -5.040
   29    HA3  GLY   4           HA1      GLY   4  -5.587   6.991  -4.005
   30    H    THR   5           HN       THR   5  -5.342   4.543  -2.086
   31    HA   THR   5           HA       THR   5  -2.724   5.153  -1.021
   32    HB   THR   5           HB       THR   5  -5.347   4.384   0.086
   33    HG1  THR   5           HG1      THR   5  -4.848   6.373   0.687
   34   HG21  THR   5          HG21      THR   5  -3.646   2.530   0.661
   35   HG22  THR   5          HG22      THR   5  -4.591   3.241   1.972
   36   HG23  THR   5          HG23      THR   5  -2.916   3.735   1.721
   37    H    LEU   6           HN       LEU   6  -4.178   3.023  -2.986
   38    HA   LEU   6           HA       LEU   6  -3.020   0.594  -2.018
   39    HB2  LEU   6           HB1      LEU   6  -3.892  -0.428  -4.088
   40    HB3  LEU   6           HB2      LEU   6  -5.090   0.358  -3.096
   41    HG   LEU   6           HG       LEU   6  -4.053   1.367  -5.723
   42   HD11  LEU   6          HD11      LEU   6  -6.831   0.683  -4.875
   43   HD12  LEU   6          HD12      LEU   6  -5.744  -0.545  -5.555
   44   HD13  LEU   6          HD13      LEU   6  -6.209   0.859  -6.524
   45   HD21  LEU   6          HD21      LEU   6  -6.079   2.576  -3.884
   46   HD22  LEU   6          HD22      LEU   6  -5.694   3.130  -5.522
   47   HD23  LEU   6          HD23      LEU   6  -4.482   3.253  -4.248
   48    H    GLN   7           HN       GLN   7  -2.693   1.759  -5.269
   49    HA   GLN   7           HA       GLN   7  -0.415   0.892  -6.113
   50    HB2  GLN   7           HB1      GLN   7   0.083   3.572  -6.571
   51    HB3  GLN   7           HB2      GLN   7  -0.869   2.512  -7.608
   52    HG2  GLN   7           HG1      GLN   7  -2.154   4.457  -7.184
   53    HG3  GLN   7           HG2      GLN   7  -2.845   3.143  -6.224
   54   HE21  GLN   7          HE21      GLN   7  -2.606   3.139  -4.027
   55   HE22  GLN   7          HE22      GLN   7  -2.106   4.516  -3.131
   56    H    THR   8           HN       THR   8  -0.659   3.041  -3.370
   57    HA   THR   8           HA       THR   8   2.232   3.211  -3.097
   58    HB   THR   8           HB       THR   8   0.980   5.291  -2.775
   59    HG1  THR   8           HG1      THR   8   2.950   4.814  -1.543
   60   HG21  THR   8          HG21      THR   8  -0.746   3.596  -1.357
   61   HG22  THR   8          HG22      THR   8  -0.909   5.340  -1.605
   62   HG23  THR   8          HG23      THR   8  -0.081   4.727  -0.172
   63    H    ILE   9           HN       ILE   9  -0.562   1.911  -1.508
   64    HA   ILE   9           HA       ILE   9   1.173   0.504   0.360
   65    HB   ILE   9           HB       ILE   9  -1.753   1.064   0.737
   66   HG12  ILE   9          HG11      ILE   9  -0.415   3.106   0.943
   67   HG13  ILE   9          HG12      ILE   9  -1.034   2.610   2.514
   68   HG21  ILE   9          HG21      ILE   9   0.264  -0.195   2.589
   69   HG22  ILE   9          HG22      ILE   9  -1.080  -1.012   1.791
   70   HG23  ILE   9          HG23      ILE   9  -1.397   0.217   3.015
   71   HD11  ILE   9          HD11      ILE   9   1.762   2.161   1.501
   72   HD12  ILE   9          HD12      ILE   9   1.142   1.664   3.075
   73   HD13  ILE   9          HD13      ILE   9   1.259   3.378   2.674
   74    H    LEU  10           HN       LEU  10  -1.554   0.298  -1.689
   75    HA   LEU  10           HA       LEU  10  -2.719  -1.346  -2.693
   76    HB2  LEU  10           HB2      LEU  10  -0.571  -1.255  -3.887
   77    HB3  LEU  10           HB1      LEU  10  -0.018  -2.615  -2.931
   78    HG   LEU  10           HG       LEU  10  -1.622  -4.075  -3.958
   79   HD11  LEU  10          HD11      LEU  10  -3.382  -2.163  -4.065
   80   HD12  LEU  10          HD12      LEU  10  -3.403  -3.425  -5.296
   81   HD13  LEU  10          HD13      LEU  10  -2.690  -1.853  -5.656
   82   HD21  LEU  10          HD21      LEU  10  -0.300  -2.243  -5.927
   83   HD22  LEU  10          HD22      LEU  10  -1.010  -3.800  -6.358
   84   HD23  LEU  10          HD23      LEU  10   0.364  -3.729  -5.251
   85    H    GLY  11           HN       GLY  11  -3.162  -3.682  -2.909
   86    HA2  GLY  11           HA1      GLY  11  -4.043  -4.764  -0.540
   87    HA3  GLY  11           HA2      GLY  11  -3.794  -5.652  -2.036
   88    H    GLY  12           HN       GLY  12  -0.871  -4.882  -1.913
   89    HA2  GLY  12           HA2      GLY  12   0.378  -5.835   0.372
   90    HA3  GLY  12           HA1      GLY  12   0.042  -7.243  -0.623
   91    H    VAL  13           HN       VAL  13   0.792  -4.079  -1.955
   92    HA   VAL  13           HA       VAL  13   2.786  -5.055  -3.648
   93    HB   VAL  13           HB       VAL  13   1.581  -2.948  -4.058
   94   HG11  VAL  13          HG11      VAL  13   2.107  -2.378  -1.511
   95   HG12  VAL  13          HG12      VAL  13   1.693  -1.148  -2.706
   96   HG13  VAL  13          HG13      VAL  13   3.383  -1.438  -2.281
   97   HG21  VAL  13          HG21      VAL  13   3.489  -1.669  -4.909
   98   HG22  VAL  13          HG22      VAL  13   3.661  -3.392  -5.251
   99   HG23  VAL  13          HG23      VAL  13   4.582  -2.657  -3.939
  100    H    ASN  14           HN       ASN  14   5.036  -4.939  -3.612
  101    HA   ASN  14           HA       ASN  14   6.178  -4.744  -0.916
  102    HB2  ASN  14           HB1      ASN  14   7.282  -6.043  -3.414
  103    HB3  ASN  14           HB2      ASN  14   8.078  -6.028  -1.844
  104   HD21  ASN  14          HD21      ASN  14   5.105  -7.993  -0.590
  105   HD22  ASN  14          HD22      ASN  14   5.572  -6.343  -0.386
  106    H    LYS  15           HN       LYS  15   6.735  -2.661  -0.586
  107    HA   LYS  15           HA       LYS  15   8.812  -1.557  -2.316
  108    HB2  LYS  15           HB1      LYS  15   6.268  -0.104  -1.580
  109    HB3  LYS  15           HB2      LYS  15   7.694   0.690  -2.231
  110    HG2  LYS  15           HG2      LYS  15   7.512  -0.678  -4.261
  111    HG3  LYS  15           HG1      LYS  15   6.052  -1.425  -3.608
  112    HD2  LYS  15           HD2      LYS  15   4.936   0.732  -3.569
  113    HD3  LYS  15           HD1      LYS  15   6.405   1.522  -4.147
  114    HE2  LYS  15           HE1      LYS  15   4.804  -0.550  -5.643
  115    HE3  LYS  15           HE2      LYS  15   4.803   1.184  -5.960
  116    HZ1  LYS  15           HZ1      LYS  15   7.152   1.049  -6.509
  117    HZ2  LYS  15           HZ2      LYS  15   6.250   0.009  -7.491
  118    HZ3  LYS  15           HZ3      LYS  15   7.152  -0.616  -6.205
  119    H    HIS  16           HN       HIS  16   7.665  -2.280   0.703
  120    HA   HIS  16           HA       HIS  16   8.927  -0.096   2.127
  121    HB2  HIS  16           HB2      HIS  16   7.686  -2.654   3.159
  122    HB3  HIS  16           HB1      HIS  16   8.213  -1.300   4.153
  123    HD1  HIS  16           HD1      HIS  16   5.355  -2.561   2.258
  124    HD2  HIS  16           HD2      HIS  16   6.632   1.104   3.741
  125    HE1  HIS  16           HE1      HIS  16   3.326  -1.075   2.216
  126    HE2  HIS  16           HE2      HIS  16   4.122   1.139   3.119
  127    H    SER  17           HN       SER  17  10.144  -2.613   0.509
  128    HA   SER  17           HA       SER  17  12.105  -3.762   0.522
  129    HB2  SER  17           HB1      SER  17  12.901  -1.642   2.533
  130    HB3  SER  17           HB2      SER  17  14.015  -2.728   1.704
  131    HG   SER  17           HG       SER  17  12.307  -0.825   0.470
  132    H    THR  18           HN       THR  18  13.896  -4.563   2.337
  133    HA   THR  18           HA       THR  18  12.411  -6.445   3.904
  134    HB   THR  18           HB       THR  18  14.613  -7.283   4.624
  135    HG1  THR  18           HG1      THR  18  15.793  -5.310   2.964
  136   HG21  THR  18          HG21      THR  18  13.690  -8.052   2.494
  137   HG22  THR  18          HG22      THR  18  15.448  -7.947   2.415
  138   HG23  THR  18          HG23      THR  18  14.455  -6.697   1.665
  139    H    SER  19           HN       SER  19  14.083  -6.693   6.158
  140    HA   SER  19           HA       SER  19  14.321  -5.983   8.300
  141    HB2  SER  19           HB2      SER  19  14.130  -3.221   7.085
  142    HB3  SER  19           HB1      SER  19  14.678  -3.580   8.722
  143    HG   SER  19           HG       SER  19  16.572  -3.925   7.910
  144    H    ILE  20           HN       ILE  20  11.627  -6.045   6.755
  145    HA   ILE  20           HA       ILE  20  10.011  -4.667   8.793
  146    HB   ILE  20           HB       ILE  20   8.134  -4.861   7.194
  147   HG12  ILE  20          HG12      ILE  20  10.260  -5.884   5.296
  148   HG13  ILE  20          HG11      ILE  20   8.961  -6.852   5.986
  149   HG21  ILE  20          HG21      ILE  20  10.588  -3.503   6.089
  150   HG22  ILE  20          HG22      ILE  20   9.475  -2.828   7.278
  151   HG23  ILE  20          HG23      ILE  20   8.922  -3.148   5.635
  152   HD11  ILE  20          HD11      ILE  20   8.452  -6.215   3.708
  153   HD12  ILE  20          HD12      ILE  20   8.618  -4.511   4.130
  154   HD13  ILE  20          HD13      ILE  20   7.315  -5.470   4.831
  155    H    GLY  21           HN       GLY  21   7.634  -5.969   8.549
  156    HA2  GLY  21           HA2      GLY  21   7.514  -8.700   8.414
  157    HA3  GLY  21           HA1      GLY  21   8.137  -8.375  10.025
  158    H    LYS  22           HN       LYS  22   6.021  -9.607  10.406
  159    HA   LYS  22           HA       LYS  22   3.672  -7.880  10.282
  160    HB2  LYS  22           HB1      LYS  22   4.050 -10.785  10.999
  161    HB3  LYS  22           HB2      LYS  22   2.522  -9.948  11.233
  162    HG2  LYS  22           HG1      LYS  22   2.360 -11.102   9.181
  163    HG3  LYS  22           HG2      LYS  22   2.562  -9.395   8.785
  164    HD2  LYS  22           HD1      LYS  22   3.944 -10.710   7.317
  165    HD3  LYS  22           HD2      LYS  22   4.980  -9.810   8.425
  166    HE2  LYS  22           HE1      LYS  22   5.763 -12.104   8.155
  167    HE3  LYS  22           HE2      LYS  22   5.240 -11.800   9.812
  168    HZ1  LYS  22           HZ1      LYS  22   3.145 -12.895   9.315
  169    HZ2  LYS  22           HZ2      LYS  22   4.445 -13.934   9.011
  170    HZ3  LYS  22           HZ3      LYS  22   3.644 -13.184   7.724
  Start of MODEL    4
    1    H1   ACE   0           HA1      ACE   0 -13.805   1.205  -2.704
    2    H2   ACE   0           HA2      ACE   0 -14.960   1.272  -1.375
    3    H3   ACE   0           HA3      ACE   0 -14.305  -0.291  -1.859
    4    H    MET   1           HN       MET   1 -12.095   2.289  -1.979
    5    HA   MET   1           HA       MET   1 -11.140   1.899   0.731
    6    HB2  MET   1           HB1      MET   1 -10.076   0.091  -0.567
    7    HB3  MET   1           HB2      MET   1  -9.382   1.306  -1.637
    8    HG2  MET   1           HG1      MET   1  -7.979   0.289   0.307
    9    HG3  MET   1           HG2      MET   1  -7.842   2.006  -0.098
   10    HE1  MET   1           HE1      MET   1  -7.439   1.931   3.816
   11    HE2  MET   1           HE2      MET   1  -6.736   2.478   2.294
   12    HE3  MET   1           HE3      MET   1  -6.842   0.754   2.647
   13    H    ASP   2           HN       ASP   2 -12.000   4.001  -1.470
   14    HA   ASP   2           HA       ASP   2 -11.515   6.226  -1.818
   15    HB2  ASP   2           HB2      ASP   2 -10.377   5.571   0.840
   16    HB3  ASP   2           HB1      ASP   2  -9.747   7.003   0.071
   17    H    TRP   3           HN       TRP   3  -9.907   3.826  -2.499
   18    HA   TRP   3           HA       TRP   3  -7.409   3.742  -2.546
   19    HB2  TRP   3           HB1      TRP   3  -9.330   3.248  -4.626
   20    HB3  TRP   3           HB2      TRP   3  -7.643   3.270  -5.111
   21    HD1  TRP   3           HD1      TRP   3  -9.644   0.803  -4.758
   22    HE1  TRP   3           HE1      TRP   3  -8.813  -1.295  -3.506
   23    HE3  TRP   3           HE3      TRP   3  -6.058   3.011  -2.019
   24    HZ2  TRP   3           HZ2      TRP   3  -6.838  -1.852  -1.543
   25    HZ3  TRP   3           HZ3      TRP   3  -4.751   1.669  -0.454
   26    HH2  TRP   3           HH2      TRP   3  -5.128  -0.709  -0.222
   27    H    GLY   4           HN       GLY   4  -5.861   4.188  -3.417
   28    HA2  GLY   4           HA2      GLY   4  -4.659   5.718  -5.055
   29    HA3  GLY   4           HA1      GLY   4  -5.340   6.992  -4.027
   30    H    THR   5           HN       THR   5  -5.210   4.504  -2.147
   31    HA   THR   5           HA       THR   5  -2.644   5.073  -0.941
   32    HB   THR   5           HB       THR   5  -5.326   4.307   0.019
   33    HG1  THR   5           HG1      THR   5  -4.979   6.066   1.132
   34   HG21  THR   5          HG21      THR   5  -3.669   2.425   0.640
   35   HG22  THR   5          HG22      THR   5  -4.675   3.116   1.916
   36   HG23  THR   5          HG23      THR   5  -2.985   3.603   1.761
   37    H    LEU   6           HN       LEU   6  -4.013   2.994  -3.018
   38    HA   LEU   6           HA       LEU   6  -2.923   0.537  -2.041
   39    HB2  LEU   6           HB1      LEU   6  -3.701  -0.439  -4.171
   40    HB3  LEU   6           HB2      LEU   6  -4.940   0.340  -3.225
   41    HG   LEU   6           HG       LEU   6  -3.764   1.388  -5.778
   42   HD11  LEU   6          HD11      LEU   6  -6.587   0.712  -5.084
   43   HD12  LEU   6          HD12      LEU   6  -5.477  -0.512  -5.730
   44   HD13  LEU   6          HD13      LEU   6  -5.880   0.913  -6.695
   45   HD21  LEU   6          HD21      LEU   6  -5.872   2.579  -4.020
   46   HD22  LEU   6          HD22      LEU   6  -5.400   3.161  -5.626
   47   HD23  LEU   6          HD23      LEU   6  -4.253   3.251  -4.290
   48    H    GLN   7           HN       GLN   7  -2.428   1.764  -5.250
   49    HA   GLN   7           HA       GLN   7  -0.118   0.893  -5.998
   50    HB2  GLN   7           HB1      GLN   7   0.424   3.579  -6.375
   51    HB3  GLN   7           HB2      GLN   7  -0.485   2.549  -7.480
   52    HG2  GLN   7           HG1      GLN   7  -1.774   4.496  -7.079
   53    HG3  GLN   7           HG2      GLN   7  -2.521   3.168  -6.181
   54   HE21  GLN   7          HE21      GLN   7  -2.390   3.118  -3.975
   55   HE22  GLN   7          HE22      GLN   7  -1.925   4.471  -3.027
   56    H    THR   8           HN       THR   8  -0.479   2.988  -3.226
   57    HA   THR   8           HA       THR   8   2.396   3.125  -2.807
   58    HB   THR   8           HB       THR   8   1.146   5.209  -2.500
   59    HG1  THR   8           HG1      THR   8   1.815   5.321  -0.063
   60   HG21  THR   8          HG21      THR   8  -0.662   3.500  -1.210
   61   HG22  THR   8          HG22      THR   8  -0.795   5.252  -1.418
   62   HG23  THR   8          HG23      THR   8  -0.043   4.591   0.036
   63    H    ILE   9           HN       ILE   9  -0.484   1.819  -1.385
   64    HA   ILE   9           HA       ILE   9   1.143   0.351   0.532
   65    HB   ILE   9           HB       ILE   9  -1.796   0.927   0.768
   66   HG12  ILE   9          HG11      ILE   9  -0.450   2.950   1.098
   67   HG13  ILE   9          HG12      ILE   9  -1.162   2.421   2.619
   68   HG21  ILE   9          HG21      ILE   9   0.110  -0.401   2.688
   69   HG22  ILE   9          HG22      ILE   9  -1.200  -1.180   1.801
   70   HG23  ILE   9          HG23      ILE   9  -1.566   0.020   3.040
   71   HD11  ILE   9          HD11      ILE   9   0.970   1.438   3.277
   72   HD12  ILE   9          HD12      ILE   9   1.126   3.159   2.926
   73   HD13  ILE   9          HD13      ILE   9   1.683   1.966   1.752
   74    H    LEU  10           HN       LEU  10  -1.484   0.214  -1.650
   75    HA   LEU  10           HA       LEU  10  -2.606  -1.395  -2.755
   76    HB2  LEU  10           HB2      LEU  10  -0.397  -1.295  -3.834
   77    HB3  LEU  10           HB1      LEU  10   0.093  -2.684  -2.884
   78    HG   LEU  10           HG       LEU  10  -1.469  -4.102  -4.028
   79   HD11  LEU  10          HD11      LEU  10  -3.210  -2.179  -4.174
   80   HD12  LEU  10          HD12      LEU  10  -3.172  -3.400  -5.444
   81   HD13  LEU  10          HD13      LEU  10  -2.432  -1.822  -5.715
   82   HD21  LEU  10          HD21      LEU  10  -0.036  -2.234  -5.883
   83   HD22  LEU  10          HD22      LEU  10  -0.736  -3.773  -6.387
   84   HD23  LEU  10          HD23      LEU  10   0.583  -3.743  -5.212
   85    H    GLY  11           HN       GLY  11  -3.057  -3.720  -3.045
   86    HA2  GLY  11           HA1      GLY  11  -4.076  -4.847  -0.761
   87    HA3  GLY  11           HA2      GLY  11  -3.737  -5.708  -2.253
   88    H    GLY  12           HN       GLY  12  -0.823  -4.975  -1.945
   89    HA2  GLY  12           HA2      GLY  12   0.260  -5.984   0.409
   90    HA3  GLY  12           HA1      GLY  12  -0.005  -7.361  -0.650
   91    H    VAL  13           HN       VAL  13   0.826  -4.180  -1.875
   92    HA   VAL  13           HA       VAL  13   2.984  -5.147  -3.384
   93    HB   VAL  13           HB       VAL  13   1.714  -3.062  -3.894
   94   HG11  VAL  13          HG11      VAL  13   2.267  -2.416  -1.338
   95   HG12  VAL  13          HG12      VAL  13   1.749  -1.259  -2.565
   96   HG13  VAL  13          HG13      VAL  13   3.465  -1.445  -2.189
   97   HG21  VAL  13          HG21      VAL  13   4.716  -2.809  -3.731
   98   HG22  VAL  13          HG22      VAL  13   3.661  -1.805  -4.726
   99   HG23  VAL  13          HG23      VAL  13   3.795  -3.535  -5.049
  100    H    ASN  14           HN       ASN  14   5.237  -4.809  -3.179
  101    HA   ASN  14           HA       ASN  14   6.118  -4.662  -0.386
  102    HB2  ASN  14           HB2      ASN  14   7.552  -5.714  -2.832
  103    HB3  ASN  14           HB1      ASN  14   8.190  -5.738  -1.191
  104   HD21  ASN  14          HD21      ASN  14   5.590  -6.340  -0.016
  105   HD22  ASN  14          HD22      ASN  14   5.287  -8.007  -0.358
  106    H    LYS  15           HN       LYS  15   5.555  -2.430  -2.453
  107    HA   LYS  15           HA       LYS  15   8.179  -1.124  -2.427
  108    HB2  LYS  15           HB1      LYS  15   5.633  -0.368  -3.872
  109    HB3  LYS  15           HB2      LYS  15   7.162   0.493  -3.993
  110    HG2  LYS  15           HG2      LYS  15   8.209  -1.484  -4.967
  111    HG3  LYS  15           HG1      LYS  15   6.684  -2.361  -4.829
  112    HD2  LYS  15           HD1      LYS  15   6.924  -1.576  -7.089
  113    HD3  LYS  15           HD2      LYS  15   5.633  -0.664  -6.305
  114    HE2  LYS  15           HE1      LYS  15   7.179   1.186  -5.903
  115    HE3  LYS  15           HE2      LYS  15   8.475   0.276  -6.678
  116    HZ1  LYS  15           HZ1      LYS  15   5.969   1.176  -7.994
  117    HZ2  LYS  15           HZ2      LYS  15   7.213   0.304  -8.738
  118    HZ3  LYS  15           HZ3      LYS  15   7.495   1.880  -8.191
  119    H    HIS  16           HN       HIS  16   8.505  -0.146  -0.519
  120    HA   HIS  16           HA       HIS  16   6.615   1.935   0.272
  121    HB2  HIS  16           HB1      HIS  16   7.592  -0.256   2.109
  122    HB3  HIS  16           HB2      HIS  16   6.841   1.231   2.677
  123    HD1  HIS  16           HD1      HIS  16   6.053  -2.137   1.579
  124    HD2  HIS  16           HD2      HIS  16   4.077   1.516   1.723
  125    HE1  HIS  16           HE1      HIS  16   3.608  -2.684   1.354
  126    HE2  HIS  16           HE2      HIS  16   2.432  -0.459   1.443
  127    H    SER  17           HN       SER  17   7.619   3.191   2.216
  128    HA   SER  17           HA       SER  17  10.520   3.456   1.781
  129    HB2  SER  17           HB1      SER  17   8.521   5.705   2.120
  130    HB3  SER  17           HB2      SER  17  10.270   5.904   2.016
  131    HG   SER  17           HG       SER  17   8.802   6.069   0.021
  132    H    THR  18           HN       THR  18   8.106   2.801   3.938
  133    HA   THR  18           HA       THR  18   9.841   3.476   6.213
  134    HB   THR  18           HB       THR  18   7.840   3.978   7.580
  135    HG1  THR  18           HG1      THR  18   5.949   3.530   6.764
  136   HG21  THR  18          HG21      THR  18   8.195   5.682   5.115
  137   HG22  THR  18          HG22      THR  18   9.080   5.828   6.633
  138   HG23  THR  18          HG23      THR  18   7.354   6.193   6.579
  139    H    SER  19           HN       SER  19  10.337   1.744   7.370
  140    HA   SER  19           HA       SER  19   9.380  -0.818   6.840
  141    HB2  SER  19           HB1      SER  19  10.694   0.236   9.353
  142    HB3  SER  19           HB2      SER  19  10.455  -1.471   8.979
  143    HG   SER  19           HG       SER  19  12.174  -1.384   7.792
  144    H    ILE  20           HN       ILE  20   7.895  -2.150   7.824
  145    HA   ILE  20           HA       ILE  20   6.203  -1.038   9.927
  146    HB   ILE  20           HB       ILE  20   4.168  -1.700   8.686
  147   HG12  ILE  20          HG12      ILE  20   6.109  -2.057   6.392
  148   HG13  ILE  20          HG11      ILE  20   5.189  -3.336   7.177
  149   HG21  ILE  20          HG21      ILE  20   5.974   0.375   7.459
  150   HG22  ILE  20          HG22      ILE  20   4.728   0.610   8.688
  151   HG23  ILE  20          HG23      ILE  20   4.268   0.202   7.035
  152   HD11  ILE  20          HD11      ILE  20   4.040  -1.063   5.580
  153   HD12  ILE  20          HD12      ILE  20   3.111  -2.324   6.387
  154   HD13  ILE  20          HD13      ILE  20   4.193  -2.740   5.058
  155    H    GLY  21           HN       GLY  21   4.283  -2.917  10.108
  156    HA2  GLY  21           HA1      GLY  21   3.813  -5.076  10.754
  157    HA3  GLY  21           HA2      GLY  21   5.215  -5.592   9.829
  158    H    LYS  22           HN       LYS  22   7.060  -6.118  10.877
  159    HA   LYS  22           HA       LYS  22   6.930  -6.236  13.773
  160    HB2  LYS  22           HB1      LYS  22   8.878  -7.355  11.759
  161    HB3  LYS  22           HB2      LYS  22   9.117  -7.496  13.494
  162    HG2  LYS  22           HG1      LYS  22   8.158  -9.526  12.802
  163    HG3  LYS  22           HG2      LYS  22   6.860  -8.624  13.587
  164    HD2  LYS  22           HD2      LYS  22   6.007  -7.933  11.410
  165    HD3  LYS  22           HD1      LYS  22   7.322  -8.797  10.610
  166    HE2  LYS  22           HE1      LYS  22   6.501 -10.904  11.561
  167    HE3  LYS  22           HE2      LYS  22   5.178 -10.033  12.334
  168    HZ1  LYS  22           HZ1      LYS  22   5.643 -10.227   9.407
  169    HZ2  LYS  22           HZ2      LYS  22   4.374  -9.389  10.147
  170    HZ3  LYS  22           HZ3      LYS  22   4.464 -11.073  10.279
  Start of MODEL    5
    1    H1   ACE   0           HA1      ACE   0 -15.231   0.178  -2.733
    2    H2   ACE   0           HA2      ACE   0 -14.038  -0.735  -3.653
    3    H3   ACE   0           HA3      ACE   0 -14.125   1.012  -3.865
    4    H    MET   1           HN       MET   1 -12.269   1.774  -3.113
    5    HA   MET   1           HA       MET   1 -11.660   1.350  -0.302
    6    HB2  MET   1           HB1      MET   1 -10.330  -0.334  -1.515
    7    HB3  MET   1           HB2      MET   1  -9.590   0.964  -2.450
    8    HG2  MET   1           HG1      MET   1  -8.369  -0.046  -0.386
    9    HG3  MET   1           HG2      MET   1  -8.301   1.693  -0.706
   10    HE1  MET   1           HE1      MET   1  -9.813  -1.183   1.493
   11    HE2  MET   1           HE2      MET   1 -11.262  -0.490   0.764
   12    HE3  MET   1           HE3      MET   1 -10.976  -0.313   2.495
   13    H    ASP   2           HN       ASP   2 -12.375   3.494  -2.512
   14    HA   ASP   2           HA       ASP   2 -11.995   5.757  -2.713
   15    HB2  ASP   2           HB2      ASP   2 -11.144   5.050   0.039
   16    HB3  ASP   2           HB1      ASP   2 -10.527   6.554  -0.593
   17    H    TRP   3           HN       TRP   3 -10.166   3.490  -3.280
   18    HA   TRP   3           HA       TRP   3  -7.681   3.556  -3.018
   19    HB2  TRP   3           HB1      TRP   3  -9.299   3.040  -5.335
   20    HB3  TRP   3           HB2      TRP   3  -7.572   3.183  -5.608
   21    HD1  TRP   3           HD1      TRP   3  -9.433   0.588  -5.595
   22    HE1  TRP   3           HE1      TRP   3  -8.626  -1.510  -4.326
   23    HE3  TRP   3           HE3      TRP   3  -6.362   2.885  -2.350
   24    HZ2  TRP   3           HZ2      TRP   3  -6.873  -2.032  -2.153
   25    HZ3  TRP   3           HZ3      TRP   3  -5.173   1.557  -0.683
   26    HH2  TRP   3           HH2      TRP   3  -5.418  -0.847  -0.587
   27    H    GLY   4           HN       GLY   4  -6.072   4.134  -3.666
   28    HA2  GLY   4           HA2      GLY   4  -4.781   5.804  -5.089
   29    HA3  GLY   4           HA1      GLY   4  -5.661   6.987  -4.106
   30    H    THR   5           HN       THR   5  -5.602   4.433  -2.316
   31    HA   THR   5           HA       THR   5  -3.243   5.098  -0.783
   32    HB   THR   5           HB       THR   5  -5.966   4.132  -0.190
   33    HG1  THR   5           HG1      THR   5  -4.920   5.381   1.854
   34   HG21  THR   5          HG21      THR   5  -4.282   2.329   0.565
   35   HG22  THR   5          HG22      THR   5  -5.473   2.907   1.732
   36   HG23  THR   5          HG23      THR   5  -3.810   3.496   1.801
   37    H    LEU   6           HN       LEU   6  -4.214   3.033  -3.085
   38    HA   LEU   6           HA       LEU   6  -3.099   0.603  -2.069
   39    HB2  LEU   6           HB1      LEU   6  -3.541  -0.319  -4.318
   40    HB3  LEU   6           HB2      LEU   6  -4.935   0.340  -3.506
   41    HG   LEU   6           HG       LEU   6  -3.524   1.572  -5.849
   42   HD11  LEU   6          HD11      LEU   6  -6.361   0.696  -5.540
   43   HD12  LEU   6          HD12      LEU   6  -5.102  -0.425  -6.093
   44   HD13  LEU   6          HD13      LEU   6  -5.480   1.019  -7.041
   45   HD21  LEU   6          HD21      LEU   6  -5.904   2.556  -4.326
   46   HD22  LEU   6          HD22      LEU   6  -5.277   3.236  -5.837
   47   HD23  LEU   6          HD23      LEU   6  -4.311   3.332  -4.366
   48    H    GLN   7           HN       GLN   7  -2.291   1.992  -5.141
   49    HA   GLN   7           HA       GLN   7   0.147   1.289  -5.622
   50    HB2  GLN   7           HB1      GLN   7   0.552   4.014  -5.851
   51    HB3  GLN   7           HB2      GLN   7  -0.147   2.972  -7.088
   52    HG2  GLN   7           HG1      GLN   7  -1.598   4.824  -6.791
   53    HG3  GLN   7           HG2      GLN   7  -2.362   3.419  -6.035
   54   HE21  GLN   7          HE21      GLN   7  -2.499   3.290  -3.832
   55   HE22  GLN   7          HE22      GLN   7  -2.241   4.630  -2.792
   56    H    THR   8           HN       THR   8  -0.691   3.244  -2.853
   57    HA   THR   8           HA       THR   8   2.096   3.550  -2.077
   58    HB   THR   8           HB       THR   8   0.676   5.539  -1.877
   59    HG1  THR   8           HG1      THR   8   1.093   5.001   0.795
   60   HG21  THR   8          HG21      THR   8  -1.150   3.673  -0.859
   61   HG22  THR   8          HG22      THR   8  -1.379   5.419  -1.037
   62   HG23  THR   8          HG23      THR   8  -0.762   4.760   0.480
   63    H    ILE   9           HN       ILE   9  -0.838   2.005  -1.072
   64    HA   ILE   9           HA       ILE   9   0.640   0.581   0.993
   65    HB   ILE   9           HB       ILE   9  -2.335   0.978   0.917
   66   HG12  ILE   9          HG11      ILE   9  -1.172   3.074   1.424
   67   HG13  ILE   9          HG12      ILE   9  -1.998   2.464   2.853
