*HEADER    VIRUS/VIRAL PROTEIN                     31-MAY-01   1JAU              
*TITLE     NMR SOLUTION STRUCTURE OF THE TRP-RICH PEPTIDE OF HIV GP41            
*TITLE    2 BOUND TO DPC MICELLES                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSMEMBRANE GLYCOPROTEIN (GP41);                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 665-683;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HUMAN              
*SOURCE   5 IMMUNODEFICIENCY VIRUS (HIV).                                        
*KEYWDS    AMPHIPATHIC ALPHA HELIX                                               
*EXPDTA    NMR, 40 STRUCTURES                                                    
*AUTHOR    D.J.SCHIBLI, R.C.MONTELARO, H.J.VOGEL                                 
*REVDAT   1   17-OCT-01 1JAU    0                                                
assign (resid 1 and name HB#) (resid 1 and name HA)     2.800 1.0 0.0 volume 0.3665 peak 439

assign (resid 1 and name HD#) (resid 1 and name HA)     5.000 3.2 0.0 volume 0.0968 peak 433

assign (resid 1 and name HB#) (resid 1 and name HD#)     2.800 1.0 0.0 volume 0.3363 peak 504

assign (resid 1 and name HE#) (resid 1 and name HG#)     5.000 3.2 0.0 volume 0.0735 peak 496

assign (resid 1 and name HE#) (resid 1 and name HG#)     5.000 3.2 0.0 volume 0.0715 peak 495

assign (resid 2 and name HD1) (resid 1 and name HB#)     5.000 3.2 0.0 volume 0.063 peak 252

assign (resid 2 and name HE1) (resid 1 and name HD#)     5.000 3.2 0.0 volume 0.0293 peak 6

assign (resid 2 and name HN) (resid 1 and name HA)     2.800 1.0 0.0 volume 0.4402 peak 12

assign (resid 2 and name HN) (resid 1 and name HB#)     3.400 1.6 0.0 volume 0.1347 peak 14

assign (resid 2 and name HZ2) (resid 1 and name HD#)     5.000 3.2 0.0 volume 0.0363 peak 250

assign (resid 2 and name HZ2) (resid 1 and name HE#)     5.000 3.2 0.0 volume 0.0278 peak 618

assign (resid 2 and name HD1) (resid 2 and name HB#)     2.800 1.0 0.0 volume 0.3538 peak 270

assign (resid 2 and name HE1) (resid 2 and name HB#)     5.000 3.2 0.0 volume 0.0239 peak 585

assign (resid 2 and name HE1) (resid 2 and name HD1)     2.800 1.0 0.0 volume 1.0328 peak 591

assign (resid 2 and name HE3) (resid 2 and name HB#)     2.800 1.0 0.0 volume 0.3763 peak 165

assign (resid 2 and name HH2) (resid 2 and name HB#)     5.000 3.2 0.0 volume 0.0348 peak 376

assign (resid 2 and name HE1) (resid 2 and name HH2)     5.000 3.2 0.0 volume 0.031 peak 546

assign (resid 2 and name HN) (resid 2 and name HB#)     3.400 1.6 0.0 volume 0.2207 peak 13

assign (resid 2 and name HN) (resid 2 and name HD1)     3.400 1.6 0.0 volume 0.1124 peak 11

assign (resid 2 and name HN) (resid 2 and name HE3)     5.000 3.2 0.0 volume 0.0286 peak 543

assign (resid 2 and name HE1) (resid 2 and name HZ2)     2.800 1.0 0.0 volume 0.3371 peak 590

assign (resid 2 and name HZ3) (resid 2 and name HB#)     5.000 3.2 0.0 volume 0.0357 peak 375

assign (resid 2 and name HE3) (resid 2 and name HZ3)     2.800 1.0 0.0 volume 1.0858 peak 141

assign (resid 2 and name HH2) (resid 2 and name HZ3)     3.400 1.6 0.0 volume 0.1548 peak 304