   68   HG21  ILE   9          HG21      ILE   9  -1.651  -1.120   1.970
   69   HG22  ILE   9          HG22      ILE   9  -2.333   0.002   3.146
   70   HG23  ILE   9          HG23      ILE   9  -0.587  -0.228   3.055
   71   HD11  ILE   9          HD11      ILE   9   0.945   2.212   2.280
   72   HD12  ILE   9          HD12      ILE   9   0.114   1.609   3.714
   73   HD13  ILE   9          HD13      ILE   9   0.194   3.343   3.406
   74    H    LEU  10           HN       LEU  10  -1.694   0.376  -1.493
   75    HA   LEU  10           HA       LEU  10  -2.594  -1.260  -2.752
   76    HB2  LEU  10           HB2      LEU  10  -0.297  -1.012  -3.575
   77    HB3  LEU  10           HB1      LEU  10   0.176  -2.385  -2.595
   78    HG   LEU  10           HG       LEU  10  -1.166  -3.874  -3.922
   79   HD11  LEU  10          HD11      LEU  10  -2.970  -2.019  -4.261
   80   HD12  LEU  10          HD12      LEU  10  -2.741  -3.250  -5.501
   81   HD13  LEU  10          HD13      LEU  10  -2.044  -1.644  -5.713
   82   HD21  LEU  10          HD21      LEU  10   0.376  -1.901  -5.567
   83   HD22  LEU  10          HD22      LEU  10  -0.179  -3.460  -6.177
   84   HD23  LEU  10          HD23      LEU  10   0.985  -3.392  -4.851
   85    H    GLY  11           HN       GLY  11  -2.912  -3.579  -3.143
   86    HA2  GLY  11           HA1      GLY  11  -4.068  -4.834  -0.981
   87    HA3  GLY  11           HA2      GLY  11  -3.592  -5.614  -2.482
   88    H    GLY  12           HN       GLY  12  -0.752  -4.719  -1.889
   89    HA2  GLY  12           HA2      GLY  12   0.258  -5.765   0.453
   90    HA3  GLY  12           HA1      GLY  12   0.083  -7.140  -0.628
   91    H    VAL  13           HN       VAL  13   0.916  -3.853  -1.613
   92    HA   VAL  13           HA       VAL  13   3.038  -4.632  -3.228
   93    HB   VAL  13           HB       VAL  13   1.973  -2.476  -3.514
   94   HG11  VAL  13          HG11      VAL  13   1.903  -2.259  -0.917
   95   HG12  VAL  13          HG12      VAL  13   1.909  -0.823  -1.941
   96   HG13  VAL  13          HG13      VAL  13   3.399  -1.360  -1.158
   97   HG21  VAL  13          HG21      VAL  13   4.246  -2.737  -4.366
   98   HG22  VAL  13          HG22      VAL  13   4.895  -2.194  -2.819
   99   HG23  VAL  13          HG23      VAL  13   3.961  -1.084  -3.822
  100    H    ASN  14           HN       ASN  14   5.231  -4.773  -2.978
  101    HA   ASN  14           HA       ASN  14   6.295  -4.374  -0.263
  102    HB2  ASN  14           HB2      ASN  14   7.688  -6.402  -0.571
  103    HB3  ASN  14           HB1      ASN  14   5.964  -6.763  -0.571
  104   HD21  ASN  14          HD21      ASN  14   5.862  -7.923  -3.855
  105   HD22  ASN  14          HD22      ASN  14   4.963  -7.386  -2.481
  106    H    LYS  15           HN       LYS  15   6.370  -3.019  -3.058
  107    HA   LYS  15           HA       LYS  15   9.109  -3.112  -3.854
  108    HB2  LYS  15           HB1      LYS  15   6.966  -1.071  -4.476
  109    HB3  LYS  15           HB2      LYS  15   8.527  -1.181  -5.279
  110    HG2  LYS  15           HG1      LYS  15   7.941  -3.412  -6.101
  111    HG3  LYS  15           HG2      LYS  15   6.368  -3.281  -5.313
  112    HD2  LYS  15           HD1      LYS  15   6.107  -2.741  -7.639
  113    HD3  LYS  15           HD2      LYS  15   5.906  -1.266  -6.692
  114    HE2  LYS  15           HE2      LYS  15   7.271  -0.880  -8.688
  115    HE3  LYS  15           HE1      LYS  15   8.185  -0.598  -7.207
  116    HZ1  LYS  15           HZ1      LYS  15   8.303  -3.064  -8.858
  117    HZ2  LYS  15           HZ2      LYS  15   9.193  -2.775  -7.449
  118    HZ3  LYS  15           HZ3      LYS  15   9.473  -1.842  -8.831
  119    H    HIS  16           HN       HIS  16   7.552  -1.675  -1.254
  120    HA   HIS  16           HA       HIS  16   9.459   0.532  -1.045
  121    HB2  HIS  16           HB2      HIS  16   7.098  -0.159   0.714
  122    HB3  HIS  16           HB1      HIS  16   8.080   1.297   0.831
  123    HD1  HIS  16           HD1      HIS  16   5.224  -0.172  -0.978
  124    HD2  HIS  16           HD2      HIS  16   7.709   3.140  -1.335
  125    HE1  HIS  16           HE1      HIS  16   4.067   1.365  -2.597
  126    HE2  HIS  16           HE2      HIS  16   5.589   3.364  -2.799
  127    H    SER  17           HN       SER  17   8.094  -1.681   1.382
  128    HA   SER  17           HA       SER  17   9.024  -2.728   3.173
  129    HB2  SER  17           HB2      SER  17   9.991  -4.135   1.421
  130    HB3  SER  17           HB1      SER  17  11.350  -3.022   1.257
  131    HG   SER  17           HG       SER  17  12.255  -3.942   2.906
  132    H    THR  18           HN       THR  18   9.037  -0.675   4.312
  133    HA   THR  18           HA       THR  18  11.655  -0.080   5.346
  134    HB   THR  18           HB       THR  18  10.092   2.140   4.017
  135    HG1  THR  18           HG1      THR  18  11.890   2.183   2.587
  136   HG21  THR  18          HG21      THR  18  12.752   2.169   5.447
  137   HG22  THR  18          HG22      THR  18  11.252   2.888   6.030
  138   HG23  THR  18          HG23      THR  18  12.035   3.533   4.588
  139    H    SER  19           HN       SER  19  10.839  -0.755   7.318
  140    HA   SER  19           HA       SER  19   9.839  -0.556   9.351
  141    HB2  SER  19           HB1      SER  19  10.863   1.686   9.292
  142    HB3  SER  19           HB2      SER  19   9.424   2.309   8.484
  143    HG   SER  19           HG       SER  19   8.493   2.455  10.353
  144    H    ILE  20           HN       ILE  20   8.240  -0.819   6.702
  145    HA   ILE  20           HA       ILE  20   5.585  -0.232   7.823
  146    HB   ILE  20           HB       ILE  20   4.754  -0.451   5.485
  147   HG12  ILE  20          HG11      ILE  20   6.725  -0.078   3.772
  148   HG13  ILE  20          HG12      ILE  20   7.671  -0.914   4.999
  149   HG21  ILE  20          HG21      ILE  20   6.909   1.614   5.903
  150   HG22  ILE  20          HG22      ILE  20   5.244   1.728   6.476
  151   HG23  ILE  20          HG23      ILE  20   5.583   1.720   4.745
  152   HD11  ILE  20          HD11      ILE  20   6.815  -2.390   3.214
  153   HD12  ILE  20          HD12      ILE  20   5.174  -2.018   3.742
  154   HD13  ILE  20          HD13      ILE  20   6.282  -2.855   4.829
  155    H    GLY  21           HN       GLY  21   3.875  -1.818   6.767
  156    HA2  GLY  21           HA1      GLY  21   3.232  -4.028   6.290
  157    HA3  GLY  21           HA2      GLY  21   4.869  -4.559   6.646
  158    H    LYS  22           HN       LYS  22   5.191  -5.581   8.506
  159    HA   LYS  22           HA       LYS  22   4.813  -6.502  10.548
  160    HB2  LYS  22           HB1      LYS  22   3.451  -3.856  11.085
  161    HB3  LYS  22           HB2      LYS  22   3.958  -5.011  12.309
  162    HG2  LYS  22           HG1      LYS  22   5.805  -3.591  10.400
  163    HG3  LYS  22           HG2      LYS  22   5.511  -3.124  12.077
  164    HD2  LYS  22           HD1      LYS  22   6.373  -5.284  12.833
  165    HD3  LYS  22           HD2      LYS  22   6.661  -5.759  11.157
  166    HE2  LYS  22           HE2      LYS  22   8.239  -3.905  10.906
  167    HE3  LYS  22           HE1      LYS  22   7.951  -3.433  12.580
  168    HZ1  LYS  22           HZ1      LYS  22   8.835  -5.562  13.298
  169    HZ2  LYS  22           HZ2      LYS  22   9.973  -4.732  12.363
  170    HZ3  LYS  22           HZ3      LYS  22   9.108  -6.020  11.691
  Start of MODEL    6
    1    H1   ACE   0           HA1      ACE   0 -14.524   1.036  -1.882
    2    H2   ACE   0           HA2      ACE   0 -14.495   2.713  -2.423
    3    H3   ACE   0           HA3      ACE   0 -15.541   2.270  -1.077
    4    H    MET   1           HN       MET   1 -12.115   2.013  -2.017
    5    HA   MET   1           HA       MET   1 -11.366   2.402   0.778
    6    HB2  MET   1           HB1      MET   1 -10.371   0.502  -0.437
    7    HB3  MET   1           HB2      MET   1  -9.640   1.642  -1.566
    8    HG2  MET   1           HG1      MET   1  -8.260   0.667   0.411
    9    HG3  MET   1           HG2      MET   1  -8.072   2.361  -0.061
   10    HE1  MET   1           HE1      MET   1 -11.008   0.608   1.937
   11    HE2  MET   1           HE2      MET   1 -10.486   0.878   3.600
   12    HE3  MET   1           HE3      MET   1  -9.549  -0.177   2.543
   13    H    ASP   2           HN       ASP   2 -12.156   4.438  -1.509
   14    HA   ASP   2           HA       ASP   2 -11.594   6.628  -1.953
   15    HB2  ASP   2           HB2      ASP   2 -10.469   6.044   0.728
   16    HB3  ASP   2           HB1      ASP   2  -9.791   7.420  -0.103
   17    H    TRP   3           HN       TRP   3 -10.074   4.144  -2.534
   18    HA   TRP   3           HA       TRP   3  -7.582   3.966  -2.582
   19    HB2  TRP   3           HB1      TRP   3  -9.527   3.455  -4.634
   20    HB3  TRP   3           HB2      TRP   3  -7.844   3.395  -5.125
   21    HD1  TRP   3           HD1      TRP   3  -9.928   1.019  -4.662
   22    HE1  TRP   3           HE1      TRP   3  -9.166  -1.053  -3.324
   23    HE3  TRP   3           HE3      TRP   3  -6.257   3.213  -2.027
   24    HZ2  TRP   3           HZ2      TRP   3  -7.204  -1.594  -1.342
   25    HZ3  TRP   3           HZ3      TRP   3  -4.994   1.895  -0.410
   26    HH2  TRP   3           HH2      TRP   3  -5.450  -0.455  -0.075
   27    H    GLY   4           HN       GLY   4  -6.022   4.319  -3.464
   28    HA2  GLY   4           HA2      GLY   4  -4.769   5.732  -5.172
   29    HA3  GLY   4           HA1      GLY   4  -5.396   7.072  -4.197
   30    H    THR   5           HN       THR   5  -5.354   4.665  -2.211
   31    HA   THR   5           HA       THR   5  -2.764   5.187  -1.038
   32    HB   THR   5           HB       THR   5  -5.467   4.573  -0.035
   33    HG1  THR   5           HG1      THR   5  -3.877   5.820   1.715
   34   HG21  THR   5          HG21      THR   5  -3.881   2.648   0.649
   35   HG22  THR   5          HG22      THR   5  -4.864   3.421   1.894
   36   HG23  THR   5          HG23      THR   5  -3.156   3.837   1.731
   37    H    LEU   6           HN       LEU   6  -4.224   3.066  -3.015
   38    HA   LEU   6           HA       LEU   6  -3.220   0.611  -1.941
   39    HB2  LEU   6           HB1      LEU   6  -4.034  -0.412  -4.035
   40    HB3  LEU   6           HB2      LEU   6  -5.241   0.448  -3.122
   41    HG   LEU   6           HG       LEU   6  -4.033   1.350  -5.713
   42   HD11  LEU   6          HD11      LEU   6  -6.877   0.809  -4.990
   43   HD12  LEU   6          HD12      LEU   6  -5.814  -0.479  -5.591
   44   HD13  LEU   6          HD13      LEU   6  -6.168   0.922  -6.609
   45   HD21  LEU   6          HD21      LEU   6  -6.092   2.691  -4.007
   46   HD22  LEU   6          HD22      LEU   6  -5.594   3.190  -5.632
   47   HD23  LEU   6          HD23      LEU   6  -4.448   3.287  -4.297
   48    H    GLN   7           HN       GLN   7  -2.685   1.571  -5.232
   49    HA   GLN   7           HA       GLN   7  -0.407   0.656  -5.987
   50    HB2  GLN   7           HB1      GLN   7   0.227   3.340  -6.334
   51    HB3  GLN   7           HB2      GLN   7  -0.677   2.326  -7.456
   52    HG2  GLN   7           HG1      GLN   7  -2.005   4.221  -7.116
   53    HG3  GLN   7           HG2      GLN   7  -2.708   2.958  -6.098
   54   HE21  GLN   7          HE21      GLN   7  -2.549   3.073  -3.923
   55   HE22  GLN   7          HE22      GLN   7  -2.057   4.481  -3.076
   56    H    THR   8           HN       THR   8  -0.625   2.884  -3.279
   57    HA   THR   8           HA       THR   8   2.256   2.849  -2.848
   58    HB   THR   8           HB       THR   8   1.266   5.032  -2.693
   59    HG1  THR   8           HG1      THR   8   1.777   4.126  -0.039
   60   HG21  THR   8          HG21      THR   8  -0.813   3.534  -1.390
   61   HG22  THR   8          HG22      THR   8  -0.853   5.187  -2.030
   62   HG23  THR   8          HG23      THR   8  -0.308   4.896  -0.376
   63    H    ILE   9           HN       ILE   9  -0.717   1.960  -1.299
   64    HA   ILE   9           HA       ILE   9   0.758   0.335   0.623
   65    HB   ILE   9           HB       ILE   9  -1.898   1.559   1.250
   66   HG12  ILE   9          HG11      ILE   9  -0.297   3.384   0.847
   67   HG13  ILE   9          HG12      ILE   9  -0.742   3.289   2.546
   68   HG21  ILE   9          HG21      ILE   9  -1.335  -0.350   2.604
   69   HG22  ILE   9          HG22      ILE   9  -1.205   1.108   3.588
   70   HG23  ILE   9          HG23      ILE   9   0.251   0.330   2.968
   71   HD11  ILE   9          HD11      ILE   9   1.356   2.169   3.046
   72   HD12  ILE   9          HD12      ILE   9   1.632   3.723   2.260
   73   HD13  ILE   9          HD13      ILE   9   1.800   2.229   1.340
   74    H    LEU  10           HN       LEU  10  -0.285  -0.241  -1.942
   75    HA   LEU  10           HA       LEU  10  -2.629  -1.404  -2.374
   76    HB2  LEU  10           HB2      LEU  10  -0.715  -1.332  -3.914
   77    HB3  LEU  10           HB1      LEU  10  -0.035  -2.715  -3.090
   78    HG   LEU  10           HG       LEU  10  -1.790  -4.144  -3.863
   79   HD11  LEU  10          HD11      LEU  10  -3.498  -2.148  -3.670
   80   HD12  LEU  10          HD12      LEU  10  -3.785  -3.483  -4.783
   81   HD13  LEU  10          HD13      LEU  10  -3.128  -1.959  -5.383
   82   HD21  LEU  10          HD21      LEU  10  -0.800  -2.277  -5.986
   83   HD22  LEU  10          HD22      LEU  10  -1.585  -3.820  -6.327
   84   HD23  LEU  10          HD23      LEU  10  -0.046  -3.781  -5.461
   85    H    GLY  11           HN       GLY  11  -3.361  -3.581  -2.474
   86    HA2  GLY  11           HA1      GLY  11  -3.777  -4.805  -0.089
   87    HA3  GLY  11           HA2      GLY  11  -3.848  -5.618  -1.644
   88    H    GLY  12           HN       GLY  12  -0.922  -5.049  -2.063
   89    HA2  GLY  12           HA2      GLY  12   0.486  -6.412   0.018
   90    HA3  GLY  12           HA1      GLY  12   0.140  -7.481  -1.331
   91    H    VAL  13           HN       VAL  13   0.777  -4.054  -1.766
   92    HA   VAL  13           HA       VAL  13   2.775  -4.499  -3.676
   93    HB   VAL  13           HB       VAL  13   1.566  -2.417  -3.676
   94   HG11  VAL  13          HG11      VAL  13   1.658  -2.504  -1.046
   95   HG12  VAL  13          HG12      VAL  13   1.397  -0.993  -1.916
   96   HG13  VAL  13          HG13      VAL  13   3.001  -1.392  -1.296
   97   HG21  VAL  13          HG21      VAL  13   4.485  -1.960  -3.064
   98   HG22  VAL  13          HG22      VAL  13   3.417  -0.835  -3.904
   99   HG23  VAL  13          HG23      VAL  13   3.812  -2.391  -4.636
  100    H    ASN  14           HN       ASN  14   4.962  -4.625  -3.597
  101    HA   ASN  14           HA       ASN  14   6.181  -4.579  -0.916
  102    HB2  ASN  14           HB1      ASN  14   6.191  -6.808  -1.940
  103    HB3  ASN  14           HB2      ASN  14   7.019  -6.164  -3.353
  104   HD21  ASN  14          HD21      ASN  14   9.281  -5.860   0.011
  105   HD22  ASN  14          HD22      ASN  14   7.706  -5.157  -0.081
  106    H    LYS  15           HN       LYS  15   6.686  -2.372  -0.985
  107    HA   LYS  15           HA       LYS  15   9.006  -1.755  -2.670
  108    HB2  LYS  15           HB1      LYS  15   6.618   0.056  -2.270
  109    HB3  LYS  15           HB2      LYS  15   8.126   0.542  -3.031
  110    HG2  LYS  15           HG2      LYS  15   6.322  -1.644  -4.044
  111    HG3  LYS  15           HG1      LYS  15   6.342   0.013  -4.646
  112    HD2  LYS  15           HD2      LYS  15   8.691  -0.257  -5.295
  113    HD3  LYS  15           HD1      LYS  15   8.659  -1.920  -4.705
  114    HE2  LYS  15           HE2      LYS  15   6.928  -2.469  -6.342
  115    HE3  LYS  15           HE1      LYS  15   6.953  -0.806  -6.929
  116    HZ1  LYS  15           HZ1      LYS  15   9.258  -1.114  -7.590
  117    HZ2  LYS  15           HZ2      LYS  15   8.262  -2.255  -8.343
  118    HZ3  LYS  15           HZ3      LYS  15   9.230  -2.711  -7.032
  119    H    HIS  16           HN       HIS  16   7.410  -1.651   0.325
  120    HA   HIS  16           HA       HIS  16   9.249   0.339   1.431
  121    HB2  HIS  16           HB1      HIS  16   7.839   0.159   3.473
  122    HB3  HIS  16           HB2      HIS  16   6.928   0.640   2.045
  123    HD1  HIS  16           HD1      HIS  16   5.065  -0.897   1.266
  124    HD2  HIS  16           HD2      HIS  16   7.298  -2.484   4.390
  125    HE1  HIS  16           HE1      HIS  16   3.794  -2.925   2.039
  126    HE2  HIS  16           HE2      HIS  16   5.163  -3.870   3.931
  127    H    SER  17           HN       SER  17  10.575  -0.109   3.226
  128    HA   SER  17           HA       SER  17  11.641  -2.786   3.238
  129    HB2  SER  17           HB2      SER  17  13.160  -0.869   3.343
  130    HB3  SER  17           HB1      SER  17  12.416  -0.344   4.854
  131    HG   SER  17           HG       SER  17  13.717  -1.649   5.837
  132    H    THR  18           HN       THR  18  10.378  -0.622   5.778
  133    HA   THR  18           HA       THR  18  10.202  -2.696   7.721
  134    HB   THR  18           HB       THR  18   8.926  -1.061   9.066
  135    HG1  THR  18           HG1      THR  18   8.737   1.091   8.094
  136   HG21  THR  18          HG21      THR  18  11.364  -1.002   9.119
  137   HG22  THR  18          HG22      THR  18  10.703   0.627   9.255
  138   HG23  THR  18          HG23      THR  18  11.382   0.075   7.723
  139    H    SER  19           HN       SER  19   8.917  -4.387   7.221
  140    HA   SER  19           HA       SER  19   6.503  -4.252   5.799
  141    HB2  SER  19           HB2      SER  19   6.073  -6.524   6.709
  142    HB3  SER  19           HB1      SER  19   7.688  -6.356   6.021
  143    HG   SER  19           HG       SER  19   7.294  -7.344   8.271
  144    H    ILE  20           HN       ILE  20   4.351  -4.321   6.467
  145    HA   ILE  20           HA       ILE  20   3.787  -3.847   9.291
  146    HB   ILE  20           HB       ILE  20   2.295  -1.956   8.704
  147   HG12  ILE  20          HG12      ILE  20   3.689  -2.119   6.022
  148   HG13  ILE  20          HG11      ILE  20   2.000  -2.523   6.317
  149   HG21  ILE  20          HG21      ILE  20   5.237  -1.718   8.125
  150   HG22  ILE  20          HG22      ILE  20   4.398  -1.407   9.646
  151   HG23  ILE  20          HG23      ILE  20   4.172  -0.320   8.277
  152   HD11  ILE  20          HD11      ILE  20   2.208  -0.328   5.319
  153   HD12  ILE  20          HD12      ILE  20   3.246   0.195   6.645
  154   HD13  ILE  20          HD13      ILE  20   1.558  -0.209   6.954
  155    H    GLY  21           HN       GLY  21   3.301  -5.927   7.114
  156    HA2  GLY  21           HA2      GLY  21   0.518  -5.945   6.547
  157    HA3  GLY  21           HA1      GLY  21   1.607  -7.317   6.416
  158    H    LYS  22           HN       LYS  22  -0.920  -5.902   8.166
  159    HA   LYS  22           HA       LYS  22  -2.107  -6.516  10.003
  160    HB2  LYS  22           HB1      LYS  22  -0.800  -9.150   9.325
  161    HB3  LYS  22           HB2      LYS  22  -1.984  -8.980  10.614
  162    HG2  LYS  22           HG1      LYS  22  -3.148  -9.774   8.721
  163    HG3  LYS  22           HG2      LYS  22  -3.573  -8.070   8.894
  164    HD2  LYS  22           HD1      LYS  22  -1.969  -7.477   7.159
  165    HD3  LYS  22           HD2      LYS  22  -1.493  -9.170   7.005
  166    HE2  LYS  22           HE2      LYS  22  -3.763  -9.746   6.303
  167    HE3  LYS  22           HE1      LYS  22  -4.243  -8.056   6.464
  168    HZ1  LYS  22           HZ1      LYS  22  -3.762  -8.625   4.169
  169    HZ2  LYS  22           HZ2      LYS  22  -2.191  -9.094   4.585
  170    HZ3  LYS  22           HZ3      LYS  22  -2.658  -7.475   4.738
  Start of MODEL    7
    1    H1   ACE   0           HA1      ACE   0 -14.943   2.726   0.408
    2    H2   ACE   0           HA2      ACE   0 -14.275   1.214  -0.200
    3    H3   ACE   0           HA3      ACE   0 -13.957   2.703  -1.085
    4    H    MET   1           HN       MET   1 -11.740   2.520  -0.940
    5    HA   MET   1           HA       MET   1 -10.607   2.758   1.758
    6    HB2  MET   1           HB1      MET   1  -9.850   0.784   0.484
    7    HB3  MET   1           HB2      MET   1  -9.224   1.865  -0.760
    8    HG2  MET   1           HG1      MET   1  -7.649   0.881   1.068
    9    HG3  MET   1           HG2      MET   1  -7.450   2.549   0.511
   10    HE1  MET   1           HE1      MET   1  -6.537   2.753   4.327
   11    HE2  MET   1           HE2      MET   1  -6.000   3.070   2.678
   12    HE3  MET   1           HE3      MET   1  -6.197   1.409   3.236
   13    H    ASP   2           HN       ASP   2 -11.608   4.759  -0.477
   14    HA   ASP   2           HA       ASP   2 -11.025   6.910  -1.061
   15    HB2  ASP   2           HB2      ASP   2  -9.591   6.356   1.474
   16    HB3  ASP   2           HB1      ASP   2  -8.974   7.678   0.519
   17    H    TRP   3           HN       TRP   3  -9.688   4.350  -1.748
   18    HA   TRP   3           HA       TRP   3  -7.229   4.067  -2.103
   19    HB2  TRP   3           HB1      TRP   3  -9.437   3.581  -3.875
   20    HB3  TRP   3           HB2      TRP   3  -7.833   3.437  -4.573
   21    HD1  TRP   3           HD1      TRP   3  -9.930   1.163  -3.771
   22    HE1  TRP   3           HE1      TRP   3  -9.082  -0.900  -2.472
   23    HE3  TRP   3           HE3      TRP   3  -5.873   3.277  -1.696
   24    HZ2  TRP   3           HZ2      TRP   3  -6.905  -1.467  -0.737
   25    HZ3  TRP   3           HZ3      TRP   3  -4.464   1.953  -0.208
   26    HH2  TRP   3           HH2      TRP   3  -4.962  -0.366   0.260
   27    H    GLY   4           HN       GLY   4  -5.781   4.333  -3.184
   28    HA2  GLY   4           HA2      GLY   4  -4.702   5.646  -5.081
   29    HA3  GLY   4           HA1      GLY   4  -5.152   7.035  -4.078
   30    H    THR   5           HN       THR   5  -4.948   4.684  -2.036
   31    HA   THR   5           HA       THR   5  -2.211   5.132  -1.215
   32    HB   THR   5           HB       THR   5  -4.787   4.657   0.138
   33    HG1  THR   5           HG1      THR   5  -3.927   6.663   0.383
   34   HG21  THR   5          HG21      THR   5  -3.198   2.689   0.679
   35   HG22  THR   5          HG22      THR   5  -3.989   3.533   2.013
   36   HG23  THR   5          HG23      THR   5  -2.302   3.877   1.625
   37    H    LEU   6           HN       LEU   6  -3.990   3.020  -2.925
   38    HA   LEU   6           HA       LEU   6  -2.951   0.556  -1.906
   39    HB2  LEU   6           HB1      LEU   6  -4.058  -0.490  -3.849
   40    HB3  LEU   6           HB2      LEU   6  -5.109   0.443  -2.819
   41    HG   LEU   6           HG       LEU   6  -4.207   1.224  -5.569
   42   HD11  LEU   6          HD11      LEU   6  -6.953   0.820  -4.476
   43   HD12  LEU   6          HD12      LEU   6  -6.025  -0.527  -5.165
   44   HD13  LEU   6          HD13      LEU   6  -6.453   0.861  -6.174
   45   HD21  LEU   6          HD21      LEU   6  -5.981   2.694  -3.662
   46   HD22  LEU   6          HD22      LEU   6  -5.674   3.128  -5.352
   47   HD23  LEU   6          HD23      LEU   6  -4.366   3.213  -4.174
   48    H    GLN   7           HN       GLN   7  -2.797   1.402  -5.269
   49    HA   GLN   7           HA       GLN   7  -0.670   0.377  -6.272
   50    HB2  GLN   7           HB1      GLN   7   0.024   3.022  -6.774
   51    HB3  GLN   7           HB2      GLN   7  -1.054   2.021  -7.745
   52    HG2  GLN   7           HG1      GLN   7  -2.252   3.980  -7.299
   53    HG3  GLN   7           HG2      GLN   7  -2.872   2.772  -6.164
   54   HE21  GLN   7          HE21      GLN   7  -2.440   2.935  -4.032
   55   HE22  GLN   7          HE22      GLN   7  -1.790   4.339  -3.293
   56    H    THR   8           HN       THR   8  -0.455   2.683  -3.628
   57    HA   THR   8           HA       THR   8   2.452   2.531  -3.556
   58    HB   THR   8           HB       THR   8   1.581   4.757  -3.334
   59    HG1  THR   8           HG1      THR   8   3.390   4.128  -1.965
   60   HG21  THR   8          HG21      THR   8  -0.381   3.382  -1.749
   61   HG22  THR   8          HG22      THR   8  -0.430   5.021  -2.422
   62   HG23  THR   8          HG23      THR   8   0.301   4.739  -0.840
   63    H    ILE   9           HN       ILE   9  -0.335   1.816  -1.615
   64    HA   ILE   9           HA       ILE   9   1.304   0.171   0.151
   65    HB   ILE   9           HB       ILE   9  -1.230   1.485   1.046
   66   HG12  ILE   9          HG11      ILE   9   0.352   3.260   0.422
   67   HG13  ILE   9          HG12      ILE   9   0.120   3.205   2.165
   68   HG21  ILE   9          HG21      ILE   9  -0.561  -0.410   2.374
   69   HG22  ILE   9          HG22      ILE   9  -0.285   1.065   3.300
   70   HG23  ILE   9          HG23      ILE   9   1.071   0.236   2.537
   71   HD11  ILE   9          HD11      ILE   9   2.468   2.066   0.667
   72   HD12  ILE   9          HD12      ILE   9   2.237   2.027   2.415
   73   HD13  ILE   9          HD13      ILE   9   2.448   3.571   1.587
   74    H    LEU  10           HN       LEU  10  -0.049  -0.419  -2.267
   75    HA   LEU  10           HA       LEU  10  -2.457  -1.519  -2.395
   76    HB2  LEU  10           HB2      LEU  10  -0.726  -1.523  -4.147
   77    HB3  LEU  10           HB1      LEU  10  -0.011  -2.925  -3.391
   78    HG   LEU  10           HG       LEU  10  -1.892  -4.290  -3.943
   79   HD11  LEU  10          HD11      LEU  10  -3.503  -2.261  -3.552
   80   HD12  LEU  10          HD12      LEU  10  -3.954  -3.556  -4.657
   81   HD13  LEU  10          HD13      LEU  10  -3.314  -2.039  -5.289
   82   HD21  LEU  10          HD21      LEU  10  -1.109  -2.469  -6.189
   83   HD22  LEU  10          HD22      LEU  10  -1.966  -3.994  -6.413
   84   HD23  LEU  10          HD23      LEU  10  -0.334  -3.987  -5.740
   85    H    GLY  11           HN       GLY  11  -3.241  -3.682  -2.387
   86    HA2  GLY  11           HA1      GLY  11  -3.413  -4.854   0.058
   87    HA3  GLY  11           HA2      GLY  11  -3.700  -5.682  -1.463
   88    H    GLY  12           HN       GLY  12  -0.823  -5.260  -2.252
   89    HA2  GLY  12           HA2      GLY  12   0.685  -6.742  -0.290
   90    HA3  GLY  12           HA1      GLY  12   0.233  -7.700  -1.689
   91    H    VAL  13           HN       VAL  13   0.908  -4.298  -2.076
   92    HA   VAL  13           HA       VAL  13   2.995  -4.854  -3.927
   93    HB   VAL  13           HB       VAL  13   1.500  -2.857  -4.072
   94   HG11  VAL  13          HG11      VAL  13   2.287  -2.495  -1.476
   95   HG12  VAL  13          HG12      VAL  13   1.407  -1.326  -2.460
   96   HG13  VAL  13          HG13      VAL  13   3.166  -1.233  -2.335
   97   HG21  VAL  13          HG21      VAL  13   3.215  -1.345  -4.898
   98   HG22  VAL  13          HG22      VAL  13   3.581  -3.006  -5.366
   99   HG23  VAL  13          HG23      VAL  13   4.455  -2.252  -4.032
  100    H    ASN  14           HN       ASN  14   5.199  -3.928  -3.779
  101    HA   ASN  14           HA       ASN  14   6.550  -4.880  -1.512
  102    HB2  ASN  14           HB1      ASN  14   7.511  -2.944  -3.627
  103    HB3  ASN  14           HB2      ASN  14   8.545  -3.795  -2.484
  104   HD21  ASN  14          HD21      ASN  14   8.512  -3.867  -5.398
  105   HD22  ASN  14          HD22      ASN  14   8.284  -5.523  -5.832
  106    H    LYS  15           HN       LYS  15   4.720  -2.125  -1.810