assign (resid 2 and name HH2) (resid 2 and name HZ3)     2.800 1.0 0.0 volume 1.5014 peak 305

assign (resid 2 and name HZ2) (resid 2 and name HZ3)     3.400 1.6 0.0 volume 0.1462 peak 293

assign (resid 2 and name HZ3) (resid 2 and name HZ2)     3.400 1.6 0.0 volume 0.1786 peak 589

assign (resid 3 and name HN) (resid 1 and name HA)     5.000 3.2 0.0 volume 0.0568 peak 565

assign (resid 3 and name HN) (resid 1 and name HB#)     5.000 3.2 0.0 volume 0.0844 peak 568

assign (resid 3 and name HN) (resid 1 and name HG#)     5.000 3.2 0.0 volume 0.039 peak 28

assign (resid 2 and name HB#) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.045 peak 475

assign (resid 2 and name HD1) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0361 peak 245

assign (resid 2 and name HE3) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0411 peak 200

assign (resid 2 and name HN) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0283 peak 561

assign (resid 2 and name HZ3) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0318 peak 358

assign (resid 3 and name HN) (resid 2 and name HA)     2.800 1.0 0.0 volume 0.6856 peak 567

assign (resid 3 and name HN) (resid 2 and name HB#)     3.400 1.6 0.0 volume 0.209 peak 569

assign (resid 3 and name HN) (resid 2 and name HD1)     5.000 3.2 0.0 volume 0.0523 peak 573

assign (resid 3 and name HN) (resid 2 and name HE3)     5.000 3.2 0.0 volume 0.0388 peak 572

assign (resid 2 and name HN) (resid 3 and name HN)     3.400 1.6 0.0 volume 0.1208 peak 10

assign (resid 3 and name HN) (resid 2 and name HN)     3.400 1.6 0.0 volume 0.1137 peak 570

assign (resid 3 and name HB#) (resid 3 and name HA)     2.800 1.0 0.0 volume 0.9803 peak 424

assign (resid 3 and name HN) (resid 3 and name HA)     2.800 1.0 0.0 volume 0.436 peak 566

assign (resid 3 and name HN) (resid 3 and name HB#)     2.800 1.0 0.0 volume 1.0835 peak 33

assign (resid 4 and name HN) (resid 1 and name HB#)     5.000 3.2 0.0 volume 0.0306 peak 41

assign (resid 2 and name HB#) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0373 peak 450

assign (resid 4 and name HN) (resid 2 and name HA)     2.800 1.0 0.0 volume 0.6224 peak 610

assign (resid 3 and name HB#) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0835 peak 404

assign (resid 3 and name HB#) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0346 peak 457

assign (resid 4 and name HN) (resid 3 and name HA)     2.800 1.0 0.0 volume 0.3343 peak 81

assign (resid 4 and name HN) (resid 3 and name HB#)     3.400 1.6 0.0 volume 0.3372 peak 29

assign (resid 3 and name HN) (resid 4 and name HN)     3.400 1.6 0.0 volume 0.2711 peak 571

assign (resid 4 and name HB#) (resid 4 and name HA)     3.400 1.6 0.0 volume 0.1838 peak 388

assign (resid 4 and name HB#) (resid 4 and name HA)     3.400 1.6 0.0 volume 0.1578 peak 387

assign (resid 4 and name HN) (resid 4 and name HB#)     3.400 1.6 0.0 volume 0.2668 peak 70

assign (resid 4 and name HN) (resid 4 and name HB#)     3.400 1.6 0.0 volume 0.2727 peak 71

assign (resid 2 and name HB#) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.0279 peak 615

assign (resid 2 and name HE3) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.0369 peak 192

assign (resid 2 and name HE3) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.1413 peak 221

assign (resid 2 and name HH2) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0754 peak 337

assign (resid 2 and name HZ3) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0781 peak 357

assign (resid 2 and name HB#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0472 peak 480

assign (resid 2 and name HD1) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0601 peak 224

assign (resid 2 and name HE3) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.114 peak 222

assign (resid 2 and name HH2) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0496 peak 346

assign (resid 2 and name HZ2) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.034 peak 223

assign (resid 2 and name HZ3) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0655 peak 355

assign (resid 5 and name HN) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0511 peak 82

assign (resid 5 and name HN) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0679 peak 547

assign (resid 3 and name HN) (resid 5 and name HN)     5.000 3.2 0.0 volume 0.0272 peak 576

assign (resid 5 and name HD1#) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0408 peak 410

assign (resid 5 and name HN) (resid 4 and name HA)     2.800 1.0 0.0 volume 0.4006 peak 89

assign (resid 5 and name HN) (resid 4 and name HB#)     3.400 1.6 0.0 volume 0.1086 peak 75

assign (resid 4 and name HN) (resid 5 and name HN)     2.800 1.0 0.0 volume 0.3784 peak 122

assign (resid 5 and name HB#) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.214 peak 428

assign (resid 5 and name HB#) (resid 5 and name HD1#)     3.400 1.6 0.0 volume 0.3926 peak 525

assign (resid 5 and name HB#) (resid 5 and name HD2#)     3.400 1.6 0.0 volume 0.5102 peak 527

assign (resid 5 and name HD1#) (resid 5 and name HD2#)     2.800 1.0 0.0 volume 1.5467 peak 537

assign (resid 5 and name HB#) (resid 5 and name HG)     2.800 1.0 0.0 volume 1.1544 peak 512

assign (resid 5 and name HG) (resid 5 and name HD1#)     3.400 1.6 0.0 volume 0.4819 peak 559

assign (resid 5 and name HG) (resid 5 and name HD2#)     3.400 1.6 0.0 volume 0.2888 peak 560

assign (resid 5 and name HN) (resid 5 and name HB#)     2.800 1.0 0.0 volume 0.3552 peak 35

assign (resid 5 and name HN) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.1125 peak 215

assign (resid 5 and name HN) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0976 peak 213

assign (resid 5 and name HN) (resid 5 and name HG)     3.400 1.6 0.0 volume 0.2408 peak 34

assign (resid 6 and name HB1) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0409 peak 441

assign (resid 6 and name HD1) (resid 3 and name HA)     3.400 1.6 0.0 volume 0.1461 peak 280

assign (resid 6 and name HD1) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0982 peak 244

assign (resid 6 and name HE1) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0285 peak 2

assign (resid 6 and name HN) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0431 peak 154

assign (resid 6 and name HN) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0555 peak 193

assign (resid 6 and name HN) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0702 peak 149

assign (resid 5 and name HD1#) (resid 6 and name HA)     5.000 3.2 0.0 volume 0.0812 peak 407

assign (resid 6 and name HN) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.1624 peak 157

assign (resid 6 and name HN) (resid 5 and name HB#)     3.400 1.6 0.0 volume 0.1147 peak 190

assign (resid 6 and name HN) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.058 peak 216

assign (resid 6 and name HN) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0501 peak 217

assign (resid 6 and name HN) (resid 5 and name HG)     3.400 1.6 0.0 volume 0.1386 peak 197

assign (resid 5 and name HN) (resid 6 and name HN)     2.800 1.0 0.0 volume 0.3354 peak 114

assign (resid 6 and name HZ3) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0691 peak 356

assign (resid 6 and name HB1) (resid 6 and name HA)     2.800 1.0 0.0 volume 0.2772 peak 390

assign (resid 6 and name HB1) (resid 6 and name HB2)     2.800 1.0 0.0 volume 0.8827 peak 470

assign (resid 6 and name HD1) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.2061 peak 264

assign (resid 6 and name HD1) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.2365 peak 271

assign (resid 6 and name HE1) (resid 6 and name HB1)     5.000 3.2 0.0 volume 0.0262 peak 586

assign (resid 6 and name HE1) (resid 6 and name HD1)     2.800 1.0 0.0 volume 0.7681 peak 595

assign (resid 6 and name HE3) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.1503 peak 166