  107    HA   LYS  15           HA       LYS  15   4.389  -0.295  -0.510
  108    HB2  LYS  15           HB1      LYS  15   6.219  -1.735   1.419
  109    HB3  LYS  15           HB2      LYS  15   5.208  -0.350   1.812
  110    HG2  LYS  15           HG2      LYS  15   3.210  -1.663   1.313
  111    HG3  LYS  15           HG1      LYS  15   4.223  -3.052   0.916
  112    HD2  LYS  15           HD2      LYS  15   5.097  -3.066   3.204
  113    HD3  LYS  15           HD1      LYS  15   4.077  -1.682   3.601
  114    HE2  LYS  15           HE2      LYS  15   2.083  -3.010   3.108
  115    HE3  LYS  15           HE1      LYS  15   3.102  -4.393   2.712
  116    HZ1  LYS  15           HZ1      LYS  15   3.919  -4.395   4.988
  117    HZ2  LYS  15           HZ2      LYS  15   2.235  -4.556   4.956
  118    HZ3  LYS  15           HZ3      LYS  15   2.935  -3.072   5.367
  119    H    HIS  16           HN       HIS  16   5.262   1.389  -1.556
  120    HA   HIS  16           HA       HIS  16   8.143   1.889  -1.228
  121    HB2  HIS  16           HB2      HIS  16   6.262   2.984  -3.328
  122    HB3  HIS  16           HB1      HIS  16   7.998   3.266  -3.244
  123    HD1  HIS  16           HD1      HIS  16   5.515   0.495  -3.900
  124    HD2  HIS  16           HD2      HIS  16   9.555   1.328  -4.410
  125    HE1  HIS  16           HE1      HIS  16   6.415  -1.379  -5.314
  126    HE2  HIS  16           HE2      HIS  16   8.861  -0.856  -5.612
  127    H    SER  17           HN       SER  17   8.633   4.348  -1.401
  128    HA   SER  17           HA       SER  17   7.285   5.601   0.808
  129    HB2  SER  17           HB1      SER  17   9.716   5.816   0.550
  130    HB3  SER  17           HB2      SER  17   9.488   6.641  -0.992
  131    HG   SER  17           HG       SER  17   8.655   8.378   0.049
  132    H    THR  18           HN       THR  18   6.675   7.971   0.623
  133    HA   THR  18           HA       THR  18   4.898   8.265  -1.682
  134    HB   THR  18           HB       THR  18   3.757   9.993  -0.387
  135    HG1  THR  18           HG1      THR  18   4.954  10.981   1.054
  136   HG21  THR  18          HG21      THR  18   3.237   7.560  -0.046
  137   HG22  THR  18          HG22      THR  18   2.808   8.604   1.310
  138   HG23  THR  18          HG23      THR  18   4.261   7.608   1.389
  139    H    SER  19           HN       SER  19   7.945   9.000  -1.172
  140    HA   SER  19           HA       SER  19   7.917  11.800  -1.927
  141    HB2  SER  19           HB2      SER  19  10.223   9.879  -1.560
  142    HB3  SER  19           HB1      SER  19  10.378  11.615  -1.826
  143    HG   SER  19           HG       SER  19  10.391  11.545   0.308
  144    H    ILE  20           HN       ILE  20   7.113   9.303  -3.601
  145    HA   ILE  20           HA       ILE  20   8.724   9.918  -5.985
  146    HB   ILE  20           HB       ILE  20   7.882   7.784  -6.897
  147   HG12  ILE  20          HG12      ILE  20   6.658   7.456  -4.148
  148   HG13  ILE  20          HG11      ILE  20   5.764   7.696  -5.646
  149   HG21  ILE  20          HG21      ILE  20   9.179   7.518  -4.189
  150   HG22  ILE  20          HG22      ILE  20  10.017   7.886  -5.696
  151   HG23  ILE  20          HG23      ILE  20   9.225   6.325  -5.487
  152   HD11  ILE  20          HD11      ILE  20   5.720   5.373  -4.985
  153   HD12  ILE  20          HD12      ILE  20   7.482   5.321  -4.971
  154   HD13  ILE  20          HD13      ILE  20   6.619   5.566  -6.490
  155    H    GLY  21           HN       GLY  21   7.172   9.144  -8.012
  156    HA2  GLY  21           HA2      GLY  21   4.473   9.777  -8.018
  157    HA3  GLY  21           HA1      GLY  21   5.330  11.289  -8.283
  158    H    LYS  22           HN       LYS  22   3.804   8.868  -9.832
  159    HA   LYS  22           HA       LYS  22   5.596   8.537 -12.068
  160    HB2  LYS  22           HB2      LYS  22   2.749   7.661 -11.577
  161    HB3  LYS  22           HB1      LYS  22   3.599   7.348 -13.083
  162    HG2  LYS  22           HG1      LYS  22   3.775   5.384 -11.798
  163    HG3  LYS  22           HG2      LYS  22   5.353   6.167 -11.716
  164    HD2  LYS  22           HD2      LYS  22   4.814   7.071  -9.523
  165    HD3  LYS  22           HD1      LYS  22   3.205   6.348  -9.605
  166    HE2  LYS  22           HE1      LYS  22   4.717   5.003  -8.237
  167    HE3  LYS  22           HE2      LYS  22   4.193   4.124  -9.674
  168    HZ1  LYS  22           HZ1      LYS  22   6.293   4.647 -10.729
  169    HZ2  LYS  22           HZ2      LYS  22   6.562   3.850  -9.262
  170    HZ3  LYS  22           HZ3      LYS  22   6.796   5.521  -9.371
  Start of MODEL    8
    1    H1   ACE   0           HA1      ACE   0 -14.044   1.479  -4.178
    2    H2   ACE   0           HA2      ACE   0 -15.040   2.818  -3.614
    3    H3   ACE   0           HA3      ACE   0 -15.383   1.192  -3.027
    4    H    MET   1           HN       MET   1 -12.111   2.248  -3.446
    5    HA   MET   1           HA       MET   1 -11.806   2.325  -0.527
    6    HB2  MET   1           HB1      MET   1 -10.628   0.468  -1.645
    7    HB3  MET   1           HB2      MET   1  -9.725   1.649  -2.593
    8    HG2  MET   1           HG1      MET   1  -8.689   0.584  -0.453
    9    HG3  MET   1           HG2      MET   1  -8.417   2.291  -0.831
   10    HE1  MET   1           HE1      MET   1  -8.632   2.249   3.093
   11    HE2  MET   1           HE2      MET   1  -7.673   2.726   1.691
   12    HE3  MET   1           HE3      MET   1  -7.918   1.018   2.051
   13    H    ASP   2           HN       ASP   2 -12.222   4.452  -2.831
   14    HA   ASP   2           HA       ASP   2 -11.596   6.654  -3.095
   15    HB2  ASP   2           HB2      ASP   2 -10.914   5.962  -0.294
   16    HB3  ASP   2           HB1      ASP   2 -10.107   7.361  -0.952
   17    H    TRP   3           HN       TRP   3 -10.003   4.183  -3.521
   18    HA   TRP   3           HA       TRP   3  -7.535   3.991  -3.179
   19    HB2  TRP   3           HB1      TRP   3  -9.128   3.571  -5.532
   20    HB3  TRP   3           HB2      TRP   3  -7.387   3.520  -5.751
   21    HD1  TRP   3           HD1      TRP   3  -9.519   1.140  -5.717
   22    HE1  TRP   3           HE1      TRP   3  -8.980  -0.986  -4.355
   23    HE3  TRP   3           HE3      TRP   3  -6.315   3.211  -2.450
   24    HZ2  TRP   3           HZ2      TRP   3  -7.358  -1.613  -2.108
   25    HZ3  TRP   3           HZ3      TRP   3  -5.325   1.825  -0.702
   26    HH2  TRP   3           HH2      TRP   3  -5.829  -0.533  -0.535
   27    H    GLY   4           HN       GLY   4  -5.855   4.371  -3.781
   28    HA2  GLY   4           HA2      GLY   4  -4.345   5.842  -5.211
   29    HA3  GLY   4           HA1      GLY   4  -5.123   7.146  -4.296
   30    H    THR   5           HN       THR   5  -5.396   4.664  -2.425
   31    HA   THR   5           HA       THR   5  -3.026   5.126  -0.835
   32    HB   THR   5           HB       THR   5  -5.853   4.485  -0.300
   33    HG1  THR   5           HG1      THR   5  -3.819   5.936   1.071
   34   HG21  THR   5          HG21      THR   5  -4.385   2.527   0.548
   35   HG22  THR   5          HG22      THR   5  -5.566   3.245   1.645
   36   HG23  THR   5          HG23      THR   5  -3.858   3.668   1.785
   37    H    LEU   6           HN       LEU   6  -4.157   3.090  -3.101
   38    HA   LEU   6           HA       LEU   6  -3.328   0.592  -1.980
   39    HB2  LEU   6           HB1      LEU   6  -3.796  -0.347  -4.215
   40    HB3  LEU   6           HB2      LEU   6  -5.136   0.484  -3.474
   41    HG   LEU   6           HG       LEU   6  -3.531   1.479  -5.802
   42   HD11  LEU   6          HD11      LEU   6  -6.453   0.925  -5.563
   43   HD12  LEU   6          HD12      LEU   6  -5.307  -0.345  -6.035
   44   HD13  LEU   6          HD13      LEU   6  -5.495   1.096  -7.043
   45   HD21  LEU   6          HD21      LEU   6  -5.836   2.764  -4.395
   46   HD22  LEU   6          HD22      LEU   6  -5.086   3.323  -5.900
   47   HD23  LEU   6          HD23      LEU   6  -4.168   3.361  -4.395
   48    H    GLN   7           HN       GLN   7  -2.279   1.669  -5.106
   49    HA   GLN   7           HA       GLN   7   0.091   0.783  -5.524
   50    HB2  GLN   7           HB1      GLN   7   0.769   3.474  -5.662
   51    HB3  GLN   7           HB2      GLN   7   0.051   2.509  -6.951
   52    HG2  GLN   7           HG1      GLN   7  -1.314   4.398  -6.748
   53    HG3  GLN   7           HG2      GLN   7  -2.167   3.099  -5.903
   54   HE21  GLN   7          HE21      GLN   7  -2.354   3.128  -3.730
   55   HE22  GLN   7          HE22      GLN   7  -2.001   4.497  -2.759
   56    H    THR   8           HN       THR   8  -0.551   2.914  -2.802
   57    HA   THR   8           HA       THR   8   2.225   2.853  -1.927
   58    HB   THR   8           HB       THR   8   1.209   5.027  -1.831
   59    HG1  THR   8           HG1      THR   8   2.458   5.044  -0.093
   60   HG21  THR   8          HG21      THR   8  -1.039   3.476  -0.945
   61   HG22  THR   8          HG22      THR   8  -0.987   5.161  -1.493
   62   HG23  THR   8          HG23      THR   8  -0.706   4.779   0.208
   63    H    ILE   9           HN       ILE   9  -0.946   1.902  -0.895
   64    HA   ILE   9           HA       ILE   9   0.223   0.204   1.169
   65    HB   ILE   9           HB       ILE   9  -2.533   1.348   1.375
   66   HG12  ILE   9          HG11      ILE   9  -0.949   3.225   1.335
   67   HG13  ILE   9          HG12      ILE   9  -1.653   3.032   2.935
   68   HG21  ILE   9          HG21      ILE   9  -2.165  -0.606   2.729
   69   HG22  ILE   9          HG22      ILE   9  -2.237   0.807   3.780
   70   HG23  ILE   9          HG23      ILE   9  -0.680   0.080   3.386
   71   HD11  ILE   9          HD11      ILE   9   1.082   2.106   2.093
   72   HD12  ILE   9          HD12      ILE   9   0.376   1.918   3.698
   73   HD13  ILE   9          HD13      ILE   9   0.716   3.530   3.067
   74    H    LEU  10           HN       LEU  10  -0.363  -0.258  -1.569
   75    HA   LEU  10           HA       LEU  10  -2.578  -1.454  -2.421
   76    HB2  LEU  10           HB2      LEU  10  -0.436  -1.225  -3.629
   77    HB3  LEU  10           HB1      LEU  10   0.135  -2.658  -2.810
   78    HG   LEU  10           HG       LEU  10  -1.440  -4.043  -3.954
   79   HD11  LEU  10          HD11      LEU  10  -3.230  -2.145  -3.867
   80   HD12  LEU  10          HD12      LEU  10  -3.267  -3.328  -5.172
   81   HD13  LEU  10          HD13      LEU  10  -2.585  -1.726  -5.452
   82   HD21  LEU  10          HD21      LEU  10  -0.194  -2.003  -5.761
   83   HD22  LEU  10          HD22      LEU  10  -0.866  -3.535  -6.322
   84   HD23  LEU  10          HD23      LEU  10   0.521  -3.524  -5.231
   85    H    GLY  11           HN       GLY  11  -3.150  -3.672  -2.785
   86    HA2  GLY  11           HA1      GLY  11  -3.890  -5.054  -0.565
   87    HA3  GLY  11           HA2      GLY  11  -3.659  -5.774  -2.150
   88    H    GLY  12           HN       GLY  12  -0.741  -5.028  -2.037
   89    HA2  GLY  12           HA2      GLY  12   0.438  -6.359   0.170
   90    HA3  GLY  12           HA1      GLY  12   0.288  -7.467  -1.184
   91    H    VAL  13           HN       VAL  13   0.877  -4.021  -1.580
   92    HA   VAL  13           HA       VAL  13   3.087  -4.433  -3.255
   93    HB   VAL  13           HB       VAL  13   1.801  -2.385  -3.396
   94   HG11  VAL  13          HG11      VAL  13   1.701  -2.420  -0.763
   95   HG12  VAL  13          HG12      VAL  13   1.464  -0.936  -1.684
   96   HG13  VAL  13          HG13      VAL  13   3.029  -1.277  -0.941
   97   HG21  VAL  13          HG21      VAL  13   4.653  -1.844  -2.571
   98   HG22  VAL  13          HG22      VAL  13   3.629  -0.771  -3.527
   99   HG23  VAL  13          HG23      VAL  13   4.118  -2.336  -4.178
  100    H    ASN  14           HN       ASN  14   5.275  -4.348  -2.948
  101    HA   ASN  14           HA       ASN  14   6.240  -4.030  -0.189
  102    HB2  ASN  14           HB1      ASN  14   6.055  -6.451  -0.792
  103    HB3  ASN  14           HB2      ASN  14   7.196  -6.169  -2.103
  104   HD21  ASN  14          HD21      ASN  14   8.834  -5.393   1.534
  105   HD22  ASN  14          HD22      ASN  14   7.397  -4.593   1.006
  106    H    LYS  15           HN       LYS  15   6.238  -2.573  -2.945
  107    HA   LYS  15           HA       LYS  15   8.823  -1.390  -2.605
  108    HB2  LYS  15           HB2      LYS  15   9.643  -1.871  -4.891
  109    HB3  LYS  15           HB1      LYS  15   9.531  -3.313  -3.891
  110    HG2  LYS  15           HG2      LYS  15   7.407  -3.887  -4.975
  111    HG3  LYS  15           HG1      LYS  15   7.560  -2.459  -6.001
  112    HD2  LYS  15           HD2      LYS  15   9.649  -3.344  -6.922
  113    HD3  LYS  15           HD1      LYS  15   9.492  -4.774  -5.898
  114    HE2  LYS  15           HE2      LYS  15   7.386  -5.336  -7.018
  115    HE3  LYS  15           HE1      LYS  15   7.559  -3.915  -8.048
  116    HZ1  LYS  15           HZ1      LYS  15   9.428  -6.222  -7.956
  117    HZ2  LYS  15           HZ2      LYS  15   9.600  -4.857  -8.940
  118    HZ3  LYS  15           HZ3      LYS  15   8.299  -5.911  -9.178
  119    H    HIS  16           HN       HIS  16   8.826   0.673  -3.302
  120    HA   HIS  16           HA       HIS  16   7.260   1.628  -5.471
  121    HB2  HIS  16           HB2      HIS  16   5.788   3.133  -4.085
  122    HB3  HIS  16           HB1      HIS  16   5.383   1.422  -4.003
  123    HD1  HIS  16           HD1      HIS  16   5.512   0.292  -1.741
  124    HD2  HIS  16           HD2      HIS  16   6.979   4.180  -1.708
  125    HE1  HIS  16           HE1      HIS  16   5.849   0.862   0.684
  126    HE2  HIS  16           HE2      HIS  16   6.738   3.221   0.682
  127    H    SER  17           HN       SER  17   7.810   3.717  -6.061
  128    HA   SER  17           HA       SER  17   9.498   5.288  -4.282
  129    HB2  SER  17           HB1      SER  17  11.259   5.553  -6.000
  130    HB3  SER  17           HB2      SER  17  11.109   3.879  -5.463
  131    HG   SER  17           HG       SER  17  10.348   3.313  -7.373
  132    H    THR  18           HN       THR  18   8.386   7.124  -4.248
  133    HA   THR  18           HA       THR  18   7.216   8.965  -4.898
  134    HB   THR  18           HB       THR  18   8.080  10.200  -6.802
  135    HG1  THR  18           HG1      THR  18   9.922   8.253  -7.522
  136   HG21  THR  18          HG21      THR  18   9.423  10.198  -4.763
  137   HG22  THR  18          HG22      THR  18  10.455  10.283  -6.190
  138   HG23  THR  18          HG23      THR  18  10.281   8.761  -5.318
  139    H    SER  19           HN       SER  19   6.267   9.961  -7.230
  140    HA   SER  19           HA       SER  19   4.514   9.835  -8.667
  141    HB2  SER  19           HB1      SER  19   6.026   8.326  -9.902
  142    HB3  SER  19           HB2      SER  19   5.398   6.960  -8.980
  143    HG   SER  19           HG       SER  19   3.684   6.931 -10.202
  144    H    ILE  20           HN       ILE  20   4.414   8.713  -5.770
  145    HA   ILE  20           HA       ILE  20   1.708   7.577  -6.012
  146    HB   ILE  20           HB       ILE  20   2.156   6.352  -3.895
  147   HG12  ILE  20          HG12      ILE  20   5.015   7.205  -4.406
  148   HG13  ILE  20          HG11      ILE  20   4.000   7.774  -3.086
  149   HG21  ILE  20          HG21      ILE  20   3.999   5.702  -6.190
  150   HG22  ILE  20          HG22      ILE  20   2.307   5.224  -6.046
  151   HG23  ILE  20          HG23      ILE  20   3.504   4.583  -4.921
  152   HD11  ILE  20          HD11      ILE  20   4.919   4.941  -3.501
  153   HD12  ILE  20          HD12      ILE  20   3.902   5.515  -2.180
  154   HD13  ILE  20          HD13      ILE  20   5.563   6.088  -2.326
  155    H    GLY  21           HN       GLY  21   2.894  10.356  -5.516
  156    HA2  GLY  21           HA1      GLY  21   1.111  10.986  -3.274
  157    HA3  GLY  21           HA2      GLY  21   2.782  11.521  -3.181
  158    H    LYS  22           HN       LYS  22   0.797  13.370  -3.028
  159    HA   LYS  22           HA       LYS  22   0.426  14.532  -5.671
  160    HB2  LYS  22           HB1      LYS  22  -0.578  15.314  -2.933
  161    HB3  LYS  22           HB2      LYS  22  -0.859  16.287  -4.371
  162    HG2  LYS  22           HG1      LYS  22  -2.807  15.006  -4.040
  163    HG3  LYS  22           HG2      LYS  22  -1.953  14.261  -5.391
  164    HD2  LYS  22           HD2      LYS  22  -1.069  12.544  -3.917
  165    HD3  LYS  22           HD1      LYS  22  -1.844  13.310  -2.529
  166    HE2  LYS  22           HE2      LYS  22  -3.260  12.141  -4.922
  167    HE3  LYS  22           HE1      LYS  22  -3.125  11.386  -3.334
  168    HZ1  LYS  22           HZ1      LYS  22  -4.358  13.234  -2.387
  169    HZ2  LYS  22           HZ2      LYS  22  -5.255  12.487  -3.611
  170    HZ3  LYS  22           HZ3      LYS  22  -4.484  13.963  -3.909
  Start of MODEL    9
    1    H1   ACE   0           HA1      ACE   0 -13.446  -0.565  -0.625
    2    H2   ACE   0           HA2      ACE   0 -14.385  -0.307   0.844
    3    H3   ACE   0           HA3      ACE   0 -13.728  -1.910   0.521
    4    H    MET   1           HN       MET   1 -11.879   0.929  -0.202
    5    HA   MET   1           HA       MET   1 -10.374   0.746   2.277
    6    HB2  MET   1           HB1      MET   1  -9.311  -0.877   0.755
    7    HB3  MET   1           HB2      MET   1  -9.049   0.426  -0.404
    8    HG2  MET   1           HG1      MET   1  -7.143  -0.330   1.201
    9    HG3  MET   1           HG2      MET   1  -7.368   1.383   0.816
   10    HE1  MET   1           HE1      MET   1  -5.898   2.047   2.938
   11    HE2  MET   1           HE2      MET   1  -5.654   0.337   3.296
   12    HE3  MET   1           HE3      MET   1  -6.193   1.436   4.566
   13    H    ASP   2           HN       ASP   2 -11.980   2.663   0.340
   14    HA   ASP   2           HA       ASP   2 -11.938   4.934  -0.043
   15    HB2  ASP   2           HB2      ASP   2 -10.203   4.493   2.320
   16    HB3  ASP   2           HB1      ASP   2  -9.978   6.003   1.477
   17    H    TRP   3           HN       TRP   3 -10.132   2.821  -1.086
   18    HA   TRP   3           HA       TRP   3  -7.712   3.142  -1.627
   19    HB2  TRP   3           HB1      TRP   3  -9.903   2.325  -3.297
   20    HB3  TRP   3           HB2      TRP   3  -8.373   2.617  -4.106
   21    HD1  TRP   3           HD1      TRP   3  -9.838  -0.140  -3.423
   22    HE1  TRP   3           HE1      TRP   3  -8.448  -2.063  -2.410
   23    HE3  TRP   3           HE3      TRP   3  -6.185   2.647  -1.393
   24    HZ2  TRP   3           HZ2      TRP   3  -6.058  -2.273  -0.887
   25    HZ3  TRP   3           HZ3      TRP   3  -4.395   1.550  -0.148
   26    HH2  TRP   3           HH2      TRP   3  -4.329  -0.854   0.097
   27    H    GLY   4           HN       GLY   4  -6.461   3.828  -2.772
   28    HA2  GLY   4           HA2      GLY   4  -5.871   5.520  -4.578
   29    HA3  GLY   4           HA1      GLY   4  -6.532   6.674  -3.408
   30    H    THR   5           HN       THR   5  -5.630   4.257  -1.650
   31    HA   THR   5           HA       THR   5  -3.004   5.248  -0.959
   32    HB   THR   5           HB       THR   5  -5.280   4.062   0.493
   33    HG1  THR   5           HG1      THR   5  -4.997   6.090   1.101
   34   HG21  THR   5          HG21      THR   5  -3.249   2.483   0.726
   35   HG22  THR   5          HG22      THR   5  -4.084   3.006   2.190
   36   HG23  THR   5          HG23      THR   5  -2.561   3.764   1.725
   37    H    LEU   6           HN       LEU   6  -4.404   2.954  -2.774
   38    HA   LEU   6           HA       LEU   6  -2.754   0.718  -2.092
   39    HB2  LEU   6           HB1      LEU   6  -3.773  -0.392  -4.046
   40    HB3  LEU   6           HB2      LEU   6  -4.909   0.185  -2.857
   41    HG   LEU   6           HG       LEU   6  -4.450   1.384  -5.567
   42   HD11  LEU   6          HD11      LEU   6  -6.932   0.266  -4.347
   43   HD12  LEU   6          HD12      LEU   6  -5.789  -0.769  -5.224
   44   HD13  LEU   6          HD13      LEU   6  -6.599   0.561  -6.060
   45   HD21  LEU   6          HD21      LEU   6  -6.332   2.234  -3.401
   46   HD22  LEU   6          HD22      LEU   6  -6.286   2.869  -5.055
   47   HD23  LEU   6          HD23      LEU   6  -4.928   3.156  -3.969
   48    H    GLN   7           HN       GLN   7  -3.118   1.978  -5.305
   49    HA   GLN   7           HA       GLN   7  -0.893   1.495  -6.517
   50    HB2  GLN   7           HB1      GLN   7  -0.887   4.228  -6.931
   51    HB3  GLN   7           HB2      GLN   7  -1.816   3.052  -7.857
   52    HG2  GLN   7           HG1      GLN   7  -3.302   4.761  -7.162
   53    HG3  GLN   7           HG2      GLN   7  -3.625   3.338  -6.164
   54   HE21  GLN   7          HE21      GLN   7  -3.049   3.334  -4.030
   55   HE22  GLN   7          HE22      GLN   7  -2.630   4.755  -3.164
   56    H    THR   8           HN       THR   8  -1.034   3.536  -3.684
   57    HA   THR   8           HA       THR   8   1.803   4.152  -3.842
   58    HB   THR   8           HB       THR   8   0.309   5.997  -3.235
   59    HG1  THR   8           HG1      THR   8   1.735   6.743  -1.804
   60   HG21  THR   8          HG21      THR   8  -0.891   4.022  -1.656
   61   HG22  THR   8          HG22      THR   8  -1.343   5.730  -1.771
   62   HG23  THR   8          HG23      THR   8  -0.210   5.199  -0.526
   63    H    ILE   9           HN       ILE   9  -0.475   2.399  -1.902
   64    HA   ILE   9           HA       ILE   9   1.724   1.237  -0.389
   65    HB   ILE   9           HB       ILE   9  -1.162   1.306   0.436
   66   HG12  ILE   9          HG11      ILE   9  -0.133   3.529   0.555
   67   HG13  ILE   9          HG12      ILE   9  -0.433   2.894   2.167
   68   HG21  ILE   9          HG21      ILE   9   1.279   0.327   1.906
   69   HG22  ILE   9          HG22      ILE   9  -0.031  -0.667   1.268
   70   HG23  ILE   9          HG23      ILE   9  -0.341   0.460   2.590
   71   HD11  ILE   9          HD11      ILE   9   1.717   4.009   2.041
   72   HD12  ILE   9          HD12      ILE   9   2.221   2.916   0.753
   73   HD13  ILE   9          HD13      ILE   9   1.918   2.288   2.373
   74    H    LEU  10           HN       LEU  10  -1.232   0.637  -2.000
   75    HA   LEU  10           HA       LEU  10  -2.263  -1.146  -2.905
   76    HB2  LEU  10           HB2      LEU  10  -0.368  -0.679  -4.404
   77    HB3  LEU  10           HB1      LEU  10   0.530  -1.958  -3.612
   78    HG   LEU  10           HG       LEU  10  -0.964  -3.630  -4.460
   79   HD11  LEU  10          HD11      LEU  10  -2.996  -2.029  -4.187
   80   HD12  LEU  10          HD12      LEU  10  -3.021  -3.247  -5.460
   81   HD13  LEU  10          HD13      LEU  10  -2.635  -1.571  -5.850
   82   HD21  LEU  10          HD21      LEU  10  -0.290  -1.550  -6.510
   83   HD22  LEU  10          HD22      LEU  10  -0.805  -3.190  -6.907
   84   HD23  LEU  10          HD23      LEU  10   0.704  -2.925  -6.030
   85    H    GLY  11           HN       GLY  11  -2.380  -3.508  -3.160
   86    HA2  GLY  11           HA1      GLY  11  -2.684  -4.775  -0.738
   87    HA3  GLY  11           HA2      GLY  11  -2.568  -5.572  -2.298
   88    H    GLY  12           HN       GLY  12   0.195  -4.403  -2.636
   89    HA2  GLY  12           HA2      GLY  12   1.904  -5.273  -0.603
   90    HA3  GLY  12           HA1      GLY  12   1.644  -6.630  -1.687
   91    H    VAL  13           HN       VAL  13   1.743  -3.261  -2.723
   92    HA   VAL  13           HA       VAL  13   3.746  -3.850  -4.659
   93    HB   VAL  13           HB       VAL  13   1.921  -2.115  -4.907
   94   HG11  VAL  13          HG11      VAL  13   2.996  -1.174  -2.584
   95   HG12  VAL  13          HG12      VAL  13   1.870  -0.295  -3.620
   96   HG13  VAL  13          HG13      VAL  13   3.610  -0.031  -3.779
   97   HG21  VAL  13          HG21      VAL  13   3.803  -2.315  -6.476
   98   HG22  VAL  13          HG22      VAL  13   4.743  -1.210  -5.472
   99   HG23  VAL  13          HG23      VAL  13   3.281  -0.642  -6.277
  100    H    ASN  14           HN       ASN  14   4.090  -3.612  -1.498
  101    HA   ASN  14           HA       ASN  14   6.827  -2.572  -1.712
  102    HB2  ASN  14           HB1      ASN  14   4.867  -1.901   0.493
  103    HB3  ASN  14           HB2      ASN  14   6.576  -1.476   0.497
  104   HD21  ASN  14          HD21      ASN  14   4.336   1.293  -0.775
  105   HD22  ASN  14          HD22      ASN  14   4.191   0.217   0.570
  106    H    LYS  15           HN       LYS  15   5.182  -5.214  -1.306
  107    HA   LYS  15           HA       LYS  15   5.478  -7.215  -0.273
  108    HB2  LYS  15           HB1      LYS  15   8.211  -6.075   0.336
  109    HB3  LYS  15           HB2      LYS  15   7.762  -7.768   0.475
  110    HG2  LYS  15           HG2      LYS  15   7.338  -7.863  -1.924
  111    HG3  LYS  15           HG1      LYS  15   7.768  -6.157  -2.070
  112    HD2  LYS  15           HD1      LYS  15  10.025  -6.658  -1.267
  113    HD3  LYS  15           HD2      LYS  15   9.594  -8.364  -1.123
  114    HE2  LYS  15           HE2      LYS  15   9.176  -8.466  -3.528
  115    HE3  LYS  15           HE1      LYS  15   9.593  -6.759  -3.676
  116    HZ1  LYS  15           HZ1      LYS  15  11.426  -8.912  -2.768
  117    HZ2  LYS  15           HZ2      LYS  15  11.826  -7.276  -2.912
  118    HZ3  LYS  15           HZ3      LYS  15  11.444  -8.177  -4.292
  119    H    HIS  16           HN       HIS  16   3.934  -6.925   1.330
  120    HA   HIS  16           HA       HIS  16   4.774  -5.797   3.884
  121    HB2  HIS  16           HB2      HIS  16   2.115  -6.636   2.754
  122    HB3  HIS  16           HB1      HIS  16   2.316  -6.304   4.471
  123    HD1  HIS  16           HD1      HIS  16   3.034  -4.499   1.189
  124    HD2  HIS  16           HD2      HIS  16   1.814  -3.729   5.086
  125    HE1  HIS  16           HE1      HIS  16   2.551  -2.033   1.268
  126    HE2  HIS  16           HE2      HIS  16   1.815  -1.587   3.635
  127    H    SER  17           HN       SER  17   5.979  -7.198   5.021
  128    HA   SER  17           HA       SER  17   5.092  -9.988   5.227
  129    HB2  SER  17           HB2      SER  17   7.431  -9.672   4.563
  130    HB3  SER  17           HB1      SER  17   7.725  -8.713   6.013
  131    HG   SER  17           HG       SER  17   7.055 -10.651   7.197
  132    H    THR  18           HN       THR  18   5.737  -7.096   7.088
  133    HA   THR  18           HA       THR  18   4.403  -8.336   9.394
  134    HB   THR  18           HB       THR  18   5.923  -7.133  10.927
  135    HG1  THR  18           HG1      THR  18   6.721  -5.970   8.642
  136   HG21  THR  18          HG21      THR  18   7.310  -8.990   8.992
  137   HG22  THR  18          HG22      THR  18   6.382  -9.467  10.413
  138   HG23  THR  18          HG23      THR  18   7.892  -8.577  10.604
  139    H    SER  19           HN       SER  19   3.297  -6.858  10.784
  140    HA   SER  19           HA       SER  19   1.819  -4.904   9.509
  141    HB2  SER  19           HB2      SER  19   1.277  -4.065  11.807
  142    HB3  SER  19           HB1      SER  19   1.036  -5.800  11.594
  143    HG   SER  19           HG       SER  19   2.152  -5.626  13.461
  144    H    ILE  20           HN       ILE  20   2.112  -2.830   8.995
  145    HA   ILE  20           HA       ILE  20   4.218  -1.284  10.279
  146    HB   ILE  20           HB       ILE  20   5.040  -0.551   8.006
  147   HG12  ILE  20          HG11      ILE  20   4.699  -2.569   6.323
  148   HG13  ILE  20          HG12      ILE  20   3.210  -2.784   7.241
  149   HG21  ILE  20          HG21      ILE  20   5.458  -3.382   8.944
  150   HG22  ILE  20          HG22      ILE  20   6.414  -1.956   9.359
  151   HG23  ILE  20          HG23      ILE  20   6.457  -2.599   7.717
  152   HD11  ILE  20          HD11      ILE  20   2.936  -1.435   5.193
  153   HD12  ILE  20          HD12      ILE  20   4.014  -0.223   5.886
  154   HD13  ILE  20          HD13      ILE  20   2.473  -0.580   6.665
  155    H    GLY  21           HN       GLY  21   4.232   1.017   9.239
  156    HA2  GLY  21           HA2      GLY  21   1.866   1.976   8.005
  157    HA3  GLY  21           HA1      GLY  21   1.781   2.227   9.742
  158    H    LYS  22           HN       LYS  22   1.900   4.433   9.740
  159    HA   LYS  22           HA       LYS  22   4.511   5.570   9.441
  160    HB2  LYS  22           HB2      LYS  22   3.688   7.367   7.832
  161    HB3  LYS  22           HB1      LYS  22   4.008   5.779   7.149
  162    HG2  LYS  22           HG1      LYS  22   1.577   5.287   7.299
  163    HG3  LYS  22           HG2      LYS  22   1.320   6.953   7.819
  164    HD2  LYS  22           HD1      LYS  22   2.316   7.753   5.724
  165    HD3  LYS  22           HD2      LYS  22   2.543   6.081   5.203
  166    HE2  LYS  22           HE1      LYS  22   0.120   5.728   5.301
  167    HE3  LYS  22           HE2      LYS  22  -0.100   7.403   5.805
  168    HZ1  LYS  22           HZ1      LYS  22   0.845   8.126   3.703
  169    HZ2  LYS  22           HZ2      LYS  22  -0.498   7.130   3.439
  170    HZ3  LYS  22           HZ3      LYS  22   1.065   6.519   3.220
  Start of MODEL   10
    1    H1   ACE   0           HA1      ACE   0 -13.779  -0.354   1.146
    2    H2   ACE   0           HA2      ACE   0 -13.969   1.193   0.323
    3    H3   ACE   0           HA3      ACE   0 -14.689   0.979   1.917
    4    H    MET   1           HN       MET   1 -11.536   0.769   0.282
    5    HA   MET   1           HA       MET   1 -10.191   1.466   2.758
    6    HB2  MET   1           HB1      MET   1  -9.271  -0.321   1.328
    7    HB3  MET   1           HB2      MET   1  -9.022   0.869   0.051
    8    HG2  MET   1           HG1      MET   1  -7.061   0.172   1.609
    9    HG3  MET   1           HG2      MET   1  -7.248   1.858   1.106
   10    HE1  MET   1           HE1      MET   1  -9.288  -0.226   3.786
   11    HE2  MET   1           HE2      MET   1  -8.411   0.181   5.261
   12    HE3  MET   1           HE3      MET   1  -7.623  -0.766   4.000
   13    H    ASP   2           HN       ASP   2 -11.821   3.283   0.746
   14    HA   ASP   2           HA       ASP   2 -11.713   5.511   0.171
   15    HB2  ASP   2           HB2      ASP   2  -9.877   5.194   2.478
   16    HB3  ASP   2           HB1      ASP   2  -9.636   6.618   1.499
   17    H    TRP   3           HN       TRP   3 -10.045   3.245  -0.776
   18    HA   TRP   3           HA       TRP   3  -7.646   3.416  -1.457
   19    HB2  TRP   3           HB1      TRP   3  -9.950   2.558  -2.943
   20    HB3  TRP   3           HB2      TRP   3  -8.455   2.718  -3.849
   21    HD1  TRP   3           HD1      TRP   3  -9.985   0.090  -2.865
   22    HE1  TRP   3           HE1      TRP   3  -8.616  -1.801  -1.765
   23    HE3  TRP   3           HE3      TRP   3  -6.129   2.879  -1.259
   24    HZ2  TRP   3           HZ2      TRP   3  -6.159  -1.984  -0.350
   25    HZ3  TRP   3           HZ3      TRP   3  -4.319   1.815  -0.016
   26    HH2  TRP   3           HH2      TRP   3  -4.327  -0.561   0.426
   27    H    GLY   4           HN       GLY   4  -6.429   3.952  -2.713
   28    HA2  GLY   4           HA2      GLY   4  -5.868   5.461  -4.685
   29    HA3  GLY   4           HA1      GLY   4  -6.418   6.735  -3.583
   30    H    THR   5           HN       THR   5  -5.526   4.440  -1.669
   31    HA   THR   5           HA       THR   5  -2.828   5.365  -1.196
   32    HB   THR   5           HB       THR   5  -5.071   4.412   0.462
   33    HG1  THR   5           HG1      THR   5  -2.905   6.139   1.114
   34   HG21  THR   5          HG21      THR   5  -3.097   2.761   0.721
   35   HG22  THR   5          HG22      THR   5  -3.840   3.431   2.174
   36   HG23  THR   5          HG23      THR   5  -2.309   4.082   1.584
   37    H    LEU   6           HN       LEU   6  -4.416   2.982  -2.731
   38    HA   LEU   6           HA       LEU   6  -2.824   0.739  -1.946
   39    HB2  LEU   6           HB1      LEU   6  -3.977  -0.469  -3.766
   40    HB3  LEU   6           HB2      LEU   6  -5.030   0.243  -2.575
   41    HG   LEU   6           HG       LEU   6  -4.660   1.210  -5.388
   42   HD11  LEU   6          HD11      LEU   6  -7.119   0.299  -3.964
   43   HD12  LEU   6          HD12      LEU   6  -6.065  -0.847  -4.815
   44   HD13  LEU   6          HD13      LEU   6  -6.865   0.451  -5.711
   45   HD21  LEU   6          HD21      LEU   6  -6.394   2.310  -3.214
   46   HD22  LEU   6          HD22      LEU   6  -6.403   2.811  -4.913
   47   HD23  LEU   6          HD23      LEU   6  -4.983   3.121  -3.916
   48    H    GLN   7           HN       GLN   7  -3.278   1.628  -5.267
   49    HA   GLN   7           HA       GLN   7  -1.156   1.019  -6.574
   50    HB2  GLN   7           HB1      GLN   7  -1.031   3.750  -7.077
   51    HB3  GLN   7           HB2      GLN   7  -2.029   2.574  -7.930
   52    HG2  GLN   7           HG1      GLN   7  -3.492   4.275  -7.267
   53    HG3  GLN   7           HG2      GLN   7  -3.722   2.966  -6.099
   54   HE21  GLN   7          HE21      GLN   7  -3.043   3.190  -4.038
   55   HE22  GLN   7          HE22      GLN   7  -2.564   4.685  -3.347
   56    H    THR   8           HN       THR   8  -1.008   3.305  -3.909
   57    HA   THR   8           HA       THR   8   1.860   3.695  -4.228
   58    HB   THR   8           HB       THR   8   0.637   5.720  -3.821
   59    HG1  THR   8           HG1      THR   8   1.645   5.473  -1.274
   60   HG21  THR   8          HG21      THR   8  -0.812   3.992  -2.040
   61   HG22  THR   8          HG22      THR   8  -1.250   5.599  -2.648
   62   HG23  THR   8          HG23      THR   8  -0.275   5.447  -1.184
   63    H    ILE   9           HN       ILE   9  -0.457   2.465  -1.955
   64    HA   ILE   9           HA       ILE   9   1.684   1.142  -0.479
   65    HB   ILE   9           HB       ILE   9  -0.899   1.950   0.794
   66   HG12  ILE   9          HG11      ILE   9   0.212   3.997   0.014
   67   HG13  ILE   9          HG12      ILE   9   0.247   3.890   1.770
   68   HG21  ILE   9          HG21      ILE   9   0.293   0.213   1.959
   69   HG22  ILE   9          HG22      ILE   9   0.417   1.710   2.883
   70   HG23  ILE   9          HG23      ILE   9   1.783   1.156   1.915
   71   HD11  ILE   9          HD11      ILE   9   2.529   3.227  -0.074
   72   HD12  ILE   9          HD12      ILE   9   2.561   3.142   1.687
   73   HD13  ILE   9          HD13      ILE   9   2.358   4.698   0.881
   74    H    LEU  10           HN       LEU  10   0.137   0.326  -2.709
   75    HA   LEU  10           HA       LEU  10  -2.023  -1.202  -2.540
   76    HB2  LEU  10           HB2      LEU  10  -0.593  -0.875  -4.515
   77    HB3  LEU  10           HB1      LEU  10   0.472  -2.121  -3.910
   78    HG   LEU  10           HG       LEU  10  -1.183  -3.812  -4.234
   79   HD11  LEU  10          HD11      LEU  10  -3.068  -2.109  -3.567
   80   HD12  LEU  10          HD12      LEU  10  -3.426  -3.478  -4.616
   81   HD13  LEU  10          HD13      LEU  10  -3.179  -1.876  -5.310
   82   HD21  LEU  10          HD21      LEU  10  -1.071  -1.868  -6.510
   83   HD22  LEU  10          HD22      LEU  10  -1.669  -3.522  -6.661
   84   HD23  LEU  10          HD23      LEU  10   0.016  -3.226  -6.220
   85    H    GLY  11           HN       GLY  11  -2.409  -3.456  -2.474
   86    HA2  GLY  11           HA1      GLY  11  -1.936  -4.649  -0.060
   87    HA3  GLY  11           HA2      GLY  11  -2.406  -5.491  -1.527
   88    H    GLY  12           HN       GLY  12   0.175  -4.593  -2.830
   89    HA2  GLY  12           HA2      GLY  12   2.210  -5.948  -1.283
   90    HA3  GLY  12           HA1      GLY  12   1.657  -6.848  -2.684
   91    H    VAL  13           HN       VAL  13   1.816  -3.351  -2.774
   92    HA   VAL  13           HA       VAL  13   3.682  -3.488  -4.950
   93    HB   VAL  13           HB       VAL  13   1.814  -1.814  -4.826
   94   HG11  VAL  13          HG11      VAL  13   2.828  -1.331  -2.357
   95   HG12  VAL  13          HG12      VAL  13   1.697  -0.279  -3.208
   96   HG13  VAL  13          HG13      VAL  13   3.432   0.051  -3.268
   97   HG21  VAL  13          HG21      VAL  13   4.565  -0.633  -5.185
   98   HG22  VAL  13          HG22      VAL  13   3.059  -0.034  -5.879
   99   HG23  VAL  13          HG23      VAL  13   3.709  -1.590  -6.393
  100    H    ASN  14           HN       ASN  14   4.251  -3.983  -1.907
  101    HA   ASN  14           HA       ASN  14   7.002  -3.316  -2.030
  102    HB2  ASN  14           HB1      ASN  14   6.123  -1.066  -1.517
  103    HB3  ASN  14           HB2      ASN  14   5.340  -1.710  -0.077
  104   HD21  ASN  14          HD21      ASN  14   8.229  -1.786   1.872
  105   HD22  ASN  14          HD22      ASN  14   6.595  -2.313   1.690
  106    H    LYS  15           HN       LYS  15   4.250  -4.641  -0.529
  107    HA   LYS  15           HA       LYS  15   3.930  -6.265   1.024
  108    HB2  LYS  15           HB1      LYS  15   6.859  -6.824   0.529
  109    HB3  LYS  15           HB2      LYS  15   5.741  -7.904   1.351
  110    HG2  LYS  15           HG2      LYS  15   4.418  -8.087  -0.701
  111    HG3  LYS  15           HG1      LYS  15   5.557  -7.019  -1.523
  112    HD2  LYS  15           HD2      LYS  15   6.290  -9.662  -0.264
  113    HD3  LYS  15           HD1      LYS  15   5.946  -9.432  -1.980
  114    HE2  LYS  15           HE1      LYS  15   7.801  -7.837  -2.131
  115    HE3  LYS  15           HE2      LYS  15   8.150  -8.088  -0.422
  116    HZ1  LYS  15           HZ1      LYS  15   9.610  -9.402  -1.820
  117    HZ2  LYS  15           HZ2      LYS  15   8.283 -10.169  -2.537
  118    HZ3  LYS  15           HZ3      LYS  15   8.615 -10.412  -0.896
  119    H    HIS  16           HN       HIS  16   3.457  -5.134   2.843
  120    HA   HIS  16           HA       HIS  16   5.691  -4.325   4.575
  121    HB2  HIS  16           HB2      HIS  16   2.790  -3.473   4.675
  122    HB3  HIS  16           HB1      HIS  16   4.078  -2.868   5.712
  123    HD1  HIS  16           HD1      HIS  16   2.391  -2.224   2.559
  124    HD2  HIS  16           HD2      HIS  16   6.108  -1.373   4.213
  125    HE1  HIS  16           HE1      HIS  16   3.343  -0.367   1.155
  126    HE2  HIS  16           HE2      HIS  16   5.592   0.133   2.175
  127    H    SER  17           HN       SER  17   5.117  -4.462   6.983
  128    HA   SER  17           HA       SER  17   4.418  -7.210   7.543
  129    HB2  SER  17           HB2      SER  17   5.283  -4.972   9.392
  130    HB3  SER  17           HB1      SER  17   5.095  -6.663   9.859
  131    HG   SER  17           HG       SER  17   6.722  -7.171   8.318
  132    H    THR  18           HN       THR  18   2.583  -4.628   6.980
  133    HA   THR  18           HA       THR  18   0.799  -4.558   9.187
  134    HB   THR  18           HB       THR  18  -0.722  -3.345   7.699
  135    HG1  THR  18           HG1      THR  18  -0.597  -4.048   5.685
  136   HG21  THR  18          HG21      THR  18   1.118  -2.115   8.733
  137   HG22  THR  18          HG22      THR  18   0.758  -1.470   7.132
  138   HG23  THR  18          HG23      THR  18   2.162  -2.511   7.368
  139    H    SER  19           HN       SER  19  -1.087  -5.614   9.567
  140    HA   SER  19           HA       SER  19  -1.508  -8.091   8.116
  141    HB2  SER  19           HB1      SER  19  -1.538  -8.093  10.582
  142    HB3  SER  19           HB2      SER  19  -2.906  -6.980  10.554
  143    HG   SER  19           HG       SER  19  -4.191  -8.597  10.167
  144    H    ILE  20           HN       ILE  20  -2.265  -5.203   7.285
  145    HA   ILE  20           HA       ILE  20  -5.106  -5.673   6.715
  146    HB   ILE  20           HB       ILE  20  -5.159  -3.258   6.084
  147   HG12  ILE  20          HG11      ILE  20  -3.169  -1.949   7.155
  148   HG13  ILE  20          HG12      ILE  20  -2.289  -3.458   6.952
  149   HG21  ILE  20          HG21      ILE  20  -4.207  -3.896   8.872
  150   HG22  ILE  20          HG22      ILE  20  -5.867  -4.018   8.285
  151   HG23  ILE  20          HG23      ILE  20  -5.084  -2.441   8.394
  152   HD11  ILE  20          HD11      ILE  20  -1.912  -1.875   5.118
  153   HD12  ILE  20          HD12      ILE  20  -3.632  -1.936   4.733
  154   HD13  ILE  20          HD13      ILE  20  -2.640  -3.383   4.567
  155    H    GLY  21           HN       GLY  21  -5.782  -4.587   4.537
  156    HA2  GLY  21           HA1      GLY  21  -5.482  -4.347   2.235
  157    HA3  GLY  21           HA2      GLY  21  -3.819  -4.884   2.420
  158    H    LYS  22           HN       LYS  22  -3.335  -7.080   2.344
  159    HA   LYS  22           HA       LYS  22  -5.499  -8.750   1.255
  160    HB2  LYS  22           HB1      LYS  22  -2.505  -8.998   0.904
  161    HB3  LYS  22           HB2      LYS  22  -3.697 -10.091   0.217
  162    HG2  LYS  22           HG1      LYS  22  -3.506  -7.148  -0.396
  163    HG3  LYS  22           HG2      LYS  22  -2.845  -8.441  -1.400
  164    HD2  LYS  22           HD1      LYS  22  -5.084  -9.359  -1.713
  165    HD3  LYS  22           HD2      LYS  22  -5.756  -8.092  -0.683
  166    HE2  LYS  22           HE1      LYS  22  -4.311  -7.663  -3.295
  167    HE3  LYS  22           HE2      LYS  22  -6.057  -7.584  -3.059
  168    HZ1  LYS  22           HZ1      LYS  22  -4.055  -5.804  -1.776
  169    HZ2  LYS  22           HZ2      LYS  22  -5.728  -5.730  -1.542
  170    HZ3  LYS  22           HZ3      LYS  22  -5.072  -5.384  -3.062
  Start of MODEL   11
    1    H1   ACE   0           HA1      ACE   0 -14.337   1.173   1.342
    2    H2   ACE   0           HA2      ACE   0 -13.733   1.942  -0.124
    3    H3   ACE   0           HA3      ACE   0 -14.568   2.927   1.076
    4    H    MET   1           HN       MET   1 -11.621   2.237  -0.118
    5    HA   MET   1           HA       MET   1 -10.252   2.577   2.451
    6    HB2  MET   1           HB1      MET   1  -9.570   0.626   1.103
    7    HB3  MET   1           HB2      MET   1  -9.092   1.724  -0.190
    8    HG2  MET   1           HG1      MET   1  -7.326   0.778   1.474
    9    HG3  MET   1           HG2      MET   1  -7.224   2.451   0.909
   10    HE1  MET   1           HE1      MET   1  -5.961   2.643   4.631
   11    HE2  MET   1           HE2      MET   1  -5.588   3.012   2.947
   12    HE3  MET   1           HE3      MET   1  -5.689   1.335   3.480
   13    H    ASP   2           HN       ASP   2 -11.515   4.551   0.327
   14    HA   ASP   2           HA       ASP   2 -11.048   6.716  -0.306
   15    HB2  ASP   2           HB2      ASP   2  -9.367   6.204   2.081
   16    HB3  ASP   2           HB1      ASP   2  -8.876   7.540   1.073
   17    H    TRP   3           HN       TRP   3  -9.714   4.193  -1.122
   18    HA   TRP   3           HA       TRP   3  -7.293   3.977  -1.711
   19    HB2  TRP   3           HB1      TRP   3  -9.647   3.429  -3.265
   20    HB3  TRP   3           HB2      TRP   3  -8.114   3.328  -4.113
   21    HD1  TRP   3           HD1      TRP   3 -10.062   0.998  -3.118
   22    HE1  TRP   3           HE1      TRP   3  -9.037  -1.039  -1.910
   23    HE3  TRP   3           HE3      TRP   3  -5.884   3.224  -1.439
   24    HZ2  TRP   3           HZ2      TRP   3  -6.688  -1.545  -0.393
   25    HZ3  TRP   3           HZ3      TRP   3  -4.302   1.940  -0.095
   26    HH2  TRP   3           HH2      TRP   3  -4.688  -0.390   0.414
   27    H    GLY   4           HN       GLY   4  -5.965   4.279  -2.931
   28    HA2  GLY   4           HA2      GLY   4  -5.107   5.619  -4.917
   29    HA3  GLY   4           HA1      GLY   4  -5.500   6.999  -3.876
   30    H    THR   5           HN       THR   5  -5.034   4.651  -1.870
   31    HA   THR   5           HA       THR   5  -2.248   5.181  -1.308
   32    HB   THR   5           HB       THR   5  -4.670   4.635   0.281
   33    HG1  THR   5           HG1      THR   5  -3.194   5.991   1.743
   34   HG21  THR   5          HG21      THR   5  -2.984   2.714   0.671
   35   HG22  THR   5          HG22      THR   5  -3.667   3.540   2.073
   36   HG23  THR   5          HG23      THR   5  -2.034   3.928   1.527
   37    H    LEU   6           HN       LEU   6  -4.116   3.020  -2.846
   38    HA   LEU   6           HA       LEU   6  -2.911   0.585  -1.939
   39    HB2  LEU   6           HB1      LEU   6  -4.179  -0.496  -3.761
   40    HB3  LEU   6           HB2      LEU   6  -5.149   0.411  -2.632
   41    HG   LEU   6           HG       LEU   6  -4.542   1.212  -5.457
   42   HD11  LEU   6          HD11      LEU   6  -7.158   0.734  -4.105
   43   HD12  LEU   6          HD12      LEU   6  -6.262  -0.589  -4.876
   44   HD13  LEU   6          HD13      LEU   6  -6.822   0.780  -5.844
   45   HD21  LEU   6          HD21      LEU   6  -6.163   2.634  -3.386
   46   HD22  LEU   6          HD22      LEU   6  -6.033   3.074  -5.097
   47   HD23  LEU   6          HD23      LEU   6  -4.620   3.198  -4.051
   48    H    GLN   7           HN       GLN   7  -3.120   1.462  -5.293
   49    HA   GLN   7           HA       GLN   7  -1.074   0.483  -6.508
   50    HB2  GLN   7           HB1      GLN   7  -0.523   3.147  -7.078
   51    HB3  GLN   7           HB2      GLN   7  -1.659   2.108  -7.936
   52    HG2  GLN   7           HG1      GLN   7  -2.867   4.031  -7.370
   53    HG3  GLN   7           HG2      GLN   7  -3.333   2.806  -6.183
   54   HE21  GLN   7          HE21      GLN   7  -2.690   2.980  -4.102
   55   HE22  GLN   7          HE22      GLN   7  -2.017   4.408  -3.429
   56    H    THR   8           HN       THR   8  -0.679   2.776  -3.881
   57    HA   THR   8           HA       THR   8   2.226   2.725  -4.103
   58    HB   THR   8           HB       THR   8   1.303   4.925  -3.818
   59    HG1  THR   8           HG1      THR   8   2.473   4.004  -1.381
   60   HG21  THR   8          HG21      THR   8  -0.436   3.506  -2.026
   61   HG22  THR   8          HG22      THR   8  -0.608   5.137  -2.697
   62   HG23  THR   8          HG23      THR   8   0.294   4.891  -1.200
   63    H    ILE   9           HN       ILE   9  -0.337   1.935  -1.897
   64    HA   ILE   9           HA       ILE   9   1.523   0.355  -0.298
   65    HB   ILE   9           HB       ILE   9  -0.899   1.658   0.878
   66   HG12  ILE   9          HG11      ILE   9   0.594   3.429   0.034
   67   HG13  ILE   9          HG12      ILE   9   0.539   3.413   1.792
   68   HG21  ILE   9          HG21      ILE   9   1.579   0.458   2.105
   69   HG22  ILE   9          HG22      ILE   9  -0.050  -0.216   2.137
   70   HG23  ILE   9          HG23      ILE   9   0.304   1.275   3.008
   71   HD11  ILE   9          HD11      ILE   9   2.734   2.246   0.101
   72   HD12  ILE   9          HD12      ILE   9   2.682   2.271   1.863
   73   HD13  ILE   9          HD13      ILE   9   2.795   3.783   0.961
   74    H    LEU  10           HN       LEU  10  -0.102  -0.294  -2.522
   75    HA   LEU  10           HA       LEU  10  -2.486  -1.418  -2.359
   76    HB2  LEU  10           HB2      LEU  10  -1.022  -1.483  -4.298
   77    HB3  LEU  10           HB1      LEU  10  -0.123  -2.794  -3.576
   78    HG   LEU  10           HG       LEU  10  -1.975  -4.294  -3.801
   79   HD11  LEU  10          HD11      LEU  10  -3.596  -2.157  -3.443
   80   HD12  LEU  10          HD12      LEU  10  -4.139  -3.710  -4.074
   81   HD13  LEU  10          HD13      LEU  10  -3.751  -2.393  -5.182
   82   HD21  LEU  10          HD21      LEU  10  -1.569  -2.576  -6.223
   83   HD22  LEU  10          HD22      LEU  10  -2.375  -4.146  -6.259
   84   HD23  LEU  10          HD23      LEU  10  -0.676  -4.034  -5.794
   85    H    GLY  11           HN       GLY  11  -3.362  -3.436  -2.042
   86    HA2  GLY  11           HA1      GLY  11  -2.981  -4.561   0.452
   87    HA3  GLY  11           HA2      GLY  11  -3.855  -5.282  -0.888
   88    H    GLY  12           HN       GLY  12  -1.253  -5.182  -2.478
   89    HA2  GLY  12           HA1      GLY  12   0.022  -7.504  -1.168
   90    HA3  GLY  12           HA2      GLY  12  -0.330  -7.482  -2.887
   91    H    VAL  13           HN       VAL  13   0.475  -4.555  -2.948
   92    HA   VAL  13           HA       VAL  13   3.062  -4.879  -3.884
   93    HB   VAL  13           HB       VAL  13   1.439  -2.886  -4.192
   94   HG11  VAL  13          HG11      VAL  13   1.857  -2.574  -1.559
   95   HG12  VAL  13          HG12      VAL  13   1.343  -1.275  -2.635
   96   HG13  VAL  13          HG13      VAL  13   3.047  -1.444  -2.202
   97   HG21  VAL  13          HG21      VAL  13   3.597  -3.074  -5.313
   98   HG22  VAL  13          HG22      VAL  13   4.411  -2.449  -3.878
   99   HG23  VAL  13          HG23      VAL  13   3.310  -1.415  -4.789
  100    H    ASN  14           HN       ASN  14   5.106  -4.189  -3.078
  101    HA   ASN  14           HA       ASN  14   5.292  -3.899  -0.169
  102    HB2  ASN  14           HB2      ASN  14   7.166  -5.519  -0.100
  103    HB3  ASN  14           HB1      ASN  14   5.645  -6.269  -0.576
  104   HD21  ASN  14          HD21      ASN  14   8.556  -7.285  -2.754
  105   HD22  ASN  14          HD22      ASN  14   8.389  -7.130  -1.042
  106    H    LYS  15           HN       LYS  15   6.203  -1.970   0.067
  107    HA   LYS  15           HA       LYS  15   8.841  -1.470  -0.881
  108    HB2  LYS  15           HB2      LYS  15   8.244   0.600  -2.177
  109    HB3  LYS  15           HB1      LYS  15   7.805  -0.912  -2.956
  110    HG2  LYS  15           HG2      LYS  15   5.496  -0.629  -2.246
  111    HG3  LYS  15           HG1      LYS  15   5.925   0.870  -1.418
  112    HD2  LYS  15           HD2      LYS  15   6.263   0.394  -4.377
  113    HD3  LYS  15           HD1      LYS  15   4.887   1.224  -3.648
  114    HE2  LYS  15           HE2      LYS  15   6.402   2.908  -2.717
  115    HE3  LYS  15           HE1      LYS  15   7.772   2.081  -3.457
  116    HZ1  LYS  15           HZ1      LYS  15   6.810   2.511  -5.632
  117    HZ2  LYS  15           HZ2      LYS  15   7.055   3.957  -4.790
  118    HZ3  LYS  15           HZ3      LYS  15   5.499   3.309  -4.920
  119    H    HIS  16           HN       HIS  16   6.287  -0.978   1.162
  120    HA   HIS  16           HA       HIS  16   7.270   1.569   2.210
  121    HB2  HIS  16           HB1      HIS  16   5.264   1.501   3.655
  122    HB3  HIS  16           HB2      HIS  16   4.857   1.377   1.947
  123    HD1  HIS  16           HD1      HIS  16   3.884  -0.869   1.117
  124    HD2  HIS  16           HD2      HIS  16   4.683  -0.763   5.194
  125    HE1  HIS  16           HE1      HIS  16   2.728  -2.884   2.081
  126    HE2  HIS  16           HE2      HIS  16   3.226  -2.802   4.550
  127    H    SER  17           HN       SER  17   6.962  -1.824   3.066
  128    HA   SER  17           HA       SER  17   9.109  -1.688   4.918
  129    HB2  SER  17           HB2      SER  17   7.407  -0.673   6.360
  130    HB3  SER  17           HB1      SER  17   6.338  -2.049   6.089
  131    HG   SER  17           HG       SER  17   8.728  -1.912   7.564
  132    H    THR  18           HN       THR  18   9.828  -3.734   5.553
  133    HA   THR  18           HA       THR  18   8.646  -5.930   4.023
  134    HB   THR  18           HB       THR  18  11.303  -5.827   5.467
  135    HG1  THR  18           HG1      THR  18  11.890  -4.737   3.756
  136   HG21  THR  18          HG21      THR  18  10.193  -7.823   3.490
  137   HG22  THR  18          HG22      THR  18  10.459  -8.104   5.210
  138   HG23  THR  18          HG23      THR  18  11.832  -7.827   4.139
  139    H    SER  19           HN       SER  19   6.917  -6.554   5.287
  140    HA   SER  19           HA       SER  19   7.562  -8.225   7.536
  141    HB2  SER  19           HB2      SER  19   5.786  -5.808   7.931
  142    HB3  SER  19           HB1      SER  19   6.008  -7.103   9.106
  143    HG   SER  19           HG       SER  19   8.289  -6.542   9.048
  144    H    ILE  20           HN       ILE  20   6.101  -7.885   4.808
  145    HA   ILE  20           HA       ILE  20   3.622  -9.278   5.576
  146    HB   ILE  20           HB       ILE  20   2.732  -8.599   3.378
  147   HG12  ILE  20          HG12      ILE  20   5.310  -7.025   3.176
  148   HG13  ILE  20          HG11      ILE  20   4.866  -8.407   2.180
  149   HG21  ILE  20          HG21      ILE  20   3.748  -6.293   5.034
  150   HG22  ILE  20          HG22      ILE  20   2.304  -7.245   5.377
  151   HG23  ILE  20          HG23      ILE  20   2.381  -6.252   3.922
  152   HD11  ILE  20          HD11      ILE  20   3.489  -5.733   2.232
  153   HD12  ILE  20          HD12      ILE  20   2.982  -7.124   1.273
  154   HD13  ILE  20          HD13      ILE  20   4.538  -6.357   0.960
  155    H    GLY  21           HN       GLY  21   2.884 -10.486   3.307
  156    HA2  GLY  21           HA1      GLY  21   3.363 -12.157   1.769
  157    HA3  GLY  21           HA2      GLY  21   5.075 -11.908   2.079
  158    H    LYS  22           HN       LYS  22   6.113 -13.453   3.154
  159    HA   LYS  22           HA       LYS  22   4.494 -15.452   4.578
  160    HB2  LYS  22           HB2      LYS  22   6.542 -16.923   4.276
  161    HB3  LYS  22           HB1      LYS  22   5.644 -16.529   2.818
  162    HG2  LYS  22           HG2      LYS  22   7.997 -14.870   3.604
  163    HG3  LYS  22           HG1      LYS  22   8.235 -16.429   2.813
  164    HD2  LYS  22           HD2      LYS  22   6.808 -15.689   0.955
  165    HD3  LYS  22           HD1      LYS  22   6.613 -14.121   1.741
  166    HE2  LYS  22           HE1      LYS  22   8.312 -14.014   0.000
  167    HE3  LYS  22           HE2      LYS  22   9.023 -13.742   1.591
  168    HZ1  LYS  22           HZ1      LYS  22   9.784 -16.030   1.610
  169    HZ2  LYS  22           HZ2      LYS  22  10.378 -15.225   0.246
  170    HZ3  LYS  22           HZ3      LYS  22   9.086 -16.307   0.093
  Start of MODEL   12
    1    H1   ACE   0           HA1      ACE   0 -15.549   1.143  -2.726
    2    H2   ACE   0           HA2      ACE   0 -14.226   0.450  -3.662
    3    H3   ACE   0           HA3      ACE   0 -14.581   2.167  -3.829
    4    H    MET   1           HN       MET   1 -12.048   1.207  -3.181
    5    HA   MET   1           HA       MET   1 -11.709   1.573  -0.324
    6    HB2  MET   1           HB1      MET   1 -10.410  -0.157  -1.504
    7    HB3  MET   1           HB2      MET   1  -9.634   1.110  -2.453
    8    HG2  MET   1           HG1      MET   1  -8.447   0.104  -0.370
    9    HG3  MET   1           HG2      MET   1  -8.341   1.836  -0.711
   10    HE1  MET   1           HE1      MET   1  -9.930  -0.981   1.504
   11    HE2  MET   1           HE2      MET   1 -11.363  -0.260   0.772
   12    HE3  MET   1           HE3      MET   1 -11.070  -0.079   2.501
   13    H    ASP   2           HN       ASP   2 -12.358   3.704  -2.567
   14    HA   ASP   2           HA       ASP   2 -11.924   5.955  -2.795