assign (resid 6 and name HE3) (resid 6 and name HB2)     3.400 1.6 0.0 volume 0.2104 peak 164

assign (resid 6 and name HE1) (resid 6 and name HH2)     5.000 3.2 0.0 volume 0.0328 peak 602

assign (resid 6 and name HE3) (resid 6 and name HH2)     3.400 1.6 0.0 volume 0.2006 peak 138

assign (resid 6 and name HN) (resid 6 and name HA)     3.400 1.6 0.0 volume 0.245 peak 146

assign (resid 6 and name HN) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.2237 peak 163

assign (resid 6 and name HN) (resid 6 and name HB1)     2.800 1.0 0.0 volume 0.2867 peak 167

assign (resid 6 and name HN) (resid 6 and name HD1)     3.400 1.6 0.0 volume 0.1361 peak 128

assign (resid 6 and name HE1) (resid 6 and name HN)     5.000 3.2 0.0 volume 0.0264 peak 541

assign (resid 6 and name HD1) (resid 6 and name HZ2)     5.000 3.2 0.0 volume 0.0842 peak 588

assign (resid 6 and name HE1) (resid 6 and name HZ2)     2.800 1.0 0.0 volume 0.3178 peak 604

assign (resid 6 and name HZ3) (resid 6 and name HB2)     5.000 3.2 0.0 volume 0.0244 peak 584

assign (resid 6 and name HZ2) (resid 6 and name HZ3)     3.400 1.6 0.0 volume 0.1329 peak 292

assign (resid 7 and name HD21) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0272 peak 614

assign (resid 7 and name HN) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0403 peak 83

assign (resid 7 and name HB#) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0725 peak 398

assign (resid 7 and name HB#) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0226 peak 622

assign (resid 7 and name HD21) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.034 peak 379

assign (resid 7 and name HD22) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0495 peak 150

assign (resid 7 and name HD22) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0253 peak 623

assign (resid 7 and name HN) (resid 4 and name HA)     3.400 1.6 0.0 volume 0.171 peak 549

assign (resid 7 and name HN) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0481 peak 621

assign (resid 7 and name HD22) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0575 peak 220

assign (resid 7 and name HN) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.1519 peak 550

assign (resid 7 and name HN) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.068 peak 214

assign (resid 7 and name HN) (resid 5 and name HG)     5.000 3.2 0.0 volume 0.03423 peak 652

assign (resid 7 and name HD22) (resid 6 and name HD1)     5.000 3.2 0.0 volume 0.0569 peak 129

assign (resid 7 and name HN) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.1109 peak 57

assign (resid 7 and name HN) (resid 6 and name HD1)     5.000 3.2 0.0 volume 0.045 peak 103

assign (resid 7 and name HN) (resid 6 and name HN)     2.800 1.0 0.0 volume 0.3379 peak 115

assign (resid 7 and name HB#) (resid 7 and name HA)     2.800 1.0 0.0 volume 0.4968 peak 399

assign (resid 7 and name HD21) (resid 7 and name HB#)     3.400 1.6 0.0 volume 0.12 peak 368

assign (resid 7 and name HD22) (resid 7 and name HB#)     3.400 1.6 0.0 volume 0.1907 peak 182

assign (resid 7 and name HN) (resid 7 and name HA)     2.800 1.0 0.0 volume 0.5352 peak 545

assign (resid 7 and name HN) (resid 7 and name HB#)     2.800 1.0 0.0 volume 0.37 peak 47

assign (resid 7 and name HN) (resid 7 and name HD21)     5.000 3.2 0.0 volume 0.0295 peak 96

assign (resid 8 and name HB#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0311 peak 482

assign (resid 8 and name HB#) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.0995 peak 448

assign (resid 8 and name HE1) (resid 5 and name HA)     5.000 3.2 0.0 volume 0.0392 peak 3

assign (resid 8 and name HN) (resid 6 and name HA)     3.400 1.6 0.0 volume 0.1011 peak 574

assign (resid 7 and name HD22) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0435 peak 151