   15    HB2  ASP   2           HB2      ASP   2 -11.112   5.265  -0.029
   16    HB3  ASP   2           HB1      ASP   2 -10.447   6.741  -0.675
   17    H    TRP   3           HN       TRP   3 -10.145   3.636  -3.319
   18    HA   TRP   3           HA       TRP   3  -7.660   3.646  -3.041
   19    HB2  TRP   3           HB1      TRP   3  -9.275   3.140  -5.363
   20    HB3  TRP   3           HB2      TRP   3  -7.542   3.240  -5.625
   21    HD1  TRP   3           HD1      TRP   3  -9.467   0.689  -5.591
   22    HE1  TRP   3           HE1      TRP   3  -8.719  -1.410  -4.291
   23    HE3  TRP   3           HE3      TRP   3  -6.361   2.954  -2.357
   24    HZ2  TRP   3           HZ2      TRP   3  -6.992  -1.947  -2.100
   25    HZ3  TRP   3           HZ3      TRP   3  -5.213   1.619  -0.667
   26    HH2  TRP   3           HH2      TRP   3  -5.518  -0.777  -0.540
   27    H    GLY   4           HN       GLY   4  -6.033   4.177  -3.686
   28    HA2  GLY   4           HA2      GLY   4  -4.693   5.800  -5.117
   29    HA3  GLY   4           HA1      GLY   4  -5.555   7.015  -4.158
   30    H    THR   5           HN       THR   5  -5.564   4.478  -2.337
   31    HA   THR   5           HA       THR   5  -3.205   5.112  -0.792
   32    HB   THR   5           HB       THR   5  -5.952   4.213  -0.208
   33    HG1  THR   5           HG1      THR   5  -4.173   5.644   1.473
   34   HG21  THR   5          HG21      THR   5  -4.307   2.382   0.577
   35   HG22  THR   5          HG22      THR   5  -5.502   2.991   1.725
   36   HG23  THR   5          HG23      THR   5  -3.830   3.551   1.809
   37    H    LEU   6           HN       LEU   6  -4.207   3.041  -3.077
   38    HA   LEU   6           HA       LEU   6  -3.140   0.602  -2.027
   39    HB2  LEU   6           HB1      LEU   6  -3.601  -0.342  -4.260
   40    HB3  LEU   6           HB2      LEU   6  -4.983   0.364  -3.465
   41    HG   LEU   6           HG       LEU   6  -3.534   1.525  -5.820
   42   HD11  LEU   6          HD11      LEU   6  -6.392   0.724  -5.516
   43   HD12  LEU   6          HD12      LEU   6  -5.158  -0.440  -6.036
   44   HD13  LEU   6          HD13      LEU   6  -5.489   0.994  -7.016
   45   HD21  LEU   6          HD21      LEU   6  -5.900   2.586  -4.327
   46   HD22  LEU   6          HD22      LEU   6  -5.244   3.231  -5.842
   47   HD23  LEU   6          HD23      LEU   6  -4.288   3.325  -4.364
   48    H    GLN   7           HN       GLN   7  -2.300   1.945  -5.116
   49    HA   GLN   7           HA       GLN   7   0.125   1.191  -5.581
   50    HB2  GLN   7           HB1      GLN   7   0.585   3.906  -5.831
   51    HB3  GLN   7           HB2      GLN   7  -0.128   2.867  -7.064
   52    HG2  GLN   7           HG1      GLN   7  -1.545   4.747  -6.790
   53    HG3  GLN   7           HG2      GLN   7  -2.339   3.364  -6.022
   54   HE21  GLN   7          HE21      GLN   7  -2.482   3.259  -3.817
   55   HE22  GLN   7          HE22      GLN   7  -2.204   4.605  -2.791
   56    H    THR   8           HN       THR   8  -0.682   3.193  -2.836
   57    HA   THR   8           HA       THR   8   2.106   3.448  -2.050
   58    HB   THR   8           HB       THR   8   0.718   5.463  -1.863
   59    HG1  THR   8           HG1      THR   8   1.876   4.264   0.411
   60   HG21  THR   8          HG21      THR   8  -1.142   3.637  -0.844
   61   HG22  THR   8          HG22      THR   8  -1.334   5.389  -1.012
   62   HG23  THR   8          HG23      THR   8  -0.729   4.708   0.501
   63    H    ILE   9           HN       ILE   9  -0.859   1.966  -1.045
   64    HA   ILE   9           HA       ILE   9   0.580   0.526   1.036
   65    HB   ILE   9           HB       ILE   9  -2.389   0.958   0.904
   66   HG12  ILE   9          HG11      ILE   9  -1.198   3.028   1.457
   67   HG13  ILE   9          HG12      ILE   9  -2.070   2.419   2.860
   68   HG21  ILE   9          HG21      ILE   9  -0.684  -0.347   3.018
   69   HG22  ILE   9          HG22      ILE   9  -1.834  -1.151   1.951
   70   HG23  ILE   9          HG23      ILE   9  -2.408  -0.008   3.164
   71   HD11  ILE   9          HD11      ILE   9   0.009   1.509   3.756
   72   HD12  ILE   9          HD12      ILE   9   0.119   3.247   3.482
   73   HD13  ILE   9          HD13      ILE   9   0.881   2.127   2.353
   74    H    LEU  10           HN       LEU  10  -1.747   0.326  -1.462
   75    HA   LEU  10           HA       LEU  10  -2.643  -1.307  -2.728
   76    HB2  LEU  10           HB2      LEU  10  -0.332  -1.048  -3.537
   77    HB3  LEU  10           HB1      LEU  10   0.123  -2.443  -2.578
   78    HG   LEU  10           HG       LEU  10  -1.211  -3.900  -3.938
   79   HD11  LEU  10          HD11      LEU  10  -3.029  -2.062  -4.230
   80   HD12  LEU  10          HD12      LEU  10  -2.784  -3.245  -5.513
   81   HD13  LEU  10          HD13      LEU  10  -2.104  -1.624  -5.666
   82   HD21  LEU  10          HD21      LEU  10   0.312  -1.892  -5.559
   83   HD22  LEU  10          HD22      LEU  10  -0.232  -3.450  -6.184
   84   HD23  LEU  10          HD23      LEU  10   0.939  -3.385  -4.864
   85    H    GLY  11           HN       GLY  11  -2.914  -3.646  -3.133
   86    HA2  GLY  11           HA1      GLY  11  -4.071  -4.909  -0.967
   87    HA3  GLY  11           HA2      GLY  11  -3.597  -5.679  -2.473
   88    H    GLY  12           HN       GLY  12  -0.759  -4.769  -1.890
   89    HA2  GLY  12           HA2      GLY  12   0.259  -5.829   0.447
   90    HA3  GLY  12           HA1      GLY  12   0.103  -7.190  -0.653
   91    H    VAL  13           HN       VAL  13   0.892  -3.890  -1.616
   92    HA   VAL  13           HA       VAL  13   3.045  -4.640  -3.211
   93    HB   VAL  13           HB       VAL  13   1.916  -2.509  -3.516
   94   HG11  VAL  13          HG11      VAL  13   1.908  -2.270  -0.904
   95   HG12  VAL  13          HG12      VAL  13   1.809  -0.858  -1.956
   96   HG13  VAL  13          HG13      VAL  13   3.349  -1.306  -1.215
   97   HG21  VAL  13          HG21      VAL  13   4.842  -2.169  -2.858
   98   HG22  VAL  13          HG22      VAL  13   3.879  -1.088  -3.864
   99   HG23  VAL  13          HG23      VAL  13   4.184  -2.743  -4.390
  100    H    ASN  14           HN       ASN  14   5.262  -4.621  -2.952
  101    HA   ASN  14           HA       ASN  14   6.298  -4.142  -0.248
  102    HB2  ASN  14           HB1      ASN  14   7.669  -6.182  -0.389
  103    HB3  ASN  14           HB2      ASN  14   5.949  -6.556  -0.449
  104   HD21  ASN  14          HD21      ASN  14   8.384  -7.368  -3.586
  105   HD22  ASN  14          HD22      ASN  14   8.924  -6.441  -2.233
  106    H    LYS  15           HN       LYS  15   6.368  -2.935  -3.094
  107    HA   LYS  15           HA       LYS  15   9.116  -3.074  -3.881
  108    HB2  LYS  15           HB1      LYS  15   6.957  -1.109  -4.669
  109    HB3  LYS  15           HB2      LYS  15   8.521  -1.271  -5.456
  110    HG2  LYS  15           HG2      LYS  15   7.957  -3.553  -6.119
  111    HG3  LYS  15           HG1      LYS  15   6.388  -3.394  -5.327
  112    HD2  LYS  15           HD2      LYS  15   7.350  -1.640  -7.585
  113    HD3  LYS  15           HD1      LYS  15   6.300  -3.045  -7.785
  114    HE2  LYS  15           HE1      LYS  15   4.626  -1.994  -6.339
  115    HE3  LYS  15           HE2      LYS  15   5.674  -0.590  -6.146
  116    HZ1  LYS  15           HZ1      LYS  15   4.509  -1.536  -8.709
  117    HZ2  LYS  15           HZ2      LYS  15   5.515  -0.190  -8.524
  118    HZ3  LYS  15           HZ3      LYS  15   3.979  -0.199  -7.815
  119    H    HIS  16           HN       HIS  16   7.485  -1.429  -1.438
  120    HA   HIS  16           HA       HIS  16   9.192   0.905  -1.403
  121    HB2  HIS  16           HB1      HIS  16   7.188  -0.076   0.638
  122    HB3  HIS  16           HB2      HIS  16   7.971   1.500   0.643
  123    HD1  HIS  16           HD1      HIS  16   5.040  -0.251  -0.614
  124    HD2  HIS  16           HD2      HIS  16   7.196   3.146  -1.650
  125    HE1  HIS  16           HE1      HIS  16   3.527   1.071  -2.126
  126    HE2  HIS  16           HE2      HIS  16   4.851   3.124  -2.739
  127    H    SER  17           HN       SER  17  10.919   1.274  -0.100
  128    HA   SER  17           HA       SER  17  12.369  -0.926   0.902
  129    HB2  SER  17           HB1      SER  17  12.727   2.028   1.468
  130    HB3  SER  17           HB2      SER  17  13.911   0.772   1.825
  131    HG   SER  17           HG       SER  17  12.908   1.050  -0.784
  132    H    THR  18           HN       THR  18  10.690   1.711   2.613
  133    HA   THR  18           HA       THR  18  11.131   0.683   5.205
  134    HB   THR  18           HB       THR  18   8.857   2.476   4.334
  135    HG1  THR  18           HG1      THR  18  11.338   2.999   4.007
  136   HG21  THR  18          HG21      THR  18  10.231   2.130   7.000
  137   HG22  THR  18          HG22      THR  18   8.609   1.573   6.591
  138   HG23  THR  18          HG23      THR  18   8.962   3.300   6.643
  139    H    SER  19           HN       SER  19   9.656  -0.346   6.638
  140    HA   SER  19           HA       SER  19   8.089  -2.389   5.380
  141    HB2  SER  19           HB1      SER  19   9.438  -2.688   7.501
  142    HB3  SER  19           HB2      SER  19   8.198  -1.737   8.317
  143    HG   SER  19           HG       SER  19   8.168  -4.331   7.752
  144    H    ILE  20           HN       ILE  20   7.444   0.709   5.813
  145    HA   ILE  20           HA       ILE  20   5.622   2.036   6.115
  146    HB   ILE  20           HB       ILE  20   3.885   1.573   4.648
  147   HG12  ILE  20          HG12      ILE  20   4.462  -1.386   4.933
  148   HG13  ILE  20          HG11      ILE  20   3.136  -0.543   5.726
  149   HG21  ILE  20          HG21      ILE  20   6.352   0.076   3.819
  150   HG22  ILE  20          HG22      ILE  20   5.874   1.723   3.396
  151   HG23  ILE  20          HG23      ILE  20   4.996   0.349   2.720
  152   HD11  ILE  20          HD11      ILE  20   2.216   0.024   3.514
  153   HD12  ILE  20          HD12      ILE  20   2.318  -1.714   3.798
  154   HD13  ILE  20          HD13      ILE  20   3.506  -0.918   2.766
  155    H    GLY  21           HN       GLY  21   2.959   1.633   6.530
  156    HA2  GLY  21           HA1      GLY  21   1.395   0.620   8.014
  157    HA3  GLY  21           HA2      GLY  21   2.739  -0.029   8.942
  158    H    LYS  22           HN       LYS  22   4.202   1.790   9.872
  159    HA   LYS  22           HA       LYS  22   2.614   4.085  10.752
  160    HB2  LYS  22           HB1      LYS  22   4.015   2.166  12.623
  161    HB3  LYS  22           HB2      LYS  22   3.303   3.700  13.103
  162    HG2  LYS  22           HG2      LYS  22   1.111   2.935  12.614
  163    HG3  LYS  22           HG1      LYS  22   1.729   1.487  11.816
  164    HD2  LYS  22           HD2      LYS  22   2.608   0.670  13.930
  165    HD3  LYS  22           HD1      LYS  22   2.057   2.137  14.744
  166    HE2  LYS  22           HE1      LYS  22   0.307   0.087  13.390
  167    HE3  LYS  22           HE2      LYS  22   0.515   0.287  15.129
  168    HZ1  LYS  22           HZ1      LYS  22  -0.636   2.310  13.285
  169    HZ2  LYS  22           HZ2      LYS  22  -0.442   2.498  14.954
  170    HZ3  LYS  22           HZ3      LYS  22  -1.515   1.338  14.354
  Start of MODEL   13
    1    H1   ACE   0           HA1      ACE   0 -13.965   0.032  -0.913
    2    H2   ACE   0           HA2      ACE   0 -14.682   1.611  -0.606
    3    H3   ACE   0           HA3      ACE   0 -15.031   0.287   0.502
    4    H    MET   1           HN       MET   1 -11.867   0.795  -0.868
    5    HA   MET   1           HA       MET   1 -10.799   1.184   1.805
    6    HB2  MET   1           HB1      MET   1  -9.772  -0.492   0.317
    7    HB3  MET   1           HB2      MET   1  -9.342   0.803  -0.800
    8    HG2  MET   1           HG1      MET   1  -7.596  -0.120   0.891
    9    HG3  MET   1           HG2      MET   1  -7.672   1.613   0.540
   10    HE1  MET   1           HE1      MET   1  -8.453  -1.259   3.095
   11    HE2  MET   1           HE2      MET   1 -10.068  -0.632   2.760
   12    HE3  MET   1           HE3      MET   1  -9.348  -0.407   4.354
   13    H    ASP   2           HN       ASP   2 -12.129   3.255  -0.177
   14    HA   ASP   2           HA       ASP   2 -11.887   5.523  -0.505
   15    HB2  ASP   2           HB2      ASP   2 -10.337   4.903   1.945
   16    HB3  ASP   2           HB1      ASP   2  -9.945   6.406   1.151
   17    H    TRP   3           HN       TRP   3 -10.192   3.293  -1.490
   18    HA   TRP   3           HA       TRP   3  -7.726   3.431  -1.880
   19    HB2  TRP   3           HB1      TRP   3  -9.870   2.820  -3.693
   20    HB3  TRP   3           HB2      TRP   3  -8.276   3.004  -4.405
   21    HD1  TRP   3           HD1      TRP   3  -9.992   0.360  -3.871
   22    HE1  TRP   3           HE1      TRP   3  -8.820  -1.685  -2.823
   23    HE3  TRP   3           HE3      TRP   3  -6.259   2.810  -1.568
   24    HZ2  TRP   3           HZ2      TRP   3  -6.550  -2.113  -1.169
   25    HZ3  TRP   3           HZ3      TRP   3  -4.639   1.551  -0.247
   26    HH2  TRP   3           HH2      TRP   3  -4.776  -0.855  -0.053
   27    H    GLY   4           HN       GLY   4  -6.359   4.036  -2.934
   28    HA2  GLY   4           HA2      GLY   4  -5.532   5.708  -4.665
   29    HA3  GLY   4           HA1      GLY   4  -6.167   6.888  -3.506
   30    H    THR   5           HN       THR   5  -5.567   4.379  -1.754
   31    HA   THR   5           HA       THR   5  -2.915   5.141  -0.892
   32    HB   THR   5           HB       THR   5  -5.361   4.117   0.398
   33    HG1  THR   5           HG1      THR   5  -3.937   5.432   2.107
   34   HG21  THR   5          HG21      THR   5  -3.482   2.375   0.717
   35   HG22  THR   5          HG22      THR   5  -4.354   2.943   2.143
   36   HG23  THR   5          HG23      THR   5  -2.749   3.579   1.776
   37    H    LEU   6           HN       LEU   6  -4.380   3.002  -2.837
   38    HA   LEU   6           HA       LEU   6  -2.960   0.627  -2.108
   39    HB2  LEU   6           HB1      LEU   6  -3.941  -0.361  -4.149
   40    HB3  LEU   6           HB2      LEU   6  -5.097   0.281  -3.015
   41    HG   LEU   6           HG       LEU   6  -4.382   1.494  -5.663
   42   HD11  LEU   6          HD11      LEU   6  -7.013   0.551  -4.616
   43   HD12  LEU   6          HD12      LEU   6  -5.903  -0.552  -5.452
   44   HD13  LEU   6          HD13      LEU   6  -6.556   0.856  -6.300
   45   HD21  LEU   6          HD21      LEU   6  -6.318   2.447  -3.591
   46   HD22  LEU   6          HD22      LEU   6  -6.125   3.109  -5.224
   47   HD23  LEU   6          HD23      LEU   6  -4.815   3.266  -4.053
   48    H    GLN   7           HN       GLN   7  -3.020   1.969  -5.308
   49    HA   GLN   7           HA       GLN   7  -0.771   1.326  -6.395
   50    HB2  GLN   7           HB1      GLN   7  -0.517   4.058  -6.743
   51    HB3  GLN   7           HB2      GLN   7  -1.477   2.979  -7.751
   52    HG2  GLN   7           HG1      GLN   7  -2.860   4.792  -7.108
   53    HG3  GLN   7           HG2      GLN   7  -3.361   3.382  -6.165
   54   HE21  GLN   7          HE21      GLN   7  -2.921   3.290  -4.000
   55   HE22  GLN   7          HE22      GLN   7  -2.446   4.656  -3.077
   56    H    THR   8           HN       THR   8  -0.919   3.317  -3.527
   57    HA   THR   8           HA       THR   8   1.963   3.698  -3.498
   58    HB   THR   8           HB       THR   8   0.599   5.655  -2.946
   59    HG1  THR   8           HG1      THR   8   1.776   6.198  -1.098
   60   HG21  THR   8          HG21      THR   8  -0.864   3.758  -1.488
   61   HG22  THR   8          HG22      THR   8  -1.175   5.496  -1.617
   62   HG23  THR   8          HG23      THR   8  -0.178   4.873  -0.299
   63    H    ILE   9           HN       ILE   9  -0.568   2.107  -1.746
   64    HA   ILE   9           HA       ILE   9   1.429   0.741  -0.125
   65    HB   ILE   9           HB       ILE   9  -1.485   1.050   0.533
   66   HG12  ILE   9          HG11      ILE   9  -0.283   3.175   0.751
   67   HG13  ILE   9          HG12      ILE   9  -0.724   2.548   2.334
   68   HG21  ILE   9          HG21      ILE   9   0.775  -0.157   2.119
   69   HG22  ILE   9          HG22      ILE   9  -0.582  -1.021   1.399
   70   HG23  ILE   9          HG23      ILE   9  -0.862   0.114   2.719
   71   HD11  ILE   9          HD11      ILE   9   1.997   2.372   1.064
   72   HD12  ILE   9          HD12      ILE   9   1.556   1.737   2.649
   73   HD13  ILE   9          HD13      ILE   9   1.513   3.475   2.352
   74    H    LEU  10           HN       LEU  10  -1.461   0.426  -1.926
   75    HA   LEU  10           HA       LEU  10  -2.585  -1.247  -2.926
   76    HB2  LEU  10           HB2      LEU  10  -0.566  -0.937  -4.293
   77    HB3  LEU  10           HB1      LEU  10   0.169  -2.293  -3.461
   78    HG   LEU  10           HG       LEU  10  -1.400  -3.827  -4.427
   79   HD11  LEU  10          HD11      LEU  10  -3.301  -2.056  -4.268
   80   HD12  LEU  10          HD12      LEU  10  -3.347  -3.264  -5.550
   81   HD13  LEU  10          HD13      LEU  10  -2.795  -1.627  -5.902
   82   HD21  LEU  10          HD21      LEU  10  -0.423  -1.796  -6.404
   83   HD22  LEU  10          HD22      LEU  10  -1.036  -3.389  -6.851
   84   HD23  LEU  10          HD23      LEU  10   0.426  -3.247  -5.870
   85    H    GLY  11           HN       GLY  11  -2.886  -3.592  -3.230
   86    HA2  GLY  11           HA1      GLY  11  -3.493  -4.855  -0.874
   87    HA3  GLY  11           HA2      GLY  11  -3.275  -5.654  -2.424
   88    H    GLY  12           HN       GLY  12  -0.416  -4.671  -2.463
   89    HA2  GLY  12           HA2      GLY  12   0.996  -5.689  -0.269
   90    HA3  GLY  12           HA1      GLY  12   0.780  -6.997  -1.421
   91    H    VAL  13           HN       VAL  13   1.195  -3.624  -2.367
   92    HA   VAL  13           HA       VAL  13   3.467  -4.353  -3.969
   93    HB   VAL  13           HB       VAL  13   1.665  -2.628  -4.578
   94   HG11  VAL  13          HG11      VAL  13   3.112  -1.277  -2.431
   95   HG12  VAL  13          HG12      VAL  13   1.476  -1.017  -3.027
   96   HG13  VAL  13          HG13      VAL  13   2.849  -0.295  -3.868
   97   HG21  VAL  13          HG21      VAL  13   3.251  -1.331  -5.918
   98   HG22  VAL  13          HG22      VAL  13   3.638  -3.050  -5.942
   99   HG23  VAL  13          HG23      VAL  13   4.582  -1.949  -4.940
  100    H    ASN  14           HN       ASN  14   3.424  -4.184  -0.876
  101    HA   ASN  14           HA       ASN  14   5.498  -2.250  -0.338
  102    HB2  ASN  14           HB1      ASN  14   4.273  -4.367   1.439
  103    HB3  ASN  14           HB2      ASN  14   5.382  -3.109   1.974
  104   HD21  ASN  14          HD21      ASN  14   4.226  -1.106   0.199
  105   HD22  ASN  14          HD22      ASN  14   2.720  -0.650   0.912
  106    H    LYS  15           HN       LYS  15   7.192  -2.981  -1.672
  107    HA   LYS  15           HA       LYS  15   8.611  -5.317  -0.585
  108    HB2  LYS  15           HB1      LYS  15   8.303  -4.554  -3.493
  109    HB3  LYS  15           HB2      LYS  15   9.483  -5.723  -2.913
  110    HG2  LYS  15           HG1      LYS  15   7.763  -7.085  -3.586
  111    HG3  LYS  15           HG2      LYS  15   7.413  -6.897  -1.868
  112    HD2  LYS  15           HD2      LYS  15   5.365  -6.629  -3.070
  113    HD3  LYS  15           HD1      LYS  15   5.850  -5.044  -2.466
  114    HE2  LYS  15           HE1      LYS  15   5.050  -4.906  -4.767
  115    HE3  LYS  15           HE2      LYS  15   6.756  -4.472  -4.654
  116    HZ1  LYS  15           HZ1      LYS  15   7.334  -6.689  -5.422
  117    HZ2  LYS  15           HZ2      LYS  15   6.336  -5.911  -6.544
  118    HZ3  LYS  15           HZ3      LYS  15   5.697  -7.105  -5.531
  119    H    HIS  16           HN       HIS  16   8.612  -2.061  -1.100
  120    HA   HIS  16           HA       HIS  16  11.557  -1.944  -1.083
  121    HB2  HIS  16           HB1      HIS  16  11.411   0.232  -2.197
  122    HB3  HIS  16           HB2      HIS  16  10.637  -1.016  -3.166
  123    HD1  HIS  16           HD1      HIS  16   8.038  -0.922  -3.368
  124    HD2  HIS  16           HD2      HIS  16   9.730   2.254  -1.289
  125    HE1  HIS  16           HE1      HIS  16   6.226   0.814  -3.201
  126    HE2  HIS  16           HE2      HIS  16   7.272   2.727  -1.938
  127    H    SER  17           HN       SER  17   8.578  -0.963   0.362
  128    HA   SER  17           HA       SER  17   8.072   0.059   2.324
  129    HB2  SER  17           HB2      SER  17   9.771  -1.411   3.310
  130    HB3  SER  17           HB1      SER  17  11.031  -0.248   2.896
  131    HG   SER  17           HG       SER  17   9.575  -0.320   5.082
  132    H    THR  18           HN       THR  18   7.883   2.123   3.143
  133    HA   THR  18           HA       THR  18   8.012   4.394   3.194
  134    HB   THR  18           HB       THR  18  10.836   4.021   2.179
  135    HG1  THR  18           HG1      THR  18   9.666   3.592   4.623
  136   HG21  THR  18          HG21      THR  18   9.517   6.352   3.575
  137   HG22  THR  18          HG22      THR  18  10.026   6.304   1.887
  138   HG23  THR  18          HG23      THR  18  11.230   6.234   3.174
  139    H    SER  19           HN       SER  19   6.941   5.647   1.833
  140    HA   SER  19           HA       SER  19   6.622   5.143  -0.877
  141    HB2  SER  19           HB2      SER  19   5.684   7.437  -1.023
  142    HB3  SER  19           HB1      SER  19   5.032   6.520   0.335
  143    HG   SER  19           HG       SER  19   5.623   8.225   1.425
  144    H    ILE  20           HN       ILE  20   7.499   5.991  -2.742
  145    HA   ILE  20           HA       ILE  20   9.796   7.780  -2.503
  146    HB   ILE  20           HB       ILE  20  11.123   6.320  -3.996
  147   HG12  ILE  20          HG12      ILE  20   8.895   4.343  -3.457
  148   HG13  ILE  20          HG11      ILE  20   9.282   5.070  -5.013
  149   HG21  ILE  20          HG21      ILE  20  10.247   5.227  -1.331
  150   HG22  ILE  20          HG22      ILE  20  11.646   6.244  -1.683
  151   HG23  ILE  20          HG23      ILE  20  11.611   4.572  -2.241
  152   HD11  ILE  20          HD11      ILE  20  10.979   3.138  -3.458
  153   HD12  ILE  20          HD12      ILE  20  11.482   3.946  -4.942
  154   HD13  ILE  20          HD13      ILE  20  10.115   2.831  -4.965
  155    H    GLY  21           HN       GLY  21   6.967   7.714  -3.659
  156    HA2  GLY  21           HA1      GLY  21   7.026   9.501  -5.620
  157    HA3  GLY  21           HA2      GLY  21   7.492   8.057  -6.508
  158    H    LYS  22           HN       LYS  22   5.983   6.234  -6.480
  159    HA   LYS  22           HA       LYS  22   3.240   7.207  -6.657
  160    HB2  LYS  22           HB1      LYS  22   4.433   4.554  -7.489
  161    HB3  LYS  22           HB2      LYS  22   2.787   5.083  -7.813
  162    HG2  LYS  22           HG2      LYS  22   5.274   6.432  -8.844
  163    HG3  LYS  22           HG1      LYS  22   4.260   5.317  -9.761
  164    HD2  LYS  22           HD1      LYS  22   2.362   6.843  -9.516
  165    HD3  LYS  22           HD2      LYS  22   3.376   7.958  -8.599
  166    HE2  LYS  22           HE1      LYS  22   4.841   8.219 -10.545
  167    HE3  LYS  22           HE2      LYS  22   3.817   7.113 -11.461
  168    HZ1  LYS  22           HZ1      LYS  22   1.983   8.666 -11.222
  169    HZ2  LYS  22           HZ2      LYS  22   3.304   9.418 -11.965
  170    HZ3  LYS  22           HZ3      LYS  22   2.962   9.726 -10.337
  Start of MODEL   14
    1    H1   ACE   0           HA1      ACE   0 -13.913  -0.349  -1.582
    2    H2   ACE   0           HA2      ACE   0 -14.624   1.261  -1.497
    3    H3   ACE   0           HA3      ACE   0 -15.148   0.035  -0.345
    4    H    MET   1           HN       MET   1 -11.837   0.573  -1.384
    5    HA   MET   1           HA       MET   1 -11.067   1.002   1.383
    6    HB2  MET   1           HB1      MET   1  -9.820  -0.619   0.004
    7    HB3  MET   1           HB2      MET   1  -9.329   0.707  -1.051
    8    HG2  MET   1           HG2      MET   1  -7.631   1.202   0.277
    9    HG3  MET   1           HG1      MET   1  -8.717   1.373   1.660
   10    HE1  MET   1           HE1      MET   1  -5.915  -0.898   3.148
   11    HE2  MET   1           HE2      MET   1  -6.855   0.581   3.350
   12    HE3  MET   1           HE3      MET   1  -5.721   0.434   2.008
   13    H    ASP   2           HN       ASP   2 -12.291   3.031  -0.676
   14    HA   ASP   2           HA       ASP   2 -12.114   5.309  -0.975
   15    HB2  ASP   2           HB2      ASP   2 -10.687   4.734   1.560
   16    HB3  ASP   2           HB1      ASP   2 -10.290   6.246   0.787
   17    H    TRP   3           HN       TRP   3 -10.302   3.130  -1.857
   18    HA   TRP   3           HA       TRP   3  -7.824   3.340  -2.115
   19    HB2  TRP   3           HB1      TRP   3  -9.848   2.665  -4.038
   20    HB3  TRP   3           HB2      TRP   3  -8.224   2.896  -4.665
   21    HD1  TRP   3           HD1      TRP   3  -9.884   0.200  -4.219
   22    HE1  TRP   3           HE1      TRP   3  -8.707  -1.806  -3.102
   23    HE3  TRP   3           HE3      TRP   3  -6.356   2.767  -1.729
   24    HZ2  TRP   3           HZ2      TRP   3  -6.514  -2.161  -1.333
   25    HZ3  TRP   3           HZ3      TRP   3  -4.767   1.561  -0.323
   26    HH2  TRP   3           HH2      TRP   3  -4.840  -0.849  -0.130
   27    H    GLY   4           HN       GLY   4  -6.420   3.982  -3.097
   28    HA2  GLY   4           HA2      GLY   4  -5.545   5.675  -4.783
   29    HA3  GLY   4           HA1      GLY   4  -6.277   6.839  -3.664
   30    H    THR   5           HN       THR   5  -5.697   4.342  -1.879
   31    HA   THR   5           HA       THR   5  -3.122   5.185  -0.875
   32    HB   THR   5           HB       THR   5  -5.602   4.091   0.284
   33    HG1  THR   5           HG1      THR   5  -5.177   6.169   0.809
   34   HG21  THR   5          HG21      THR   5  -3.682   2.407   0.702
   35   HG22  THR   5          HG22      THR   5  -4.661   2.934   2.073
   36   HG23  THR   5          HG23      THR   5  -3.060   3.630   1.810
   37    H    LEU   6           HN       LEU   6  -4.416   3.004  -2.892
   38    HA   LEU   6           HA       LEU   6  -2.960   0.675  -2.090
   39    HB2  LEU   6           HB1      LEU   6  -3.807  -0.344  -4.171
   40    HB3  LEU   6           HB2      LEU   6  -5.040   0.267  -3.102
   41    HG   LEU   6           HG       LEU   6  -4.222   1.491  -5.715
   42   HD11  LEU   6          HD11      LEU   6  -6.877   0.481  -4.800
   43   HD12  LEU   6          HD12      LEU   6  -5.695  -0.594  -5.574
   44   HD13  LEU   6          HD13      LEU   6  -6.343   0.793  -6.460
   45   HD21  LEU   6          HD21      LEU   6  -6.288   2.398  -3.753
   46   HD22  LEU   6          HD22      LEU   6  -6.023   3.062  -5.375
   47   HD23  LEU   6          HD23      LEU   6  -4.785   3.256  -4.135
   48    H    GLN   7           HN       GLN   7  -2.903   2.012  -5.291
   49    HA   GLN   7           HA       GLN   7  -0.580   1.448  -6.261
   50    HB2  GLN   7           HB1      GLN   7  -0.405   4.184  -6.606
   51    HB3  GLN   7           HB2      GLN   7  -1.277   3.071  -7.657
   52    HG2  GLN   7           HG1      GLN   7  -2.752   4.837  -7.089
   53    HG3  GLN   7           HG2      GLN   7  -3.250   3.412  -6.167