assign (resid 7 and name HN) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0508 peak 88

assign (resid 7 and name HN) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0505 peak 63

assign (resid 8 and name HD1) (resid 7 and name HB#)     5.000 3.2 0.0 volume 0.0711 peak 258

assign (resid 8 and name HN) (resid 7 and name HA)     3.400 1.6 0.0 volume 0.2702 peak 544

assign (resid 8 and name HN) (resid 7 and name HD22)     5.000 3.2 0.0 volume 0.028 peak 110

assign (resid 8 and name HN) (resid 7 and name HN)     3.400 1.6 0.0 volume 0.2697 peak 121

assign (resid 8 and name HE1) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0319 peak 4

assign (resid 8 and name HE3) (resid 8 and name HB#)     3.400 1.6 0.0 volume 0.2722 peak 265

assign (resid 8 and name HE1) (resid 8 and name HH2)     5.000 3.2 0.0 volume 0.0347 peak 601

assign (resid 8 and name HE3) (resid 8 and name HH2)     3.400 1.6 0.0 volume 0.1764 peak 301

assign (resid 8 and name HN) (resid 8 and name HA)     3.400 1.6 0.0 volume 0.181 peak 86

assign (resid 8 and name HN) (resid 8 and name HB#)     3.400 1.6 0.0 volume 0.2725 peak 58

assign (resid 8 and name HE1) (resid 8 and name HZ2)     2.800 1.0 0.0 volume 0.3199 peak 592

assign (resid 8 and name HZ2) (resid 8 and name HH2)     2.800 1.0 0.0 volume 0.8696 peak 296

assign (resid 8 and name HZ3) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0396 peak 380

assign (resid 8 and name HZ3) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0276 peak 372

assign (resid 8 and name HE3) (resid 8 and name HZ3)     2.800 1.0 0.0 volume 0.6393 peak 290

assign (resid 8 and name HZ2) (resid 8 and name HZ3)     3.400 1.6 0.0 volume 0.1542 peak 291

assign (resid 9 and name HB#) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0353 peak 499

assign (resid 5 and name HN) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0329 peak 627

assign (resid 9 and name HB#) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0481 peak 484

assign (resid 5 and name HN) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0363 peak 626

assign (resid 9 and name HD#) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.045 peak 249

assign (resid 9 and name HD#) (resid 5 and name HD1#)     3.400 1.6 0.0 volume 0.2595 peak 226

assign (resid 9 and name HD#) (resid 5 and name HG)     5.000 3.2 0.0 volume 0.0451 peak 247

assign (resid 9 and name HD#) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.031 peak 330

assign (resid 9 and name HD#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.129 peak 225

assign (resid 9 and name HE#) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.055 peak 336

assign (resid 9 and name HE#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0368 peak 347

assign (resid 9 and name HN) (resid 5 and name HA)     5.000 3.2 0.0 volume 0.0417 peak 562

assign (resid 6 and name HE3) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0372 peak 183

assign (resid 6 and name HE3) (resid 9 and name HD#)     3.400 1.6 0.0 volume 0.1592 peak 135

assign (resid 8 and name HE1) (resid 9 and name HA)     5.000 3.2 0.0 volume 0.024 peak 539

assign (resid 8 and name HE3) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0303 peak 267

assign (resid 9 and name HD#) (resid 8 and name HZ2)     3.400 1.6 0.0 volume 0.1701 peak 648

assign (resid 9 and name HN) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.03427 peak 653

assign (resid 9 and name HN) (resid 8 and name HB#)     3.400 1.6 0.0 volume 0.1444 peak 56

assign (resid 9 and name HN) (resid 8 and name HE3)     5.000 3.2 0.0 volume 0.0444 peak 104

assign (resid 8 and name HN) (resid 9 and name HN)     3.400 1.6 0.0 volume 0.224 peak 123

assign (resid 9 and name HB#) (resid 9 and name HB#)     2.800 1.0 0.0 volume 1.0035 peak 487

assign (resid 9 and name HD#) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.2399 peak 260

assign (resid 9 and name HN) (resid 9 and name HA)     3.400 1.6 0.0 volume 0.2657 peak 87

assign (resid 9 and name HN) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.273 peak 50

assign (resid 9 and name HN) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.2321 peak 55

assign (resid 10 and name HN) (resid 6 and name HA)     5.000 3.2 0.0 volume 0.038 peak 563

assign (resid 10 and name HD22) (resid 7 and name HB#)     5.000 3.2 0.0 volume 0.0284 peak 629

assign (resid 10 and name HN) (resid 7 and name HB#)     5.000 3.2 0.0 volume 0.0303 peak 628

assign (resid 8 and name HN) (resid 10 and name HB#)     5.000 3.2 0.0 volume 0.0281 peak 53

assign (resid 10 and name HN) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0539 peak 575

assign (resid 10 and name HN) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0291 peak 630

assign (resid 10 and name HN) (resid 8 and name HE3)     5.000 3.2 0.0 volume 0.0313 peak 130

assign (resid 10 and name HN) (resid 8 and name HN)     5.000 3.2 0.0 volume 0.04877 peak 654

assign (resid 10 and name HN) (resid 9 and name HA)     2.800 1.0 0.0 volume 0.367 peak 148

assign (resid 10 and name HN) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0836 peak 174

assign (resid 10 and name HN) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.1372 peak 171

assign (resid 10 and name HN) (resid 9 and name HD#)     5.000 3.2 0.0 volume 0.0917 peak 131

assign (resid 9 and name HN) (resid 10 and name HN)     2.800 1.0 0.0 volume 0.4469 peak 580

assign (resid 10 and name HD21) (resid 10 and name HA)     5.000 3.2 0.0 volume 0.0373 peak 382

assign (resid 10 and name HD21) (resid 10 and name HB#)     5.000 3.2 0.0 volume 0.0648 peak 367

assign (resid 10 and name HD22) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.132 peak 179

assign (resid 10 and name HD22) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.099 peak 178

assign (resid 10 and name HD22) (resid 10 and name HD21)     2.800 1.0 0.0 volume 2.077 peak 143

assign (resid 10 and name HN) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.2316 peak 176

assign (resid 10 and name HN) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.166 peak 175

assign (resid 10 and name HN) (resid 10 and name HD21)     5.000 3.2 0.0 volume 0.028 peak 632

assign (resid 6 and name HZ3) (resid 11 and name HG1#)     5.000 3.2 0.0 volume 0.0254 peak 360

assign (resid 7 and name HD22) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.077 peak 219

assign (resid 7 and name HD22) (resid 11 and name HG2#)     5.000 3.2 0.0 volume 0.0384 peak 218

assign (resid 11 and name HB) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.086 peak 402

assign (resid 8 and name HE3) (resid 11 and name HB)     5.000 3.2 0.0 volume 0.0336 peak 253

assign (resid 11 and name HD1#) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.089 peak 409

assign (resid 8 and name HE3) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.1405 peak 228

assign (resid 8 and name HD1) (resid 11 and name HG1#)     5.000 3.2 0.0 volume 0.0251 peak 333

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assign (resid 11 and name HN) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0544 peak 636

assign (resid 11 and name HN) (resid 9 and name HA)     5.000 3.2 0.0 volume 0.0641 peak 554

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assign (resid 11 and name HN) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.1065 peak 42

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assign (resid 11 and name HN) (resid 10 and name HN)     3.400 1.6 0.0 volume 0.1633 peak 116

assign (resid 11 and name HB) (resid 11 and name HA)     2.800 1.0 0.0 volume 0.3107 peak 453

assign (resid 11 and name HD1#) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.1961 peak 469

assign (resid 11 and name HB) (resid 11 and name HD1#)     3.400 1.6 0.0 volume 0.2677 peak 521

assign (resid 11 and name HG1#) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.146 peak 460

assign (resid 11 and name HB) (resid 11 and name HG1#)     3.400 1.6 0.0 volume 0.1054 peak 509

assign (resid 11 and name HG1#) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.1159 peak 458

assign (resid 11 and name HG1#) (resid 11 and name HG1#)     2.800 1.0 0.0 volume 0.7714 peak 513

assign (resid 11 and name HN) (resid 11 and name HA)     2.800 1.0 0.0 volume 0.2788 peak 68