   54   HE21  GLN   7          HE21      GLN   7  -2.914   3.340  -3.983
   55   HE22  GLN   7          HE22      GLN   7  -2.531   4.723  -3.042
   56    H    THR   8           HN       THR   8  -0.943   3.436  -3.411
   57    HA   THR   8           HA       THR   8   1.918   3.923  -3.240
   58    HB   THR   8           HB       THR   8   0.452   5.827  -2.764
   59    HG1  THR   8           HG1      THR   8   2.376   4.846  -1.110
   60   HG21  THR   8          HG21      THR   8  -1.007   3.882  -1.374
   61   HG22  THR   8          HG22      THR   8  -1.370   5.609  -1.510
   62   HG23  THR   8          HG23      THR   8  -0.413   5.013  -0.152
   63    H    ILE   9           HN       ILE   9  -0.637   2.241  -1.611
   64    HA   ILE   9           HA       ILE   9   1.326   0.953   0.110
   65    HB   ILE   9           HB       ILE   9  -1.626   1.147   0.629
   66   HG12  ILE   9          HG11      ILE   9  -0.530   3.324   0.886
   67   HG13  ILE   9          HG12      ILE   9  -1.012   2.685   2.453
   68   HG21  ILE   9          HG21      ILE   9  -0.604  -0.883   1.530
   69   HG22  ILE   9          HG22      ILE   9  -1.116   0.211   2.814
   70   HG23  ILE   9          HG23      ILE   9   0.589   0.096   2.380
   71   HD11  ILE   9          HD11      ILE   9   1.178   3.711   2.565
   72   HD12  ILE   9          HD12      ILE   9   1.767   2.628   1.304
   73   HD13  ILE   9          HD13      ILE   9   1.286   1.978   2.872
   74    H    LEU  10           HN       LEU  10  -1.460   0.531  -1.828
   75    HA   LEU  10           HA       LEU  10  -2.475  -1.189  -2.869
   76    HB2  LEU  10           HB2      LEU  10  -0.402  -0.787  -4.141
   77    HB3  LEU  10           HB1      LEU  10   0.338  -2.127  -3.290
   78    HG   LEU  10           HG       LEU  10  -1.133  -3.701  -4.340
   79   HD11  LEU  10          HD11      LEU  10  -3.111  -2.022  -4.246
   80   HD12  LEU  10          HD12      LEU  10  -3.040  -3.188  -5.565
   81   HD13  LEU  10          HD13      LEU  10  -2.540  -1.519  -5.835
   82   HD21  LEU  10          HD21      LEU  10  -0.143  -1.614  -6.251
   83   HD22  LEU  10          HD22      LEU  10  -0.680  -3.222  -6.740
   84   HD23  LEU  10          HD23      LEU  10   0.732  -3.040  -5.695
   85    H    GLY  11           HN       GLY  11  -2.612  -3.567  -3.201
   86    HA2  GLY  11           HA1      GLY  11  -3.279  -4.859  -0.873
   87    HA3  GLY  11           HA2      GLY  11  -2.941  -5.643  -2.408
   88    H    GLY  12           HN       GLY  12  -0.145  -4.486  -2.289
   89    HA2  GLY  12           HA2      GLY  12   1.244  -5.380  -0.050
   90    HA3  GLY  12           HA1      GLY  12   1.112  -6.750  -1.140
   91    H    VAL  13           HN       VAL  13   1.351  -3.468  -2.337
   92    HA   VAL  13           HA       VAL  13   3.568  -4.081  -3.966
   93    HB   VAL  13           HB       VAL  13   1.875  -2.255  -4.388
   94   HG11  VAL  13          HG11      VAL  13   2.907  -1.356  -1.939
   95   HG12  VAL  13          HG12      VAL  13   1.667  -0.595  -2.935
   96   HG13  VAL  13          HG13      VAL  13   3.365  -0.163  -3.152
   97   HG21  VAL  13          HG21      VAL  13   3.484  -0.796  -5.511
   98   HG22  VAL  13          HG22      VAL  13   3.895  -2.496  -5.738
   99   HG23  VAL  13          HG23      VAL  13   4.795  -1.519  -4.578
  100    H    ASN  14           HN       ASN  14   5.691  -3.115  -3.930
  101    HA   ASN  14           HA       ASN  14   7.682  -2.586  -2.982
  102    HB2  ASN  14           HB1      ASN  14   5.994  -1.499  -0.723
  103    HB3  ASN  14           HB2      ASN  14   7.716  -1.207  -0.942
  104   HD21  ASN  14          HD21      ASN  14   5.491   0.674  -0.848
  105   HD22  ASN  14          HD22      ASN  14   5.547   1.553  -2.334
  106    H    LYS  15           HN       LYS  15   5.585  -4.811  -1.727
  107    HA   LYS  15           HA       LYS  15   5.760  -6.600  -0.335
  108    HB2  LYS  15           HB1      LYS  15   8.700  -6.247  -0.945
  109    HB3  LYS  15           HB2      LYS  15   7.973  -7.690  -0.252
  110    HG2  LYS  15           HG2      LYS  15   7.330  -6.559  -2.969
  111    HG3  LYS  15           HG1      LYS  15   8.419  -7.912  -2.655
  112    HD2  LYS  15           HD2      LYS  15   5.496  -7.850  -1.909
  113    HD3  LYS  15           HD1      LYS  15   6.149  -8.622  -3.355
  114    HE2  LYS  15           HE2      LYS  15   7.505 -10.099  -1.952
  115    HE3  LYS  15           HE1      LYS  15   6.846  -9.331  -0.508
  116    HZ1  LYS  15           HZ1      LYS  15   5.711 -11.402  -1.000
  117    HZ2  LYS  15           HZ2      LYS  15   5.279 -10.835  -2.533
  118    HZ3  LYS  15           HZ3      LYS  15   4.645 -10.096  -1.150
  119    H    HIS  16           HN       HIS  16   5.059  -5.737   1.598
  120    HA   HIS  16           HA       HIS  16   7.103  -5.466   3.635
  121    HB2  HIS  16           HB1      HIS  16   6.258  -3.318   4.475
  122    HB3  HIS  16           HB2      HIS  16   6.876  -3.161   2.834
  123    HD1  HIS  16           HD1      HIS  16   5.228  -2.485   1.010
  124    HD2  HIS  16           HD2      HIS  16   3.444  -3.058   4.719
  125    HE1  HIS  16           HE1      HIS  16   2.897  -1.571   0.784
  126    HE2  HIS  16           HE2      HIS  16   1.835  -1.928   3.040
  127    H    SER  17           HN       SER  17   5.960  -5.023   5.837
  128    HA   SER  17           HA       SER  17   3.718  -6.903   5.982
  129    HB2  SER  17           HB1      SER  17   5.531  -5.840   8.163
  130    HB3  SER  17           HB2      SER  17   4.257  -7.038   8.391
  131    HG   SER  17           HG       SER  17   6.394  -7.929   8.100
  132    H    THR  18           HN       THR  18   4.699  -3.896   7.638
  133    HA   THR  18           HA       THR  18   1.915  -2.981   7.471
  134    HB   THR  18           HB       THR  18   2.037  -2.093   9.767
  135    HG1  THR  18           HG1      THR  18   3.795  -2.957  11.092
  136   HG21  THR  18          HG21      THR  18   1.009  -4.280   9.394
  137   HG22  THR  18          HG22      THR  18   1.830  -4.230  10.954
  138   HG23  THR  18          HG23      THR  18   2.579  -5.060   9.589
  139    H    SER  19           HN       SER  19   2.279  -0.599   8.908
  140    HA   SER  19           HA       SER  19   3.089   1.178   6.984
  141    HB2  SER  19           HB1      SER  19   3.220   1.556   9.983
  142    HB3  SER  19           HB2      SER  19   3.299   2.853   8.792
  143    HG   SER  19           HG       SER  19   1.169   1.380   8.239
  144    H    ILE  20           HN       ILE  20   4.946   2.365   6.557
  145    HA   ILE  20           HA       ILE  20   7.417   1.460   7.852
  146    HB   ILE  20           HB       ILE  20   8.537   1.348   5.686
  147   HG12  ILE  20          HG12      ILE  20   5.779   1.800   4.521
  148   HG13  ILE  20          HG11      ILE  20   7.097   2.967   4.495
  149   HG21  ILE  20          HG21      ILE  20   6.071  -0.351   6.006
  150   HG22  ILE  20          HG22      ILE  20   7.718  -0.717   6.527
  151   HG23  ILE  20          HG23      ILE  20   7.326  -0.680   4.808
  152   HD11  ILE  20          HD11      ILE  20   6.883   1.866   2.356
  153   HD12  ILE  20          HD12      ILE  20   7.076   0.290   3.123
  154   HD13  ILE  20          HD13      ILE  20   8.416   1.438   3.116
  155    H    GLY  21           HN       GLY  21   9.312   2.898   6.869
  156    HA2  GLY  21           HA2      GLY  21   8.605   5.585   6.171
  157    HA3  GLY  21           HA1      GLY  21   9.070   5.446   7.860
  158    H    LYS  22           HN       LYS  22  10.251   4.229   4.719
  159    HA   LYS  22           HA       LYS  22  12.990   4.708   5.635
  160    HB2  LYS  22           HB2      LYS  22  11.852   3.108   3.347
  161    HB3  LYS  22           HB1      LYS  22  13.570   3.443   3.497
  162    HG2  LYS  22           HG1      LYS  22  13.227   1.292   4.394
  163    HG3  LYS  22           HG2      LYS  22  13.472   2.368   5.770
  164    HD2  LYS  22           HD2      LYS  22  11.059   2.476   6.126
  165    HD3  LYS  22           HD1      LYS  22  10.801   1.420   4.737
  166    HE2  LYS  22           HE1      LYS  22  12.066  -0.354   5.861
  167    HE3  LYS  22           HE2      LYS  22  12.299   0.703   7.254
  168    HZ1  LYS  22           HZ1      LYS  22   9.684  -0.268   6.233
  169    HZ2  LYS  22           HZ2      LYS  22   9.899   0.757   7.562
  170    HZ3  LYS  22           HZ3      LYS  22  10.478  -0.832   7.617
  Start of MODEL   15
    1    H1   ACE   0           HA1      ACE   0 -14.065   2.458   0.862
    2    H2   ACE   0           HA2      ACE   0 -14.226   0.874   1.617
    3    H3   ACE   0           HA3      ACE   0 -13.457   0.992   0.036
    4    H    MET   1           HN       MET   1 -11.634   2.789   0.113
    5    HA   MET   1           HA       MET   1 -10.084   2.602   2.565
    6    HB2  MET   1           HB1      MET   1  -9.425   0.640   1.224
    7    HB3  MET   1           HB2      MET   1  -8.973   1.725  -0.089
    8    HG2  MET   1           HG1      MET   1  -7.173   0.795   1.542
    9    HG3  MET   1           HG2      MET   1  -7.084   2.466   0.970
   10    HE1  MET   1           HE1      MET   1  -8.571   1.171   5.158
   11    HE2  MET   1           HE2      MET   1  -7.926   0.058   3.951
   12    HE3  MET   1           HE3      MET   1  -9.479   0.849   3.681
   13    H    ASP   2           HN       ASP   2 -11.376   4.567   0.452
   14    HA   ASP   2           HA       ASP   2 -10.914   6.727  -0.201
   15    HB2  ASP   2           HB2      ASP   2  -9.192   6.223   2.158
   16    HB3  ASP   2           HB1      ASP   2  -8.716   7.552   1.135
   17    H    TRP   3           HN       TRP   3  -9.602   4.195  -1.026
   18    HA   TRP   3           HA       TRP   3  -7.195   3.967  -1.656
   19    HB2  TRP   3           HB1      TRP   3  -9.577   3.419  -3.165
   20    HB3  TRP   3           HB2      TRP   3  -8.059   3.310  -4.040
   21    HD1  TRP   3           HD1      TRP   3  -9.996   0.990  -2.999
   22    HE1  TRP   3           HE1      TRP   3  -8.957  -1.044  -1.799
   23    HE3  TRP   3           HE3      TRP   3  -5.781   3.210  -1.405
   24    HZ2  TRP   3           HZ2      TRP   3  -6.584  -1.550  -0.321
   25    HZ3  TRP   3           HZ3      TRP   3  -4.181   1.928  -0.083
   26    HH2  TRP   3           HH2      TRP   3  -4.567  -0.398   0.444
   27    H    GLY   4           HN       GLY   4  -5.887   4.258  -2.901
   28    HA2  GLY   4           HA2      GLY   4  -5.060   5.584  -4.909
   29    HA3  GLY   4           HA1      GLY   4  -5.429   6.970  -3.869
   30    H    THR   5           HN       THR   5  -4.935   4.630  -1.859
   31    HA   THR   5           HA       THR   5  -2.136   5.153  -1.352
   32    HB   THR   5           HB       THR   5  -4.531   4.626   0.286
   33    HG1  THR   5           HG1      THR   5  -3.832   6.594   0.691
   34   HG21  THR   5          HG21      THR   5  -2.848   2.702   0.656
   35   HG22  THR   5          HG22      THR   5  -3.494   3.542   2.067
   36   HG23  THR   5          HG23      THR   5  -1.872   3.917   1.481
   37    H    LEU   6           HN       LEU   6  -4.041   2.991  -2.842
   38    HA   LEU   6           HA       LEU   6  -2.829   0.557  -1.944
   39    HB2  LEU   6           HB1      LEU   6  -4.135  -0.528  -3.736
   40    HB3  LEU   6           HB2      LEU   6  -5.080   0.388  -2.595
   41    HG   LEU   6           HG       LEU   6  -4.519   1.170  -5.435
   42   HD11  LEU   6          HD11      LEU   6  -7.113   0.711  -4.035
   43   HD12  LEU   6          HD12      LEU   6  -6.237  -0.620  -4.815
   44   HD13  LEU   6          HD13      LEU   6  -6.809   0.747  -5.779
   45   HD21  LEU   6          HD21      LEU   6  -6.099   2.611  -3.344
   46   HD22  LEU   6          HD22      LEU   6  -5.998   3.041  -5.060
   47   HD23  LEU   6          HD23      LEU   6  -4.565   3.165  -4.040
   48    H    GLN   7           HN       GLN   7  -3.096   1.424  -5.296
   49    HA   GLN   7           HA       GLN   7  -1.078   0.425  -6.544
   50    HB2  GLN   7           HB1      GLN   7  -0.528   3.083  -7.143
   51    HB3  GLN   7           HB2      GLN   7  -1.687   2.043  -7.971
   52    HG2  GLN   7           HG1      GLN   7  -2.873   3.977  -7.393
   53    HG3  GLN   7           HG2      GLN   7  -3.322   2.760  -6.190
   54   HE21  GLN   7          HE21      GLN   7  -2.638   2.942  -4.123
   55   HE22  GLN   7          HE22      GLN   7  -1.946   4.369  -3.471
   56    H    THR   8           HN       THR   8  -0.627   2.727  -3.936
   57    HA   THR   8           HA       THR   8   2.273   2.669  -4.212
   58    HB   THR   8           HB       THR   8   1.352   4.874  -3.924
   59    HG1  THR   8           HG1      THR   8   2.561   4.005  -1.488
   60   HG21  THR   8          HG21      THR   8  -0.344   3.466  -2.087
   61   HG22  THR   8          HG22      THR   8  -0.523   5.103  -2.746
   62   HG23  THR   8          HG23      THR   8   0.416   4.844  -1.273
   63    H    ILE   9           HN       ILE   9  -0.255   1.889  -1.964
   64    HA   ILE   9           HA       ILE   9   1.630   0.315  -0.389
   65    HB   ILE   9           HB       ILE   9  -0.740   1.691   0.818
   66   HG12  ILE   9          HG11      ILE   9   0.818   3.391  -0.048
   67   HG13  ILE   9          HG12      ILE   9   0.790   3.383   1.711
   68   HG21  ILE   9          HG21      ILE   9   1.687   0.359   2.008
   69   HG22  ILE   9          HG22      ILE   9   0.014  -0.191   2.101
   70   HG23  ILE   9          HG23      ILE   9   0.506   1.281   2.938
   71   HD11  ILE   9          HD11      ILE   9   3.049   3.626   0.683
   72   HD12  ILE   9          HD12      ILE   9   2.887   1.977   0.084
   73   HD13  ILE   9          HD13      ILE   9   2.891   2.289   1.819
   74    H    LEU  10           HN       LEU  10  -0.050  -0.343  -2.565
   75    HA   LEU  10           HA       LEU  10  -2.444  -1.438  -2.334
   76    HB2  LEU  10           HB2      LEU  10  -1.027  -1.541  -4.307
   77    HB3  LEU  10           HB1      LEU  10  -0.124  -2.852  -3.590
   78    HG   LEU  10           HG       LEU  10  -1.992  -4.338  -3.756
   79   HD11  LEU  10          HD11      LEU  10  -3.586  -2.175  -3.391
   80   HD12  LEU  10          HD12      LEU  10  -4.156  -3.738  -3.969
   81   HD13  LEU  10          HD13      LEU  10  -3.792  -2.451  -5.119
   82   HD21  LEU  10          HD21      LEU  10  -1.628  -2.649  -6.204
   83   HD22  LEU  10          HD22      LEU  10  -2.452  -4.210  -6.206
   84   HD23  LEU  10          HD23      LEU  10  -0.741  -4.114  -5.781
   85    H    GLY  11           HN       GLY  11  -3.332  -3.445  -1.978
   86    HA2  GLY  11           HA1      GLY  11  -2.922  -4.544   0.518
   87    HA3  GLY  11           HA2      GLY  11  -3.812  -5.280  -0.802
   88    H    GLY  12           HN       GLY  12  -1.204  -5.197  -2.406
   89    HA2  GLY  12           HA1      GLY  12   0.094  -7.483  -1.059
   90    HA3  GLY  12           HA2      GLY  12  -0.327  -7.546  -2.762
   91    H    VAL  13           HN       VAL  13   0.476  -4.622  -2.992
   92    HA   VAL  13           HA       VAL  13   3.017  -4.994  -4.027
   93    HB   VAL  13           HB       VAL  13   1.385  -3.003  -4.331
   94   HG11  VAL  13          HG11      VAL  13   2.012  -2.589  -1.728
   95   HG12  VAL  13          HG12      VAL  13   1.348  -1.365  -2.811
   96   HG13  VAL  13          HG13      VAL  13   3.088  -1.450  -2.533
   97   HG21  VAL  13          HG21      VAL  13   3.223  -1.581  -5.101
   98   HG22  VAL  13          HG22      VAL  13   3.483  -3.265  -5.555
   99   HG23  VAL  13          HG23      VAL  13   4.370  -2.570  -4.199
  100    H    ASN  14           HN       ASN  14   5.083  -4.099  -3.341
  101    HA   ASN  14           HA       ASN  14   5.390  -4.147  -0.411
  102    HB2  ASN  14           HB1      ASN  14   7.676  -5.104  -0.833
  103    HB3  ASN  14           HB2      ASN  14   6.346  -6.172  -1.268
  104   HD21  ASN  14          HD21      ASN  14   8.950  -4.827  -4.054
  105   HD22  ASN  14          HD22      ASN  14   8.984  -4.267  -2.420
  106    H    LYS  15           HN       LYS  15   5.749  -2.128   0.223
  107    HA   LYS  15           HA       LYS  15   7.912  -0.630  -1.061
  108    HB2  LYS  15           HB1      LYS  15   5.165   0.489  -0.477
  109    HB3  LYS  15           HB2      LYS  15   6.560   1.458  -0.932
  110    HG2  LYS  15           HG2      LYS  15   5.360  -0.715  -2.637
  111    HG3  LYS  15           HG1      LYS  15   5.011   1.007  -2.804
  112    HD2  LYS  15           HD1      LYS  15   7.764  -0.205  -3.032
  113    HD3  LYS  15           HD2      LYS  15   6.721   0.168  -4.405
  114    HE2  LYS  15           HE2      LYS  15   6.701   2.527  -3.743
  115    HE3  LYS  15           HE1      LYS  15   7.755   2.149  -2.381
  116    HZ1  LYS  15           HZ1      LYS  15   8.444   1.788  -5.247
  117    HZ2  LYS  15           HZ2      LYS  15   9.456   1.436  -3.939
  118    HZ3  LYS  15           HZ3      LYS  15   9.003   3.035  -4.249
  119    H    HIS  16           HN       HIS  16   6.323  -1.716   1.693
  120    HA   HIS  16           HA       HIS  16   6.938   0.303   3.559
  121    HB2  HIS  16           HB2      HIS  16   6.627  -2.674   3.992
  122    HB3  HIS  16           HB1      HIS  16   6.615  -1.455   5.262
  123    HD1  HIS  16           HD1      HIS  16   4.495  -2.971   2.614
  124    HD2  HIS  16           HD2      HIS  16   4.269   0.122   5.380
  125    HE1  HIS  16           HE1      HIS  16   2.069  -2.313   2.689
  126    HE2  HIS  16           HE2      HIS  16   1.954  -0.437   4.369
  127    H    SER  17           HN       SER  17   8.518  -2.885   3.354
  128    HA   SER  17           HA       SER  17  11.142  -1.673   3.429
  129    HB2  SER  17           HB1      SER  17  10.177  -3.392   5.727
  130    HB3  SER  17           HB2      SER  17  11.839  -2.852   5.488
  131    HG   SER  17           HG       SER  17   9.571  -1.194   5.895
  132    H    THR  18           HN       THR  18   9.973  -4.857   4.488
  133    HA   THR  18           HA       THR  18  11.033  -6.061   2.043
  134    HB   THR  18           HB       THR  18  12.166  -7.848   3.373
  135    HG1  THR  18           HG1      THR  18  12.428  -7.592   5.544
  136   HG21  THR  18          HG21      THR  18  13.196  -5.043   3.801
  137   HG22  THR  18          HG22      THR  18  13.468  -6.042   2.375
  138   HG23  THR  18          HG23      THR  18  14.155  -6.517   3.928
  139    H    SER  19           HN       SER  19   9.835  -7.197   5.209
  140    HA   SER  19           HA       SER  19   8.110  -9.103   3.862
  141    HB2  SER  19           HB2      SER  19   7.580  -9.876   6.163
  142    HB3  SER  19           HB1      SER  19   9.310  -9.883   5.824
  143    HG   SER  19           HG       SER  19   9.437  -7.871   6.932
  144    H    ILE  20           HN       ILE  20   5.855  -9.202   4.115
  145    HA   ILE  20           HA       ILE  20   4.540  -6.849   5.250
  146    HB   ILE  20           HB       ILE  20   3.098  -6.647   3.271
  147   HG12  ILE  20          HG12      ILE  20   5.017  -8.622   2.017
  148   HG13  ILE  20          HG11      ILE  20   3.346  -8.966   2.453
  149   HG21  ILE  20          HG21      ILE  20   6.061  -6.370   2.818
  150   HG22  ILE  20          HG22      ILE  20   4.945  -5.145   3.426
  151   HG23  ILE  20          HG23      ILE  20   4.838  -5.681   1.749
  152   HD11  ILE  20          HD11      ILE  20   2.605  -7.261   0.843
  153   HD12  ILE  20          HD12      ILE  20   3.510  -8.574   0.089
  154   HD13  ILE  20          HD13      ILE  20   4.286  -7.014   0.367
  155    H    GLY  21           HN       GLY  21   4.826  -9.845   5.772
  156    HA2  GLY  21           HA1      GLY  21   2.123 -10.254   6.630
  157    HA3  GLY  21           HA2      GLY  21   2.547 -11.289   5.274
  158    H    LYS  22           HN       LYS  22   4.710 -12.472   5.588
  159    HA   LYS  22           HA       LYS  22   4.722 -13.566   8.316
  160    HB2  LYS  22           HB1      LYS  22   5.837 -15.564   7.206
  161    HB3  LYS  22           HB2      LYS  22   4.143 -15.299   6.825
  162    HG2  LYS  22           HG1      LYS  22   6.258 -14.193   5.031
  163    HG3  LYS  22           HG2      LYS  22   5.824 -15.901   4.942
  164    HD2  LYS  22           HD2      LYS  22   3.847 -13.635   4.713
  165    HD3  LYS  22           HD1      LYS  22   4.589 -14.449   3.334
  166    HE2  LYS  22           HE2      LYS  22   2.871 -15.747   5.447
  167    HE3  LYS  22           HE1      LYS  22   2.367 -15.346   3.806
  168    HZ1  LYS  22           HZ1      LYS  22   4.515 -17.264   4.531
  169    HZ2  LYS  22           HZ2      LYS  22   4.025 -16.883   2.957
  170    HZ3  LYS  22           HZ3      LYS  22   2.960 -17.677   4.005
  Start of MODEL   16
    1    H1   ACE   0           HA1      ACE   0 -14.881   0.744  -0.498
    2    H2   ACE   0           HA2      ACE   0 -14.618  -0.989  -0.328
    3    H3   ACE   0           HA3      ACE   0 -13.833  -0.134  -1.653
    4    H    MET   1           HN       MET   1 -12.165   1.368  -1.171
    5    HA   MET   1           HA       MET   1 -11.000   1.142   1.502
    6    HB2  MET   1           HB1      MET   1  -9.904  -0.523   0.048
    7    HB3  MET   1           HB2      MET   1  -9.437   0.781  -1.043
    8    HG2  MET   1           HG1      MET   1  -7.761  -0.143   0.724
    9    HG3  MET   1           HG2      MET   1  -7.826   1.588   0.364
   10    HE1  MET   1           HE1      MET   1  -6.526   2.081   2.640
   11    HE2  MET   1           HE2      MET   1  -6.459   0.352   2.983
   12    HE3  MET   1           HE3      MET   1  -7.036   1.474   4.215
   13    H    ASP   2           HN       ASP   2 -12.270   3.200  -0.538
   14    HA   ASP   2           HA       ASP   2 -12.036   5.470  -0.858
   15    HB2  ASP   2           HB2      ASP   2 -10.583   4.867   1.656
   16    HB3  ASP   2           HB1      ASP   2 -10.174   6.373   0.877
   17    H    TRP   3           HN       TRP   3 -10.282   3.256  -1.769
   18    HA   TRP   3           HA       TRP   3  -7.803   3.417  -2.058
   19    HB2  TRP   3           HB1      TRP   3  -9.864   2.787  -3.958
   20    HB3  TRP   3           HB2      TRP   3  -8.244   2.984  -4.603
   21    HD1  TRP   3           HD1      TRP   3  -9.954   0.326  -4.139
   22    HE1  TRP   3           HE1      TRP   3  -8.807  -1.709  -3.042
   23    HE3  TRP   3           HE3      TRP   3  -6.345   2.811  -1.685
   24    HZ2  TRP   3           HZ2      TRP   3  -6.604  -2.114  -1.295
   25    HZ3  TRP   3           HZ3      TRP   3  -4.768   1.569  -0.296
   26    HH2  TRP   3           HH2      TRP   3  -4.891  -0.839  -0.107
   27    H    GLY   4           HN       GLY   4  -6.399   4.036  -3.055
   28    HA2  GLY   4           HA2      GLY   4  -5.516   5.715  -4.750
   29    HA3  GLY   4           HA1      GLY   4  -6.212   6.890  -3.621
   30    H    THR   5           HN       THR   5  -5.661   4.387  -1.842
   31    HA   THR   5           HA       THR   5  -3.056   5.176  -0.868
   32    HB   THR   5           HB       THR   5  -5.544   4.125   0.317
   33    HG1  THR   5           HG1      THR   5  -3.468   5.804   1.322
   34   HG21  THR   5          HG21      THR   5  -3.661   2.404   0.715
   35   HG22  THR   5          HG22      THR   5  -4.599   2.962   2.102
   36   HG23  THR   5          HG23      THR   5  -2.987   3.618   1.804
   37    H    LEU   6           HN       LEU   6  -4.417   3.021  -2.872
   38    HA   LEU   6           HA       LEU   6  -3.006   0.660  -2.085
   39    HB2  LEU   6           HB1      LEU   6  -3.889  -0.336  -4.164
   40    HB3  LEU   6           HB2      LEU   6  -5.099   0.294  -3.078
   41    HG   LEU   6           HG       LEU   6  -4.285   1.514  -5.695
   42   HD11  LEU   6          HD11      LEU   6  -6.948   0.545  -4.759
   43   HD12  LEU   6          HD12      LEU   6  -5.793  -0.546  -5.550
   44   HD13  LEU   6          HD13      LEU   6  -6.426   0.856  -6.423
   45   HD21  LEU   6          HD21      LEU   6  -6.315   2.449  -3.706
   46   HD22  LEU   6          HD22      LEU   6  -6.061   3.112  -5.330
   47   HD23  LEU   6          HD23      LEU   6  -4.802   3.283  -4.108
   48    H    GLN   7           HN       GLN   7  -2.945   2.004  -5.283
   49    HA   GLN   7           HA       GLN   7  -0.646   1.381  -6.275
   50    HB2  GLN   7           HB1      GLN   7  -0.406   4.114  -6.618
   51    HB3  GLN   7           HB2      GLN   7  -1.314   3.023  -7.662
   52    HG2  GLN   7           HG1      GLN   7  -2.739   4.825  -7.079
   53    HG3  GLN   7           HG2      GLN   7  -3.264   3.412  -6.157
   54   HE21  GLN   7          HE21      GLN   7  -2.916   3.326  -3.976
   55   HE22  GLN   7          HE22      GLN   7  -2.490   4.696  -3.034
   56    H    THR   8           HN       THR   8  -0.934   3.372  -3.419
   57    HA   THR   8           HA       THR   8   1.940   3.786  -3.273
   58    HB   THR   8           HB       THR   8   0.533   5.728  -2.781
   59    HG1  THR   8           HG1      THR   8   2.555   4.868  -1.376
   60   HG21  THR   8          HG21      THR   8  -0.968   3.817  -1.381
   61   HG22  THR   8          HG22      THR   8  -1.295   5.549  -1.530
   62   HG23  THR   8          HG23      THR   8  -0.349   4.944  -0.168
   63    H    ILE   9           HN       ILE   9  -0.644   2.168  -1.624
   64    HA   ILE   9           HA       ILE   9   1.300   0.828   0.081
   65    HB   ILE   9           HB       ILE   9  -1.642   1.093   0.621
   66   HG12  ILE   9          HG11      ILE   9  -0.494   3.244   0.868
   67   HG13  ILE   9          HG12      ILE   9  -0.981   2.617   2.439
   68   HG21  ILE   9          HG21      ILE   9  -0.662  -0.961   1.515
   69   HG22  ILE   9          HG22      ILE   9  -1.136   0.146   2.804
   70   HG23  ILE   9          HG23      ILE   9   0.563  -0.009   2.355
   71   HD11  ILE   9          HD11      ILE   9   1.302   1.857   2.843
   72   HD12  ILE   9          HD12      ILE   9   1.234   3.592   2.533
   73   HD13  ILE   9          HD13      ILE   9   1.789   2.493   1.271
   74    H    LEU  10           HN       LEU  10  -1.511   0.478  -1.834
   75    HA   LEU  10           HA       LEU  10  -2.575  -1.207  -2.877
   76    HB2  LEU  10           HB2      LEU  10  -0.511  -0.877  -4.165
   77    HB3  LEU  10           HB1      LEU  10   0.209  -2.221  -3.301
   78    HG   LEU  10           HG       LEU  10  -1.308  -3.777  -4.318
   79   HD11  LEU  10          HD11      LEU  10  -3.229  -2.015  -4.248
   80   HD12  LEU  10          HD12      LEU  10  -3.216  -3.241  -5.515
   81   HD13  LEU  10          HD13      LEU  10  -2.661  -1.604  -5.866
   82   HD21  LEU  10          HD21      LEU  10  -0.268  -1.748  -6.263
   83   HD22  LEU  10          HD22      LEU  10  -0.853  -3.346  -6.728
   84   HD23  LEU  10          HD23      LEU  10   0.568  -3.191  -5.691
   85    H    GLY  11           HN       GLY  11  -2.878  -3.534  -3.177
   86    HA2  GLY  11           HA1      GLY  11  -3.523  -4.803  -0.826
   87    HA3  GLY  11           HA2      GLY  11  -3.315  -5.590  -2.383
   88    H    GLY  12           HN       GLY  12  -0.446  -4.655  -2.421
   89    HA2  GLY  12           HA2      GLY  12   0.966  -5.694  -0.242
   90    HA3  GLY  12           HA1      GLY  12   0.713  -7.004  -1.382
   91    H    VAL  13           HN       VAL  13   1.215  -3.622  -2.271
   92    HA   VAL  13           HA       VAL  13   3.361  -4.355  -4.008