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assign (resid 11 and name HN) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.0896 peak 15

assign (resid 11 and name HN) (resid 11 and name HG1#)     3.400 1.6 0.0 volume 0.1362 peak 27

assign (resid 11 and name HN) (resid 11 and name HG1#)     3.400 1.6 0.0 volume 0.1816 peak 31

assign (resid 11 and name HN) (resid 11 and name HG2#)     3.400 1.6 0.0 volume 0.2892 peak 19

assign (resid 8 and name HE1) (resid 12 and name HG2#)     5.000 3.2 0.0 volume 0.0314 peak 7

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assign (resid 12 and name HN) (resid 9 and name HA)     5.000 3.2 0.0 volume 0.0436 peak 90

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assign (resid 12 and name HN) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.1579 peak 66

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assign (resid 12 and name HN) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.0351 peak 17

assign (resid 12 and name HN) (resid 11 and name HG1#)     5.000 3.2 0.0 volume 0.0343 peak 26

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assign (resid 11 and name HN) (resid 12 and name HN)     2.800 1.0 0.0 volume 0.3106 peak 119

assign (resid 12 and name HA) (resid 12 and name HB)     3.400 1.6 0.0 volume 0.2273 peak 449

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assign (resid 12 and name HG2#) (resid 12 and name HB)     2.800 1.0 0.0 volume 0.5957 peak 422

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assign (resid 13 and name HN) (resid 13 and name HB#)     2.800 1.0 0.0 volume 0.3411 peak 46

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assign (resid 14 and name HD1) (resid 14 and name HB#)     2.800 1.0 0.0 volume 0.341 peak 272

assign (resid 14 and name HE3) (resid 14 and name HA)     3.400 1.6 0.0 volume 0.1977 peak 287

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assign (resid 14 and name HE1) (resid 14 and name HE3)     5.000 3.2 0.0 volume 0.0265 peak 599

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assign (resid 15 and name HB#) (resid 12 and name HA)     3.400 1.6 0.0 volume 0.2423 peak 454

assign (resid 15 and name HD1#) (resid 12 and name HA)     3.400 1.6 0.0 volume 0.287 peak 462

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assign (resid 15 and name HG) (resid 12 and name HA)     5.000 3.2 0.0 volume 0.089 peak 456

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assign (resid 15 and name HN) (resid 14 and name HB#)     3.400 1.6 0.0 volume 0.2361 peak 59

assign (resid 15 and name HN) (resid 14 and name HD1)     5.000 3.2 0.0 volume 0.038 peak 633

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assign (resid 15 and name HB#) (resid 15 and name HA)     2.800 1.0 0.0 volume 0.3382 peak 438

assign (resid 15 and name HG) (resid 15 and name HA)     2.800 1.0 0.0 volume 0.3926 peak 430

assign (resid 15 and name HN) (resid 15 and name HA)     2.800 1.0 0.0 volume 0.2886 peak 80

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assign (resid 15 and name HN) (resid 15 and name HG)     3.400 1.6 0.0 volume 0.212 peak 32

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assign (resid 16 and name HB#) (resid 13 and name HA)     2.800 1.0 0.0 volume 0.3314 peak 582

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assign (resid 15 and name HD1#) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.0501 peak 418

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assign (resid 16 and name HE3) (resid 15 and name HB#)     5.000 3.2 0.0 volume 0.0386 peak 255

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assign (resid 16 and name HH2) (resid 15 and name HD1#)     5.000 3.2 0.0 volume 0.0893 peak 239