   93    HB   VAL  13           HB       VAL  13   1.696  -2.481  -4.415
   94   HG11  VAL  13          HG11      VAL  13   2.681  -1.609  -2.003
   95   HG12  VAL  13          HG12      VAL  13   1.650  -0.691  -3.101
   96   HG13  VAL  13          HG13      VAL  13   3.405  -0.506  -3.172
   97   HG21  VAL  13          HG21      VAL  13   3.673  -2.836  -5.816
   98   HG22  VAL  13          HG22      VAL  13   4.629  -1.843  -4.716
   99   HG23  VAL  13          HG23      VAL  13   3.307  -1.121  -5.634
  100    H    ASN  14           HN       ASN  14   3.480  -4.405  -0.895
  101    HA   ASN  14           HA       ASN  14   5.615  -2.653  -0.207
  102    HB2  ASN  14           HB2      ASN  14   4.619  -5.154   1.173
  103    HB3  ASN  14           HB1      ASN  14   5.750  -3.997   1.868
  104   HD21  ASN  14          HD21      ASN  14   1.771  -3.231   1.753
  105   HD22  ASN  14          HD22      ASN  14   2.462  -4.581   0.925
  106    H    LYS  15           HN       LYS  15   7.483  -2.842  -1.292
  107    HA   LYS  15           HA       LYS  15   9.013  -5.277  -0.959
  108    HB2  LYS  15           HB2      LYS  15   9.556  -5.464  -3.365
  109    HB3  LYS  15           HB1      LYS  15   7.858  -5.773  -3.029
  110    HG2  LYS  15           HG2      LYS  15   7.307  -3.500  -3.756
  111    HG3  LYS  15           HG1      LYS  15   9.010  -3.213  -4.117
  112    HD2  LYS  15           HD2      LYS  15   7.870  -3.766  -6.160
  113    HD3  LYS  15           HD1      LYS  15   8.935  -5.104  -5.726
  114    HE2  LYS  15           HE2      LYS  15   6.760  -5.911  -6.492
  115    HE3  LYS  15           HE1      LYS  15   7.042  -6.328  -4.802
  116    HZ1  LYS  15           HZ1      LYS  15   4.797  -5.518  -5.148
  117    HZ2  LYS  15           HZ2      LYS  15   5.387  -4.059  -5.768
  118    HZ3  LYS  15           HZ3      LYS  15   5.658  -4.460  -4.147
  119    H    HIS  16           HN       HIS  16   8.777  -2.016  -0.972
  120    HA   HIS  16           HA       HIS  16  11.484  -1.449  -1.875
  121    HB2  HIS  16           HB2      HIS  16  10.896   0.911  -1.342
  122    HB3  HIS  16           HB1      HIS  16   9.783   0.160  -2.482
  123    HD1  HIS  16           HD1      HIS  16   7.353  -0.089  -1.771
  124    HD2  HIS  16           HD2      HIS  16   9.803   1.408   1.234
  125    HE1  HIS  16           HE1      HIS  16   5.794   0.705   0.036
  126    HE2  HIS  16           HE2      HIS  16   7.298   1.607   1.845
  127    H    SER  17           HN       SER  17  12.878  -0.063  -0.453
  128    HA   SER  17           HA       SER  17  12.536  -0.592   2.403
  129    HB2  SER  17           HB2      SER  17  14.872  -1.373   2.607
  130    HB3  SER  17           HB1      SER  17  13.913  -2.445   1.588
  131    HG   SER  17           HG       SER  17  15.950  -0.657   0.876
  132    H    THR  18           HN       THR  18  14.584   0.932  -0.071
  133    HA   THR  18           HA       THR  18  14.811   3.277   1.696
  134    HB   THR  18           HB       THR  18  17.066   3.695   0.791
  135    HG1  THR  18           HG1      THR  18  17.042   1.073  -0.276
  136   HG21  THR  18          HG21      THR  18  16.842   2.477   2.898
  137   HG22  THR  18          HG22      THR  18  18.232   1.895   1.984
  138   HG23  THR  18          HG23      THR  18  16.741   0.954   2.017
  139    H    SER  19           HN       SER  19  16.089   5.001  -0.005
  140    HA   SER  19           HA       SER  19  15.679   6.523  -1.647
  141    HB2  SER  19           HB2      SER  19  14.575   4.103  -3.097
  142    HB3  SER  19           HB1      SER  19  14.972   5.649  -3.848
  143    HG   SER  19           HG       SER  19  17.029   5.167  -3.770
  144    H    ILE  20           HN       ILE  20  13.308   6.000  -3.539
  145    HA   ILE  20           HA       ILE  20  11.253   6.927  -3.771
  146    HB   ILE  20           HB       ILE  20   9.546   5.814  -2.649
  147   HG12  ILE  20          HG12      ILE  20  11.438   5.197  -0.372
  148   HG13  ILE  20          HG11      ILE  20  10.238   6.484  -0.342
  149   HG21  ILE  20          HG21      ILE  20  11.887   3.940  -2.392
  150   HG22  ILE  20          HG22      ILE  20  11.094   4.344  -3.917
  151   HG23  ILE  20          HG23      ILE  20  10.196   3.509  -2.650
  152   HD11  ILE  20          HD11      ILE  20   9.670   3.540  -0.574
  153   HD12  ILE  20          HD12      ILE  20   8.461   4.825  -0.569
  154   HD13  ILE  20          HD13      ILE  20   9.452   4.540   0.862
  155    H    GLY  21           HN       GLY  21   9.286   7.781  -2.091
  156    HA2  GLY  21           HA1      GLY  21   8.650   9.454  -0.628
  157    HA3  GLY  21           HA2      GLY  21  10.308   9.532  -0.056
  158    H    LYS  22           HN       LYS  22   9.076  11.867  -0.247
  159    HA   LYS  22           HA       LYS  22   9.558  13.054  -2.853
  160    HB2  LYS  22           HB2      LYS  22   8.464  14.157  -0.265
  161    HB3  LYS  22           HB1      LYS  22   8.759  15.160  -1.678
  162    HG2  LYS  22           HG1      LYS  22   6.467  14.623  -1.708
  163    HG3  LYS  22           HG2      LYS  22   7.223  13.624  -2.952
  164    HD2  LYS  22           HD2      LYS  22   7.241  11.719  -1.435
  165    HD3  LYS  22           HD1      LYS  22   6.528  12.712  -0.162
  166    HE2  LYS  22           HE2      LYS  22   4.539  13.054  -1.546
  167    HE3  LYS  22           HE1      LYS  22   5.251  12.058  -2.814
  168    HZ1  LYS  22           HZ1      LYS  22   5.250  10.181  -1.291
  169    HZ2  LYS  22           HZ2      LYS  22   3.687  10.798  -1.480
  170    HZ3  LYS  22           HZ3      LYS  22   4.565  11.138  -0.075
  Start of MODEL   17
    1    H1   ACE   0           HA1      ACE   0 -15.069  -0.109  -2.455
    2    H2   ACE   0           HA2      ACE   0 -13.840   0.171  -3.686
    3    H3   ACE   0           HA3      ACE   0 -14.706   1.551  -3.016
    4    H    MET   1           HN       MET   1 -12.266   2.061  -2.806
    5    HA   MET   1           HA       MET   1 -11.577   1.569  -0.024
    6    HB2  MET   1           HB1      MET   1 -10.355  -0.138  -1.321
    7    HB3  MET   1           HB2      MET   1  -9.598   1.154  -2.251
    8    HG2  MET   1           HG1      MET   1  -8.354   0.051  -0.246
    9    HG3  MET   1           HG2      MET   1  -8.221   1.790  -0.541
   10    HE1  MET   1           HE1      MET   1  -7.467   0.372   2.235
   11    HE2  MET   1           HE2      MET   1  -8.176   1.508   3.383
   12    HE3  MET   1           HE3      MET   1  -7.333   2.108   1.955
   13    H    ASP   2           HN       ASP   2 -12.290   3.778  -2.173
   14    HA   ASP   2           HA       ASP   2 -11.834   6.029  -2.349
   15    HB2  ASP   2           HB2      ASP   2 -10.922   5.243   0.361
   16    HB3  ASP   2           HB1      ASP   2 -10.265   6.733  -0.265
   17    H    TRP   3           HN       TRP   3 -10.110   3.709  -3.016
   18    HA   TRP   3           HA       TRP   3  -7.615   3.679  -2.839
   19    HB2  TRP   3           HB1      TRP   3  -9.329   3.266  -5.108
   20    HB3  TRP   3           HB2      TRP   3  -7.607   3.353  -5.438
   21    HD1  TRP   3           HD1      TRP   3  -9.564   0.826  -5.406
   22    HE1  TRP   3           HE1      TRP   3  -8.794  -1.323  -4.202
   23    HE3  TRP   3           HE3      TRP   3  -6.299   2.949  -2.231
   24    HZ2  TRP   3           HZ2      TRP   3  -6.989  -1.949  -2.100
   25    HZ3  TRP   3           HZ3      TRP   3  -5.105   1.547  -0.630
   26    HH2  TRP   3           HH2      TRP   3  -5.437  -0.848  -0.567
   27    H    GLY   4           HN       GLY   4  -6.008   4.209  -3.540
   28    HA2  GLY   4           HA2      GLY   4  -4.706   5.858  -4.973
   29    HA3  GLY   4           HA1      GLY   4  -5.509   7.054  -3.943
   30    H    THR   5           HN       THR   5  -5.485   4.467  -2.199
   31    HA   THR   5           HA       THR   5  -3.054   5.021  -0.732
   32    HB   THR   5           HB       THR   5  -5.789   4.140  -0.067
   33    HG1  THR   5           HG1      THR   5  -4.340   5.333   1.898
   34   HG21  THR   5          HG21      THR   5  -4.145   2.264   0.598
   35   HG22  THR   5          HG22      THR   5  -5.280   2.858   1.812
   36   HG23  THR   5          HG23      THR   5  -3.597   3.389   1.841
   37    H    LEU   6           HN       LEU   6  -4.174   3.034  -3.038
   38    HA   LEU   6           HA       LEU   6  -3.109   0.550  -2.101
   39    HB2  LEU   6           HB1      LEU   6  -3.663  -0.319  -4.346
   40    HB3  LEU   6           HB2      LEU   6  -5.004   0.376  -3.476
   41    HG   LEU   6           HG       LEU   6  -3.632   1.596  -5.847
   42   HD11  LEU   6          HD11      LEU   6  -6.487   0.821  -5.455
   43   HD12  LEU   6          HD12      LEU   6  -5.290  -0.341  -6.061
   44   HD13  LEU   6          HD13      LEU   6  -5.642   1.127  -6.981
   45   HD21  LEU   6          HD21      LEU   6  -5.922   2.637  -4.228
   46   HD22  LEU   6          HD22      LEU   6  -5.321   3.320  -5.750
   47   HD23  LEU   6          HD23      LEU   6  -4.304   3.357  -4.309
   48    H    GLN   7           HN       GLN   7  -2.359   1.961  -5.181
   49    HA   GLN   7           HA       GLN   7   0.034   1.189  -5.756
   50    HB2  GLN   7           HB1      GLN   7   0.530   3.904  -5.940
   51    HB3  GLN   7           HB2      GLN   7  -0.243   2.915  -7.176
   52    HG2  GLN   7           HG1      GLN   7  -1.620   4.806  -6.794
   53    HG3  GLN   7           HG2      GLN   7  -2.407   3.415  -6.040
   54   HE21  GLN   7          HE21      GLN   7  -2.476   3.246  -3.836
   55   HE22  GLN   7          HE22      GLN   7  -2.136   4.555  -2.780
   56    H    THR   8           HN       THR   8  -0.635   3.122  -2.924
   57    HA   THR   8           HA       THR   8   2.185   3.306  -2.235
   58    HB   THR   8           HB       THR   8   0.849   5.338  -1.935
   59    HG1  THR   8           HG1      THR   8   1.773   5.808  -0.008
   60   HG21  THR   8          HG21      THR   8  -1.014   3.515  -0.909
   61   HG22  THR   8          HG22      THR   8  -1.181   5.272  -1.034
   62   HG23  THR   8          HG23      THR   8  -0.544   4.549   0.445
   63    H    ILE   9           HN       ILE   9  -0.769   1.850  -1.158
   64    HA   ILE   9           HA       ILE   9   0.719   0.322   0.824
   65    HB   ILE   9           HB       ILE   9  -2.245   0.808   0.816
   66   HG12  ILE   9          HG11      ILE   9  -1.000   2.844   1.376
   67   HG13  ILE   9          HG12      ILE   9  -1.830   2.212   2.793
   68   HG21  ILE   9          HG21      ILE   9  -0.483  -0.577   2.830
   69   HG22  ILE   9          HG22      ILE   9  -1.686  -1.337   1.787
   70   HG23  ILE   9          HG23      ILE   9  -2.196  -0.217   3.050
   71   HD11  ILE   9          HD11      ILE   9   0.265   1.246   3.588
   72   HD12  ILE   9          HD12      ILE   9   0.393   2.989   3.357
   73   HD13  ILE   9          HD13      ILE   9   1.095   1.888   2.171
   74    H    LEU  10           HN       LEU  10  -1.698   0.241  -1.595
   75    HA   LEU  10           HA       LEU  10  -2.666  -1.336  -2.880
   76    HB2  LEU  10           HB2      LEU  10  -0.367  -1.100  -3.744
   77    HB3  LEU  10           HB1      LEU  10   0.079  -2.535  -2.844
   78    HG   LEU  10           HG       LEU  10  -1.311  -3.919  -4.219
   79   HD11  LEU  10          HD11      LEU  10  -3.116  -2.063  -4.382
   80   HD12  LEU  10          HD12      LEU  10  -2.914  -3.179  -5.731
   81   HD13  LEU  10          HD13      LEU  10  -2.228  -1.558  -5.819
   82   HD21  LEU  10          HD21      LEU  10   0.183  -1.872  -5.820
   83   HD22  LEU  10          HD22      LEU  10  -0.394  -3.407  -6.473
   84   HD23  LEU  10          HD23      LEU  10   0.820  -3.391  -5.189
   85    H    GLY  11           HN       GLY  11  -2.942  -3.687  -3.348
   86    HA2  GLY  11           HA1      GLY  11  -4.141  -4.979  -1.247
   87    HA3  GLY  11           HA2      GLY  11  -3.584  -5.748  -2.724
   88    H    GLY  12           HN       GLY  12  -0.778  -4.836  -2.024
   89    HA2  GLY  12           HA2      GLY  12   0.090  -5.908   0.386
   90    HA3  GLY  12           HA1      GLY  12   0.049  -7.237  -0.761
   91    H    VAL  13           HN       VAL  13   0.785  -3.962  -1.765
   92    HA   VAL  13           HA       VAL  13   3.203  -4.739  -2.983
   93    HB   VAL  13           HB       VAL  13   1.799  -2.764  -3.656
   94   HG11  VAL  13          HG11      VAL  13   2.592  -1.950  -1.018
   95   HG12  VAL  13          HG12      VAL  13   1.352  -1.272  -2.071
   96   HG13  VAL  13          HG13      VAL  13   3.027  -0.733  -2.215
   97   HG21  VAL  13          HG21      VAL  13   4.747  -2.289  -3.227
   98   HG22  VAL  13          HG22      VAL  13   3.718  -1.414  -4.362
   99   HG23  VAL  13          HG23      VAL  13   4.017  -3.137  -4.591
  100    H    ASN  14           HN       ASN  14   5.365  -4.137  -2.499
  101    HA   ASN  14           HA       ASN  14   5.935  -3.163   0.181
  102    HB2  ASN  14           HB2      ASN  14   5.710  -5.600   0.474
  103    HB3  ASN  14           HB1      ASN  14   6.927  -5.858  -0.771
  104   HD21  ASN  14          HD21      ASN  14   8.432  -3.901   2.458
  105   HD22  ASN  14          HD22      ASN  14   7.073  -3.286   1.587
  106    H    LYS  15           HN       LYS  15   6.783  -3.747  -3.078
  107    HA   LYS  15           HA       LYS  15   9.519  -2.796  -2.724
  108    HB2  LYS  15           HB2      LYS  15   9.727  -3.247  -5.164
  109    HB3  LYS  15           HB1      LYS  15   9.274  -4.660  -4.221
  110    HG2  LYS  15           HG2      LYS  15   6.941  -4.358  -4.898
  111    HG3  LYS  15           HG1      LYS  15   7.411  -2.955  -5.860
  112    HD2  LYS  15           HD2      LYS  15   8.864  -4.376  -7.223
  113    HD3  LYS  15           HD1      LYS  15   8.390  -5.779  -6.264
  114    HE2  LYS  15           HE2      LYS  15   6.067  -5.473  -6.967
  115    HE3  LYS  15           HE1      LYS  15   6.543  -4.074  -7.930
  116    HZ1  LYS  15           HZ1      LYS  15   7.944  -5.521  -9.269
  117    HZ2  LYS  15           HZ2      LYS  15   6.337  -6.051  -9.295
  118    HZ3  LYS  15           HZ3      LYS  15   7.478  -6.862  -8.347
  119    H    HIS  16           HN       HIS  16  10.084  -0.746  -2.988
  120    HA   HIS  16           HA       HIS  16   8.526   0.983  -4.753
  121    HB2  HIS  16           HB2      HIS  16   9.042   1.549  -1.831
  122    HB3  HIS  16           HB1      HIS  16   8.557   2.786  -2.985
  123    HD1  HIS  16           HD1      HIS  16   7.242  -0.036  -0.971
  124    HD2  HIS  16           HD2      HIS  16   5.884   2.563  -3.915
  125    HE1  HIS  16           HE1      HIS  16   4.738  -0.268  -0.970
  126    HE2  HIS  16           HE2      HIS  16   3.937   1.314  -2.759
  127    H    SER  17           HN       SER  17  11.127   1.328  -2.334
  128    HA   SER  17           HA       SER  17  13.119   1.789  -4.339
  129    HB2  SER  17           HB2      SER  17  12.018   3.978  -4.396
  130    HB3  SER  17           HB1      SER  17  12.216   4.136  -2.651
  131    HG   SER  17           HG       SER  17  13.929   4.807  -4.553
  132    H    THR  18           HN       THR  18  12.535   2.887  -0.993
  133    HA   THR  18           HA       THR  18  15.119   1.751  -0.220
  134    HB   THR  18           HB       THR  18  14.829   3.005   1.886
  135    HG1  THR  18           HG1      THR  18  12.281   3.167   1.000
  136   HG21  THR  18          HG21      THR  18  14.418   4.649  -0.614
  137   HG22  THR  18          HG22      THR  18  15.963   4.094   0.030
  138   HG23  THR  18          HG23      THR  18  15.005   5.271   0.928
  139    H    SER  19           HN       SER  19  14.859   1.179   2.379
  140    HA   SER  19           HA       SER  19  13.391  -1.288   2.334
  141    HB2  SER  19           HB2      SER  19  14.787  -0.040   4.693
  142    HB3  SER  19           HB1      SER  19  14.404  -1.744   4.458
  143    HG   SER  19           HG       SER  19  16.119  -1.967   3.252
  144    H    ILE  20           HN       ILE  20  12.359   1.701   2.685
  145    HA   ILE  20           HA       ILE  20  10.673   2.805   3.734
  146    HB   ILE  20           HB       ILE  20   8.600   1.797   3.481
  147   HG12  ILE  20          HG12      ILE  20   9.901  -0.922   3.768
  148   HG13  ILE  20          HG11      ILE  20   9.008  -0.102   5.046
  149   HG21  ILE  20          HG21      ILE  20  10.615   0.516   1.663
  150   HG22  ILE  20          HG22      ILE  20   9.588   1.920   1.354
  151   HG23  ILE  20          HG23      ILE  20   8.877   0.307   1.430
  152   HD11  ILE  20          HD11      ILE  20   6.986  -0.182   3.680
  153   HD12  ILE  20          HD12      ILE  20   7.643  -1.791   3.982
  154   HD13  ILE  20          HD13      ILE  20   7.881  -1.021   2.413
  155    H    GLY  21           HN       GLY  21   8.745   2.176   5.544
  156    HA2  GLY  21           HA2      GLY  21   9.044   0.746   7.757
  157    HA3  GLY  21           HA1      GLY  21  10.329   1.924   7.981
  158    H    LYS  22           HN       LYS  22   6.859   1.775   7.196
  159    HA   LYS  22           HA       LYS  22   6.453   4.030   9.037
  160    HB2  LYS  22           HB2      LYS  22   4.459   4.458   7.258
  161    HB3  LYS  22           HB1      LYS  22   6.019   5.264   7.195
  162    HG2  LYS  22           HG2      LYS  22   5.463   4.487   5.005
  163    HG3  LYS  22           HG1      LYS  22   6.805   3.521   5.619
  164    HD2  LYS  22           HD2      LYS  22   5.250   1.730   6.212
  165    HD3  LYS  22           HD1      LYS  22   3.902   2.698   5.612
  166    HE2  LYS  22           HE2      LYS  22   6.233   1.705   3.976
  167    HE3  LYS  22           HE1      LYS  22   4.607   1.023   3.973
  168    HZ1  LYS  22           HZ1      LYS  22   5.324   3.782   3.136
  169    HZ2  LYS  22           HZ2      LYS  22   3.766   3.125   3.131
  170    HZ3  LYS  22           HZ3      LYS  22   4.949   2.501   2.096
  Start of MODEL   18
    1    H1   ACE   0           HA1      ACE   0 -15.511   2.769  -1.011
    2    H2   ACE   0           HA2      ACE   0 -14.595   1.453  -1.743
    3    H3   ACE   0           HA3      ACE   0 -14.418   3.081  -2.393
    4    H    MET   1           HN       MET   1 -12.114   2.153  -1.899
    5    HA   MET   1           HA       MET   1 -11.323   2.619   0.856
    6    HB2  MET   1           HB1      MET   1 -10.396   0.690  -0.369
    7    HB3  MET   1           HB2      MET   1  -9.641   1.809  -1.503
    8    HG2  MET   1           HG1      MET   1  -8.273   0.795   0.462
    9    HG3  MET   1           HG2      MET   1  -8.040   2.482  -0.013
   10    HE1  MET   1           HE1      MET   1  -9.557  -0.014   2.601
   11    HE2  MET   1           HE2      MET   1 -11.004   0.811   2.023
   12    HE3  MET   1           HE3      MET   1 -10.448   1.062   3.677
   13    H    ASP   2           HN       ASP   2 -12.077   4.674  -1.426
   14    HA   ASP   2           HA       ASP   2 -11.457   6.847  -1.878
   15    HB2  ASP   2           HB2      ASP   2 -10.326   6.235   0.794
   16    HB3  ASP   2           HB1      ASP   2  -9.618   7.591  -0.045
   17    H    TRP   3           HN       TRP   3 -10.016   4.321  -2.471
   18    HA   TRP   3           HA       TRP   3  -7.529   4.073  -2.541
   19    HB2  TRP   3           HB1      TRP   3  -9.507   3.614  -4.572
   20    HB3  TRP   3           HB2      TRP   3  -7.830   3.507  -5.080
   21    HD1  TRP   3           HD1      TRP   3  -9.974   1.189  -4.593
   22    HE1  TRP   3           HE1      TRP   3  -9.257  -0.901  -3.260
   23    HE3  TRP   3           HE3      TRP   3  -6.220   3.285  -1.996
   24    HZ2  TRP   3           HZ2      TRP   3  -7.292  -1.495  -1.295
   25    HZ3  TRP   3           HZ3      TRP   3  -4.979   1.933  -0.389
   26    HH2  TRP   3           HH2      TRP   3  -5.496  -0.402  -0.047
   27    H    GLY   4           HN       GLY   4  -5.967   4.385  -3.435
   28    HA2  GLY   4           HA2      GLY   4  -4.691   5.761  -5.156
   29    HA3  GLY   4           HA1      GLY   4  -5.274   7.118  -4.177
   30    H    THR   5           HN       THR   5  -5.281   4.714  -2.189
   31    HA   THR   5           HA       THR   5  -2.667   5.164  -1.039
   32    HB   THR   5           HB       THR   5  -5.378   4.625  -0.013
   33    HG1  THR   5           HG1      THR   5  -3.703   6.557   0.164
   34   HG21  THR   5          HG21      THR   5  -3.837   2.659   0.660
   35   HG22  THR   5          HG22      THR   5  -4.792   3.457   1.912
   36   HG23  THR   5          HG23      THR   5  -3.075   3.830   1.736
   37    H    LEU   6           HN       LEU   6  -4.204   3.084  -3.002
   38    HA   LEU   6           HA       LEU   6  -3.257   0.603  -1.934
   39    HB2  LEU   6           HB1      LEU   6  -4.114  -0.399  -4.023
   40    HB3  LEU   6           HB2      LEU   6  -5.291   0.493  -3.100
   41    HG   LEU   6           HG       LEU   6  -4.081   1.364  -5.701
   42   HD11  LEU   6          HD11      LEU   6  -6.932   0.897  -4.951
   43   HD12  LEU   6          HD12      LEU   6  -5.909  -0.416  -5.567
   44   HD13  LEU   6          HD13      LEU   6  -6.237   0.997  -6.578
   45   HD21  LEU   6          HD21      LEU   6  -6.088   2.758  -3.976
   46   HD22  LEU   6          HD22      LEU   6  -5.592   3.245  -5.606
   47   HD23  LEU   6          HD23      LEU   6  -4.431   3.310  -4.282
   48    H    GLN   7           HN       GLN   7  -2.723   1.540  -5.232
   49    HA   GLN   7           HA       GLN   7  -0.477   0.570  -6.004
   50    HB2  GLN   7           HB1      GLN   7   0.227   3.236  -6.356
   51    HB3  GLN   7           HB2      GLN   7  -0.715   2.247  -7.471
   52    HG2  GLN   7           HG1      GLN   7  -1.988   4.177  -7.119
   53    HG3  GLN   7           HG2      GLN   7  -2.715   2.932  -6.094
   54   HE21  GLN   7          HE21      GLN   7  -2.533   3.045  -3.922
   55   HE22  GLN   7          HE22      GLN   7  -1.997   4.440  -3.080
   56    H    THR   8           HN       THR   8  -0.610   2.807  -3.297
   57    HA   THR   8           HA       THR   8   2.272   2.694  -2.891
   58    HB   THR   8           HB       THR   8   1.343   4.902  -2.719
   59    HG1  THR   8           HG1      THR   8   1.841   5.249  -0.371
   60   HG21  THR   8          HG21      THR   8  -0.765   3.458  -1.406
   61   HG22  THR   8          HG22      THR   8  -0.765   5.113  -2.038
   62   HG23  THR   8          HG23      THR   8  -0.217   4.800  -0.390
   63    H    ILE   9           HN       ILE   9  -0.709   1.891  -1.307
   64    HA   ILE   9           HA       ILE   9   0.742   0.222   0.595
   65    HB   ILE   9           HB       ILE   9  -1.896   1.479   1.228
   66   HG12  ILE   9          HG11      ILE   9  -0.278   3.288   0.834
   67   HG13  ILE   9          HG12      ILE   9  -0.710   3.185   2.536
   68   HG21  ILE   9          HG21      ILE   9   0.237   0.213   2.939
   69   HG22  ILE   9          HG22      ILE   9  -1.359  -0.441   2.575
   70   HG23  ILE   9          HG23      ILE   9  -1.205   1.010   3.565
   71   HD11  ILE   9          HD11      ILE   9   1.379   2.032   3.006
   72   HD12  ILE   9          HD12      ILE   9   1.667   3.592   2.235
   73   HD13  ILE   9          HD13      ILE   9   1.810   2.105   1.297
   74    H    LEU  10           HN       LEU  10  -0.312  -0.324  -1.974
   75    HA   LEU  10           HA       LEU  10  -2.674  -1.451  -2.405
   76    HB2  LEU  10           HB2      LEU  10  -0.752  -1.386  -3.947
   77    HB3  LEU  10           HB1      LEU  10  -0.106  -2.799  -3.147
   78    HG   LEU  10           HG       LEU  10  -1.887  -4.173  -3.949
   79   HD11  LEU  10          HD11      LEU  10  -3.566  -2.177  -3.692
   80   HD12  LEU  10          HD12      LEU  10  -3.868  -3.449  -4.871
   81   HD13  LEU  10          HD13      LEU  10  -3.188  -1.907  -5.390
   82   HD21  LEU  10          HD21      LEU  10  -0.882  -2.276  -6.040
   83   HD22  LEU  10          HD22      LEU  10  -1.688  -3.803  -6.405
   84   HD23  LEU  10          HD23      LEU  10  -0.143  -3.800  -5.550
   85    H    GLY  11           HN       GLY  11  -3.411  -3.634  -2.543
   86    HA2  GLY  11           HA1      GLY  11  -3.864  -4.871  -0.174
   87    HA3  GLY  11           HA2      GLY  11  -3.914  -5.676  -1.733
   88    H    GLY  12           HN       GLY  12  -0.979  -5.150  -2.119
   89    HA2  GLY  12           HA2      GLY  12   0.356  -6.552  -0.003
   90    HA3  GLY  12           HA1      GLY  12   0.054  -7.581  -1.393
   91    H    VAL  13           HN       VAL  13   0.694  -4.166  -1.803
   92    HA   VAL  13           HA       VAL  13   2.852  -4.657  -3.549
   93    HB   VAL  13           HB       VAL  13   1.491  -2.626  -3.717
   94   HG11  VAL  13          HG11      VAL  13   1.755  -2.502  -1.046
   95   HG12  VAL  13          HG12      VAL  13   1.224  -1.150  -2.046
   96   HG13  VAL  13          HG13      VAL  13   2.912  -1.267  -1.537
   97   HG21  VAL  13          HG21      VAL  13   3.712  -2.633  -4.721
   98   HG22  VAL  13          HG22      VAL  13   4.414  -2.080  -3.200
   99   HG23  VAL  13          HG23      VAL  13   3.314  -1.032  -4.096
  100    H    ASN  14           HN       ASN  14   5.064  -4.409  -3.310
  101    HA   ASN  14           HA       ASN  14   6.059  -3.980  -0.583
  102    HB2  ASN  14           HB1      ASN  14   7.707  -5.815  -0.923
  103    HB3  ASN  14           HB2      ASN  14   6.040  -6.380  -0.879
  104   HD21  ASN  14          HD21      ASN  14   8.051  -7.859  -3.715
  105   HD22  ASN  14          HD22      ASN  14   8.420  -7.601  -2.048
  106    H    LYS  15           HN       LYS  15   6.736  -1.912  -1.150
  107    HA   LYS  15           HA       LYS  15   9.198  -1.856  -2.728
  108    HB2  LYS  15           HB1      LYS  15   6.875   0.031  -3.148
  109    HB3  LYS  15           HB2      LYS  15   8.476   0.250  -3.839
  110    HG2  LYS  15           HG1      LYS  15   8.231  -1.848  -5.071
  111    HG3  LYS  15           HG2      LYS  15   6.617  -2.055  -4.386
  112    HD2  LYS  15           HD1      LYS  15   5.894   0.021  -5.452
  113    HD3  LYS  15           HD2      LYS  15   7.509   0.242  -6.128
  114    HE2  LYS  15           HE1      LYS  15   5.991  -0.690  -7.790
  115    HE3  LYS  15           HE2      LYS  15   7.269  -1.836  -7.389
  116    HZ1  LYS  15           HZ1      LYS  15   5.723  -2.987  -5.926
  117    HZ2  LYS  15           HZ2      LYS  15   5.126  -2.928  -7.507
  118    HZ3  LYS  15           HZ3      LYS  15   4.496  -1.892  -6.327
  119    H    HIS  16           HN       HIS  16   7.569  -1.112   0.047
  120    HA   HIS  16           HA       HIS  16   9.108   1.300   0.639
  121    HB2  HIS  16           HB2      HIS  16   7.743   1.388   2.708
  122    HB3  HIS  16           HB1      HIS  16   6.760   1.369   1.247
  123    HD1  HIS  16           HD1      HIS  16   5.107  -0.515   0.983
  124    HD2  HIS  16           HD2      HIS  16   7.700  -1.079   4.182
  125    HE1  HIS  16           HE1      HIS  16   4.196  -2.489   2.248
  126    HE2  HIS  16           HE2      HIS  16   5.780  -2.813   4.180
  127    H    SER  17           HN       SER  17  10.497   1.462   2.428
  128    HA   SER  17           HA       SER  17  11.282  -1.045   3.727
  129    HB2  SER  17           HB1      SER  17  13.213   0.865   2.389
  130    HB3  SER  17           HB2      SER  17  13.672  -0.526   3.370
  131    HG   SER  17           HG       SER  17  13.378  -0.603   0.861
  132    H    THR  18           HN       THR  18  10.798  -0.596   5.780
  133    HA   THR  18           HA       THR  18  10.669   0.448   7.797
  134    HB   THR  18           HB       THR  18  12.695   1.480   8.636
  135    HG1  THR  18           HG1      THR  18  13.962   1.290   6.136
  136   HG21  THR  18          HG21      THR  18  12.691  -0.958   8.413
  137   HG22  THR  18          HG22      THR  18  14.308  -0.301   8.159
  138   HG23  THR  18          HG23      THR  18  13.339  -0.813   6.779
  139    H    SER  19           HN       SER  19  11.407   2.859   8.807
  140    HA   SER  19           HA       SER  19  10.662   5.004   9.001
  141    HB2  SER  19           HB2      SER  19  11.045   4.976   5.997
  142    HB3  SER  19           HB1      SER  19  10.860   6.423   6.987
  143    HG   SER  19           HG       SER  19  12.768   5.195   8.153
  144    H    ILE  20           HN       ILE  20   9.202   6.156   6.496
  145    HA   ILE  20           HA       ILE  20   7.043   6.704   6.074
  146    HB   ILE  20           HB       ILE  20   5.779   5.017   5.066
  147   HG12  ILE  20          HG12      ILE  20   7.329   2.939   6.628
  148   HG13  ILE  20          HG11      ILE  20   5.701   3.477   7.028
  149   HG21  ILE  20          HG21      ILE  20   8.621   4.046   4.881
  150   HG22  ILE  20          HG22      ILE  20   7.985   5.457   4.035
  151   HG23  ILE  20          HG23      ILE  20   7.350   3.853   3.673
  152   HD11  ILE  20          HD11      ILE  20   4.908   2.636   4.868
  153   HD12  ILE  20          HD12      ILE  20   5.634   1.370   5.857
  154   HD13  ILE  20          HD13      ILE  20   6.537   2.062   4.510
  155    H    GLY  21           HN       GLY  21   7.749   6.245   8.965
  156    HA2  GLY  21           HA1      GLY  21   5.421   6.943  10.190
  157    HA3  GLY  21           HA2      GLY  21   5.357   5.187  10.172
  158    H    LYS  22           HN       LYS  22   7.301   4.066  11.088
  159    HA   LYS  22           HA       LYS  22   9.009   5.483  12.874
  160    HB2  LYS  22           HB1      LYS  22   8.085   4.342  14.953
  161    HB3  LYS  22           HB2      LYS  22   7.156   5.693  14.319
  162    HG2  LYS  22           HG2      LYS  22   5.705   4.007  13.145
  163    HG3  LYS  22           HG1      LYS  22   6.542   2.762  14.075
  164    HD2  LYS  22           HD1      LYS  22   5.856   3.897  16.156
  165    HD3  LYS  22           HD2      LYS  22   4.957   5.071  15.192
  166    HE2  LYS  22           HE2      LYS  22   3.566   3.273  14.295
  167    HE3  LYS  22           HE1      LYS  22   4.464   2.097  15.256
  168    HZ1  LYS  22           HZ1      LYS  22   3.698   3.197  17.261
  169    HZ2  LYS  22           HZ2      LYS  22   2.381   2.712  16.316
  170    HZ3  LYS  22           HZ3      LYS  22   2.847   4.337  16.346
  Start of MODEL   19
    1    H1   ACE   0           HA1      ACE   0 -13.926   1.984  -4.294
    2    H2   ACE   0           HA2      ACE   0 -13.971   0.391  -3.543
    3    H3   ACE   0           HA3      ACE   0 -13.024   0.615  -5.011
    4    H    MET   1           HN       MET   1 -13.077   0.835  -1.604
    5    HA   MET   1           HA       MET   1 -11.488   1.303  -0.051
    6    HB2  MET   1           HB1      MET   1 -10.234  -0.381  -1.365
    7    HB3  MET   1           HB2      MET   1  -9.531   0.935  -2.304
    8    HG2  MET   1           HG1      MET   1  -8.231  -0.109  -0.307
    9    HG3  MET   1           HG2      MET   1  -8.177   1.635  -0.595
   10    HE1  MET   1           HE1      MET   1 -11.081  -0.584   0.954
   11    HE2  MET   1           HE2      MET   1 -10.704  -0.453   2.673
   12    HE3  MET   1           HE3      MET   1  -9.594  -1.290   1.588
   13    H    ASP   2           HN       ASP   2 -12.312   3.441  -2.268
   14    HA   ASP   2           HA       ASP   2 -11.935   5.702  -2.494
   15    HB2  ASP   2           HB2      ASP   2 -11.009   5.010   0.237
   16    HB3  ASP   2           HB1      ASP   2 -10.407   6.508  -0.420
   17    H    TRP   3           HN       TRP   3 -10.112   3.430  -3.096
   18    HA   TRP   3           HA       TRP   3  -7.621   3.504  -2.906
   19    HB2  TRP   3           HB1      TRP   3  -9.301   2.978  -5.177
   20    HB3  TRP   3           HB2      TRP   3  -7.583   3.130  -5.500
   21    HD1  TRP   3           HD1      TRP   3  -9.435   0.527  -5.429
   22    HE1  TRP   3           HE1      TRP   3  -8.579  -1.567  -4.184
   23    HE3  TRP   3           HE3      TRP   3  -6.276   2.841  -2.282
   24    HZ2  TRP   3           HZ2      TRP   3  -6.759  -2.079  -2.064
   25    HZ3  TRP   3           HZ3      TRP   3  -5.031   1.520  -0.652
   26    HH2  TRP   3           HH2      TRP   3  -5.260  -0.883  -0.545
   27    H    GLY   4           HN       GLY   4  -6.032   4.086  -3.596
   28    HA2  GLY   4           HA2      GLY   4  -4.783   5.757  -5.054
   29    HA3  GLY   4           HA1      GLY   4  -5.643   6.940  -4.053
   30    H    THR   5           HN       THR   5  -5.521   4.381  -2.266
   31    HA   THR   5           HA       THR   5  -3.128   5.062  -0.793
   32    HB   THR   5           HB       THR   5  -5.832   4.097  -0.127
   33    HG1  THR   5           HG1      THR   5  -4.859   5.332   1.896
   34   HG21  THR   5          HG21      THR   5  -4.124   2.288   0.573
   35   HG22  THR   5          HG22      THR   5  -5.298   2.850   1.764
   36   HG23  THR   5          HG23      THR   5  -3.637   3.446   1.811
   37    H    LEU   6           HN       LEU   6  -4.150   2.991  -3.069
   38    HA   LEU   6           HA       LEU   6  -2.991   0.561  -2.092
   39    HB2  LEU   6           HB1      LEU   6  -3.500  -0.354  -4.328
   40    HB3  LEU   6           HB2      LEU   6  -4.871   0.299  -3.474
   41    HG   LEU   6           HG       LEU   6  -3.539   1.538  -5.857
   42   HD11  LEU   6          HD11      LEU   6  -6.361   0.652  -5.464
   43   HD12  LEU   6          HD12      LEU   6  -5.115  -0.465  -6.054
   44   HD13  LEU   6          HD13      LEU   6  -5.525   0.977  -6.990
   45   HD21  LEU   6          HD21      LEU   6  -5.879   2.512  -4.269
   46   HD22  LEU   6          HD22      LEU   6  -5.287   3.199  -5.792
   47   HD23  LEU   6          HD23      LEU   6  -4.289   3.292  -4.343
   48    H    GLN   7           HN       GLN   7  -2.281   1.885  -5.221
   49    HA   GLN   7           HA       GLN   7   0.141   1.258  -5.829
   50    HB2  GLN   7           HB1      GLN   7   0.507   4.013  -5.905
   51    HB3  GLN   7           HB2      GLN   7  -0.181   3.013  -7.184
   52    HG2  GLN   7           HG1      GLN   7  -1.730   4.729  -6.825
   53    HG3  GLN   7           HG2      GLN   7  -2.378   3.315  -5.984
   54   HE21  GLN   7          HE21      GLN   7  -2.420   3.248  -3.801
   55   HE22  GLN   7          HE22      GLN   7  -2.165   4.617  -2.800
   56    H    THR   8           HN       THR   8  -0.565   3.169  -2.976
   57    HA   THR   8           HA       THR   8   2.254   3.394  -2.269
   58    HB   THR   8           HB       THR   8   1.020   5.451  -2.069
   59    HG1  THR   8           HG1      THR   8   1.275   5.709   0.314
   60   HG21  THR   8          HG21      THR   8  -0.987   3.657  -1.071
   61   HG22  THR   8          HG22      THR   8  -1.147   5.347  -1.581
   62   HG23  THR   8          HG23      THR   8  -0.712   4.967   0.088
   63    H    ILE   9           HN       ILE   9  -0.743   2.089  -1.107
   64    HA   ILE   9           HA       ILE   9   0.705   0.447   0.818
   65    HB   ILE   9           HB       ILE   9  -2.055   1.469   1.353
   66   HG12  ILE   9          HG11      ILE   9  -0.496   3.387   1.200
   67   HG13  ILE   9          HG12      ILE   9  -1.109   3.159   2.833
   68   HG21  ILE   9          HG21      ILE   9  -1.490  -0.510   2.594
   69   HG22  ILE   9          HG22      ILE   9  -1.487   0.866   3.695
   70   HG23  ILE   9          HG23      ILE   9   0.038   0.201   3.111
   71   HD11  ILE   9          HD11      ILE   9   0.973   2.115   3.494
   72   HD12  ILE   9          HD12      ILE   9   1.269   3.710   2.802
   73   HD13  ILE   9          HD13      ILE   9   1.588   2.262   1.848
   74    H    LEU  10           HN       LEU  10  -0.117  -0.017  -1.831
   75    HA   LEU  10           HA       LEU  10  -2.324  -1.262  -2.551
   76    HB2  LEU  10           HB2      LEU  10  -0.338  -1.057  -3.917
   77    HB3  LEU  10           HB1      LEU  10   0.417  -2.368  -3.041
   78    HG   LEU  10           HG       LEU  10  -1.116  -3.964  -3.959
   79   HD11  LEU  10          HD11      LEU  10  -2.971  -1.976  -3.991
   80   HD12  LEU  10          HD12      LEU  10  -3.140  -3.512  -4.840
   81   HD13  LEU  10          HD13      LEU  10  -2.559  -2.087  -5.702
   82   HD21  LEU  10          HD21      LEU  10  -0.150  -1.984  -5.991
   83   HD22  LEU  10          HD22      LEU  10  -0.745  -3.596  -6.398
   84   HD23  LEU  10          HD23      LEU  10   0.707  -3.411  -5.408
   85    H    GLY  11           HN       GLY  11  -3.161  -3.310  -2.671
   86    HA2  GLY  11           HA1      GLY  11  -3.621  -4.694  -0.389
   87    HA3  GLY  11           HA2      GLY  11  -3.701  -5.396  -1.999
   88    H    GLY  12           HN       GLY  12  -1.054  -5.365  -2.748
   89    HA2  GLY  12           HA2      GLY  12   0.171  -7.164  -0.752
   90    HA3  GLY  12           HA1      GLY  12   0.295  -7.421  -2.486
   91    H    VAL  13           HN       VAL  13   0.449  -4.180  -1.435
   92    HA   VAL  13           HA       VAL  13   2.692  -3.365  -2.575
   93    HB   VAL  13           HB       VAL  13   0.971  -2.226  -0.843
   94   HG11  VAL  13          HG21      VAL  13   2.167  -3.104   1.129
   95   HG12  VAL  13          HG22      VAL  13   2.160  -1.342   1.071
   96   HG13  VAL  13          HG23      VAL  13   3.612  -2.233   0.617
   97   HG21  VAL  13          HG11      VAL  13   2.567  -1.386  -2.678
   98   HG22  VAL  13          HG12      VAL  13   3.595  -0.903  -1.329
   99   HG23  VAL  13          HG13      VAL  13   1.958  -0.254  -1.472
  100    H    ASN  14           HN       ASN  14   4.847  -3.339  -2.296
  101    HA   ASN  14           HA       ASN  14   6.233  -3.964   0.039
  102    HB2  ASN  14           HB1      ASN  14   5.283  -6.236  -0.376
  103    HB3  ASN  14           HB2      ASN  14   6.142  -6.274  -1.912
  104   HD21  ASN  14          HD21      ASN  14   8.083  -6.916   1.594
  105   HD22  ASN  14          HD22      ASN  14   6.460  -6.325   1.553
  106    H    LYS  15           HN       LYS  15   6.025  -2.763  -2.926
  107    HA   LYS  15           HA       LYS  15   8.526  -3.265  -4.120
  108    HB2  LYS  15           HB1      LYS  15   6.736  -0.841  -4.369
  109    HB3  LYS  15           HB2      LYS  15   8.077  -1.224  -5.440
  110    HG2  LYS  15           HG2      LYS  15   5.639  -2.947  -5.048
  111    HG3  LYS  15           HG1      LYS  15   5.885  -1.822  -6.385
  112    HD2  LYS  15           HD1      LYS  15   7.863  -3.075  -7.084
  113    HD3  LYS  15           HD2      LYS  15   7.635  -4.194  -5.738
  114    HE2  LYS  15           HE1      LYS  15   6.778  -5.138  -7.815
  115    HE3  LYS  15           HE2      LYS  15   5.477  -4.869  -6.655
  116    HZ1  LYS  15           HZ1      LYS  15   6.151  -3.095  -8.940
  117    HZ2  LYS  15           HZ2      LYS  15   4.907  -2.833  -7.826
  118    HZ3  LYS  15           HZ3      LYS  15   4.840  -4.161  -8.870
  119    H    HIS  16           HN       HIS  16   7.789  -1.628  -1.292
  120    HA   HIS  16           HA       HIS  16   9.629   0.507  -1.342
  121    HB2  HIS  16           HB1      HIS  16   8.628  -1.070   1.037
  122    HB3  HIS  16           HB2      HIS  16   9.402   0.510   1.102
  123    HD1  HIS  16           HD1      HIS  16   6.146  -1.084   0.804
  124    HD2  HIS  16           HD2      HIS  16   7.801   2.598  -0.184
  125    HE1  HIS  16           HE1      HIS  16   4.192   0.455   0.438
  126    HE2  HIS  16           HE2      HIS  16   5.216   2.678  -0.156
  127    H    SER  17           HN       SER  17  11.485   0.542   0.369
  128    HA   SER  17           HA       SER  17  13.526  -1.134  -0.557
  129    HB2  SER  17           HB2      SER  17  14.855  -0.237   1.340
  130    HB3  SER  17           HB1      SER  17  14.009   1.030   0.451
  131    HG   SER  17           HG       SER  17  13.841   1.194   2.771
  132    H    THR  18           HN       THR  18  12.106  -1.115   2.720
  133    HA   THR  18           HA       THR  18  12.174  -4.026   2.760
  134    HB   THR  18           HB       THR  18  13.562  -2.401   4.902
  135    HG1  THR  18           HG1      THR  18  14.761  -4.265   3.125
  136   HG21  THR  18          HG21      THR  18  12.453  -4.438   5.734
  137   HG22  THR  18          HG22      THR  18  14.211  -4.559   5.826
  138   HG23  THR  18          HG23      THR  18  13.335  -5.392   4.541
  139    H    SER  19           HN       SER  19  11.910  -1.583   5.335
  140    HA   SER  19           HA       SER  19   9.594  -2.809   6.428
  141    HB2  SER  19           HB2      SER  19   9.481  -0.799   7.881
  142    HB3  SER  19           HB1      SER  19  11.087  -1.533   7.862
  143    HG   SER  19           HG       SER  19  11.568   0.522   7.500
  144    H    ILE  20           HN       ILE  20   7.521  -1.635   6.764
  145    HA   ILE  20           HA       ILE  20   6.808   0.190   4.601
  146    HB   ILE  20           HB       ILE  20   4.751  -1.160   4.149
  147   HG12  ILE  20          HG11      ILE  20   6.251  -3.392   5.519
  148   HG13  ILE  20          HG12      ILE  20   4.959  -2.484   6.300
  149   HG21  ILE  20          HG21      ILE  20   7.437  -2.385   3.542
  150   HG22  ILE  20          HG22      ILE  20   6.560  -1.198   2.574
  151   HG23  ILE  20          HG23      ILE  20   5.932  -2.839   2.736
  152   HD11  ILE  20          HD11      ILE  20   3.444  -3.203   4.463
  153   HD12  ILE  20          HD12      ILE  20   4.056  -4.522   5.460
  154   HD13  ILE  20          HD13      ILE  20   4.744  -4.231   3.862
  155    H    GLY  21           HN       GLY  21   4.664   1.173   4.918
  156    HA2  GLY  21           HA2      GLY  21   2.852   1.852   6.247
  157    HA3  GLY  21           HA1      GLY  21   3.527   0.947   7.593
  158    H    LYS  22           HN       LYS  22   3.160   3.999   6.166
  159    HA   LYS  22           HA       LYS  22   5.306   5.200   7.745
  160    HB2  LYS  22           HB2      LYS  22   3.472   6.292   5.614
  161    HB3  LYS  22           HB1      LYS  22   4.527   7.324   6.568
  162    HG2  LYS  22           HG1      LYS  22   5.641   6.897   4.528
  163    HG3  LYS  22           HG2      LYS  22   6.456   5.936   5.763
  164    HD2  LYS  22           HD2      LYS  22   6.184   4.606   3.772
  165    HD3  LYS  22           HD1      LYS  22   5.141   3.967   5.044
  166    HE2  LYS  22           HE1      LYS  22   3.977   4.025   2.901
  167    HE3  LYS  22           HE2      LYS  22   3.225   5.118   4.063
  168    HZ1  LYS  22           HZ1      LYS  22   3.421   6.151   1.897
  169    HZ2  LYS  22           HZ2      LYS  22   5.095   5.913   1.897
  170    HZ3  LYS  22           HZ3      LYS  22   4.393   6.964   3.020
  Start of MODEL   20
    1    H1   ACE   0           HA1      ACE   0 -13.668  -0.411  -3.795
    2    H2   ACE   0           HA2      ACE   0 -14.196   1.263  -3.640
    3    H3   ACE   0           HA3      ACE   0 -15.032   0.016  -2.716
    4    H    MET   1           HN       MET   1 -12.112   1.910  -3.012
    5    HA   MET   1           HA       MET   1 -11.582   1.486  -0.187
    6    HB2  MET   1           HB1      MET   1 -10.227  -0.210  -1.365
    7    HB3  MET   1           HB2      MET   1  -9.445   1.091  -2.265
    8    HG2  MET   1           HG2      MET   1  -7.997   1.422  -0.628
    9    HG3  MET   1           HG1      MET   1  -9.307   1.655   0.533
   10    HE1  MET   1           HE1      MET   1 -10.449  -0.283   1.912
   11    HE2  MET   1           HE2      MET   1  -9.992  -1.982   1.790
   12    HE3  MET   1           HE3      MET   1 -10.786  -1.182   0.432
   13    H    ASP   2           HN       ASP   2 -12.239   3.636  -2.379
   14    HA   ASP   2           HA       ASP   2 -11.837   5.896  -2.573
   15    HB2  ASP   2           HB2      ASP   2 -10.969   5.173   0.167
   16    HB3  ASP   2           HB1      ASP   2 -10.313   6.658  -0.472
   17    H    TRP   3           HN       TRP   3 -10.058   3.593  -3.160
   18    HA   TRP   3           HA       TRP   3  -7.571   3.605  -2.941
   19    HB2  TRP   3           HB1      TRP   3  -9.238   3.128  -5.231
   20    HB3  TRP   3           HB2      TRP   3  -7.512   3.238  -5.536
   21    HD1  TRP   3           HD1      TRP   3  -9.424   0.676  -5.492
   22    HE1  TRP   3           HE1      TRP   3  -8.635  -1.436  -4.237
   23    HE3  TRP   3           HE3      TRP   3  -6.248   2.913  -2.307
   24    HZ2  TRP   3           HZ2      TRP   3  -6.850  -1.993  -2.101
   25    HZ3  TRP   3           HZ3      TRP   3  -5.050   1.560  -0.667
   26    HH2  TRP   3           HH2      TRP   3  -5.338  -0.836  -0.566
   27    H    GLY   4           HN       GLY   4  -5.959   4.148  -3.612
   28    HA2  GLY   4           HA2      GLY   4  -4.651   5.792  -5.049
   29    HA3  GLY   4           HA1      GLY   4  -5.492   6.993  -4.053
   30    H    THR   5           HN       THR   5  -5.454   4.423  -2.273
   31    HA   THR   5           HA       THR   5  -3.060   5.040  -0.772
   32    HB   THR   5           HB       THR   5  -5.796   4.145  -0.136
   33    HG1  THR   5           HG1      THR   5  -5.595   5.703   1.346
   34   HG21  THR   5          HG21      THR   5  -4.135   2.291   0.574
   35   HG22  THR   5          HG22      THR   5  -5.315   2.872   1.750
   36   HG23  THR   5          HG23      THR   5  -3.642   3.432   1.827
   37    H    LEU   6           HN       LEU   6  -4.108   3.002  -3.066
   38    HA   LEU   6           HA       LEU   6  -3.017   0.543  -2.084
   39    HB2  LEU   6           HB1      LEU   6  -3.526  -0.354  -4.326
   40    HB3  LEU   6           HB2      LEU   6  -4.889   0.334  -3.488
   41    HG   LEU   6           HG       LEU   6  -3.498   1.539  -5.854
   42   HD11  LEU   6          HD11      LEU   6  -6.347   0.731  -5.490
   43   HD12  LEU   6          HD12      LEU   6  -5.126  -0.420  -6.067
   44   HD13  LEU   6          HD13      LEU   6  -5.486   1.033  -7.009
   45   HD21  LEU   6          HD21      LEU   6  -5.826   2.575  -4.291
   46   HD22  LEU   6          HD22      LEU   6  -5.199   3.248  -5.806
   47   HD23  LEU   6          HD23      LEU   6  -4.215   3.311  -4.344
   48    H    GLN   7           HN       GLN   7  -2.238   1.852  -5.203
   49    HA   GLN   7           HA       GLN   7   0.174   1.177  -5.782
   50    HB2  GLN   7           HB1      GLN   7   0.606   3.923  -5.839
   51    HB3  GLN   7           HB2      GLN   7  -0.087   2.946  -7.132
   52    HG2  GLN   7           HG1      GLN   7  -1.602   4.694  -6.786
   53    HG3  GLN   7           HG2      GLN   7  -2.293   3.293  -5.957
   54   HE21  GLN   7          HE21      GLN   7  -2.362   3.222  -3.774
   55   HE22  GLN   7          HE22      GLN   7  -2.087   4.583  -2.768
   56    H    THR   8           HN       THR   8  -0.517   3.106  -2.933
   57    HA   THR   8           HA       THR   8   2.297   3.255  -2.191
   58    HB   THR   8           HB       THR   8   1.117   5.339  -1.984
   59    HG1  THR   8           HG1      THR   8   1.469   4.214   0.614
   60   HG21  THR   8          HG21      THR   8  -0.952   3.587  -1.034
   61   HG22  THR   8          HG22      THR   8  -1.064   5.282  -1.543
   62   HG23  THR   8          HG23      THR   8  -0.667   4.889   0.133
   63    H    ILE   9           HN       ILE   9  -0.743   2.022  -1.062
   64    HA   ILE   9           HA       ILE   9   0.649   0.339   0.873
   65    HB   ILE   9           HB       ILE   9  -2.119   1.371   1.346
   66   HG12  ILE   9          HG11      ILE   9  -0.573   3.292   1.237
   67   HG13  ILE   9          HG12      ILE   9  -1.192   3.048   2.865
   68   HG21  ILE   9          HG21      ILE   9  -1.598  -0.605   2.599
   69   HG22  ILE   9          HG22      ILE   9  -1.587   0.767   3.705
   70   HG23  ILE   9          HG23      ILE   9  -0.065   0.083   3.136
   71   HD11  ILE   9          HD11      ILE   9   1.513   2.172   1.884
   72   HD12  ILE   9          HD12      ILE   9   0.891   2.005   3.526
   73   HD13  ILE   9          HD13      ILE   9   1.183   3.608   2.852
   74    H    LEU  10           HN       LEU  10  -0.119  -0.094  -1.805
   75    HA   LEU  10           HA       LEU  10  -2.327  -1.321  -2.572
   76    HB2  LEU  10           HB2      LEU  10  -0.305  -1.089  -3.899
   77    HB3  LEU  10           HB1      LEU  10   0.412  -2.439  -3.050
   78    HG   LEU  10           HG       LEU  10  -1.146  -3.976  -4.032
   79   HD11  LEU  10          HD11      LEU  10  -2.978  -2.013  -4.019
   80   HD12  LEU  10          HD12      LEU  10  -3.114  -3.447  -5.036
   81   HD13  LEU  10          HD13      LEU  10  -2.490  -1.943  -5.711
   82   HD21  LEU  10          HD21      LEU  10  -0.085  -1.975  -5.994
   83   HD22  LEU  10          HD22      LEU  10  -0.709  -3.561  -6.452
   84   HD23  LEU  10          HD23      LEU  10   0.723  -3.434  -5.425
   85    H    GLY  11           HN       GLY  11  -3.114  -3.402  -2.776
   86    HA2  GLY  11           HA1      GLY  11  -3.624  -4.819  -0.519
   87    HA3  GLY  11           HA2      GLY  11  -3.653  -5.498  -2.139
   88    H    GLY  12           HN       GLY  12  -0.947  -5.352  -2.776
   89    HA2  GLY  12           HA2      GLY  12   0.235  -7.185  -0.786
   90    HA3  GLY  12           HA1      GLY  12   0.414  -7.416  -2.518
   91    H    VAL  13           HN       VAL  13   0.471  -4.184  -1.472
   92    HA   VAL  13           HA       VAL  13   2.750  -3.338  -2.521
   93    HB   VAL  13           HB       VAL  13   0.924  -2.250  -0.811
   94   HG11  VAL  13          HG21      VAL  13   3.599  -2.043   0.574
   95   HG12  VAL  13          HG22      VAL  13   2.225  -2.980   1.161
   96   HG13  VAL  13          HG23      VAL  13   2.106  -1.225   1.036
   97   HG21  VAL  13          HG11      VAL  13   2.531  -1.432  -2.706
   98   HG22  VAL  13          HG12      VAL  13   3.411  -0.733  -1.347
   99   HG23  VAL  13          HG13      VAL  13   1.723  -0.294  -1.632
  100    H    ASN  14           HN       ASN  14   4.885  -3.197  -2.098
  101    HA   ASN  14           HA       ASN  14   6.144  -3.813   0.310
  102    HB2  ASN  14           HB1      ASN  14   5.360  -6.111  -0.165
  103    HB3  ASN  14           HB2      ASN  14   6.228  -6.076  -1.696
  104   HD21  ASN  14          HD21      ASN  14   8.733  -5.768   1.492
  105   HD22  ASN  14          HD22      ASN  14   7.433  -4.655   1.260
  106    H    LYS  15           HN       LYS  15   6.115  -3.060  -2.972
  107    HA   LYS  15           HA       LYS  15   8.906  -2.199  -2.831
  108    HB2  LYS  15           HB2      LYS  15   9.353  -3.018  -5.106
  109    HB3  LYS  15           HB1      LYS  15   8.984  -4.334  -4.001
  110    HG2  LYS  15           HG1      LYS  15   6.744  -4.502  -4.883
  111    HG3  LYS  15           HG2      LYS  15   7.023  -3.104  -5.924
  112    HD2  LYS  15           HD2      LYS  15   8.778  -4.333  -7.105
  113    HD3  LYS  15           HD1      LYS  15   8.502  -5.731  -6.062
  114    HE2  LYS  15           HE2      LYS  15   7.392  -5.986  -8.229
  115    HE3  LYS  15           HE1      LYS  15   6.231  -5.935  -6.903
  116    HZ1  LYS  15           HZ1      LYS  15   6.913  -3.659  -8.685
  117    HZ2  LYS  15           HZ2      LYS  15   5.794  -3.617  -7.418
  118    HZ3  LYS  15           HZ3      LYS  15   5.503  -4.590  -8.770
  119    H    HIS  16           HN       HIS  16   9.421  -0.439  -4.195
  120    HA   HIS  16           HA       HIS  16   7.181   0.822  -5.602
  121    HB2  HIS  16           HB1      HIS  16   8.962   2.310  -3.664
  122    HB3  HIS  16           HB2      HIS  16   7.614   2.977  -4.579
  123    HD1  HIS  16           HD1      HIS  16   5.192   1.992  -3.901
  124    HD2  HIS  16           HD2      HIS  16   8.292   1.302  -1.221
  125    HE1  HIS  16           HE1      HIS  16   4.081   1.356  -1.737
  126    HE2  HIS  16           HE2      HIS  16   5.975   0.946  -0.127
  127    H    SER  17           HN       SER  17   7.736   1.867  -7.445
  128    HA   SER  17           HA       SER  17  10.404   1.476  -8.443
  129    HB2  SER  17           HB2      SER  17   8.474   1.180  -9.924
  130    HB3  SER  17           HB1      SER  17   8.020   2.867  -9.689
  131    HG   SER  17           HG       SER  17   9.234   3.159 -11.385
  132    H    THR  18           HN       THR  18   8.959   3.838  -6.586
  133    HA   THR  18           HA       THR  18  11.063   5.764  -7.294
  134    HB   THR  18           HB       THR  18   9.491   7.628  -6.857
  135    HG1  THR  18           HG1      THR  18   7.906   6.584  -5.645
  136   HG21  THR  18          HG21      THR  18   8.701   5.727  -9.064
  137   HG22  THR  18          HG22      THR  18   9.917   7.001  -9.151
  138   HG23  THR  18          HG23      THR  18   8.213   7.419  -8.973
  139    H    SER  19           HN       SER  19  12.321   6.122  -5.602
  140    HA   SER  19           HA       SER  19  11.818   5.195  -3.019
  141    HB2  SER  19           HB1      SER  19  13.698   7.385  -3.926
  142    HB3  SER  19           HB2      SER  19  13.713   6.643  -2.327
  143    HG   SER  19           HG       SER  19  15.033   5.812  -4.365
  144    H    ILE  20           HN       ILE  20  11.139   6.179  -1.133
  145    HA   ILE  20           HA       ILE  20  10.125   8.911  -1.281
  146    HB   ILE  20           HB       ILE  20   7.979   8.197  -0.260
  147   HG12  ILE  20          HG12      ILE  20   8.965   5.431  -0.992
  148   HG13  ILE  20          HG11      ILE  20   8.733   6.042   0.643
  149   HG21  ILE  20          HG21      ILE  20   8.701   7.156  -2.992
  150   HG22  ILE  20          HG22      ILE  20   7.960   8.705  -2.579
  151   HG23  ILE  20          HG23      ILE  20   7.043   7.212  -2.386
  152   HD11  ILE  20          HD11      ILE  20   6.910   4.590  -0.007
  153   HD12  ILE  20          HD12      ILE  20   6.568   5.614  -1.402
  154   HD13  ILE  20          HD13      ILE  20   6.336   6.240   0.230
  155    H    GLY  21           HN       GLY  21  12.253   7.268   0.155
  156    HA2  GLY  21           HA1      GLY  21  11.601   8.271   2.845
  157    HA3  GLY  21           HA2      GLY  21  12.188   6.625   2.650
  158    H    LYS  22           HN       LYS  22  13.408   8.713   4.194
  159    HA   LYS  22           HA       LYS  22  15.736   9.551   2.672
  160    HB2  LYS  22           HB2      LYS  22  14.882  10.028   5.528
  161    HB3  LYS  22           HB1      LYS  22  16.413  10.592   4.877
  162    HG2  LYS  22           HG1      LYS  22  14.949  12.427   4.775
  163    HG3  LYS  22           HG2      LYS  22  15.071  11.820   3.123
  164    HD2  LYS  22           HD2      LYS  22  12.951  10.651   3.376
  165    HD3  LYS  22           HD1      LYS  22  12.836  11.196   5.051
  166    HE2  LYS  22           HE1      LYS  22  12.872  12.966   2.609
  167    HE3  LYS  22           HE2      LYS  22  11.451  12.561   3.572
  168    HZ1  LYS  22           HZ1      LYS  22  12.326  14.726   4.169
  169    HZ2  LYS  22           HZ2      LYS  22  13.831  14.049   4.542
  170    HZ3  LYS  22           HZ3      LYS  22  12.473  13.656   5.470