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assign (resid 16 and name HN) (resid 15 and name HB#)     3.400 1.6 0.0 volume 0.1898 peak 40

assign (resid 16 and name HN) (resid 15 and name HD1#)     5.000 3.2 0.0 volume 0.0602 peak 204

assign (resid 16 and name HZ3) (resid 15 and name HB#)     5.000 3.2 0.0 volume 0.0278 peak 325

assign (resid 16 and name HB#) (resid 16 and name HA)     2.800 1.0 0.0 volume 0.6576 peak 445

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assign (resid 16 and name HE1) (resid 16 and name HB#)     5.000 3.2 0.0 volume 0.0262 peak 587

assign (resid 16 and name HE1) (resid 16 and name HD1)     2.800 1.0 0.0 volume 0.8912 peak 605

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assign (resid 16 and name HE1) (resid 16 and name HZ2)     2.800 1.0 0.0 volume 0.3053 peak 597

assign (resid 16 and name HZ2) (resid 16 and name HH2)     2.800 1.0 0.0 volume 0.9437 peak 300

assign (resid 16 and name HZ2) (resid 16 and name HZ3)     3.400 1.6 0.0 volume 0.2069 peak 302

assign (resid 17 and name HB#) (resid 14 and name HA)     5.000 3.2 0.0 volume 0.0809 peak 393

assign (resid 14 and name HD1) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.02658 peak 655

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assign (resid 17 and name HE#) (resid 14 and name HA)     5.000 3.2 0.0 volume 0.0243 peak 638

assign (resid 17 and name HN) (resid 14 and name HA)     5.000 3.2 0.0 volume 0.041 peak 578

assign (resid 15 and name HN) (resid 17 and name HN)     5.000 3.2 0.0 volume 0.0373 peak 111

assign (resid 16 and name HD1) (resid 17 and name HA)     5.000 3.2 0.0 volume 0.0408 peak 315

assign (resid 16 and name HB#) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0428 peak 472

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assign (resid 16 and name HB#) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0853 peak 471

assign (resid 16 and name HE3) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0246 peak 620

assign (resid 16 and name HN) (resid 17 and name HD#)     5.000 3.2 0.0 volume 0.022 peak 625

assign (resid 17 and name HE#) (resid 16 and name HB#)     5.000 3.2 0.0 volume 0.0297 peak 373

assign (resid 17 and name HN) (resid 16 and name HB#)     3.400 1.6 0.0 volume 0.2698 peak 162

assign (resid 17 and name HN) (resid 16 and name HD1)     5.000 3.2 0.0 volume 0.0359 peak 132

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assign (resid 16 and name HN) (resid 17 and name HN)     2.800 1.0 0.0 volume 0.2776 peak 112

assign (resid 17 and name HB#) (resid 17 and name HB#)     2.800 1.0 0.0 volume 1.0476 peak 486

assign (resid 17 and name HD#) (resid 17 and name HB#)     2.800 1.0 0.0 volume 0.3922 peak 321

assign (resid 17 and name HD#) (resid 17 and name HB#)     2.800 1.0 0.0 volume 0.4149 peak 319

assign (resid 17 and name HE#) (resid 17 and name HA)     5.000 3.2 0.0 volume 0.0567 peak 378

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assign (resid 17 and name HE#) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0509 peak 370

assign (resid 17 and name HD#) (resid 17 and name HE#)     2.800 1.0 0.0 volume 2.4281 peak 308

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assign (resid 17 and name HN) (resid 17 and name HB#)     2.800 1.0 0.0 volume 0.2994 peak 169

assign (resid 17 and name HN) (resid 17 and name HD#)     3.400 1.6 0.0 volume 0.1628 peak 134

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assign (resid 18 and name HN) (resid 17 and name HD#)     5.000 3.2 0.0 volume 0.0722 peak 133

assign (resid 18 and name HB) (resid 18 and name HA)     2.800 1.0 0.0 volume 0.3506 peak 455

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assign (resid 18 and name HG1#) (resid 18 and name HD1#)     3.400 1.6 0.0 volume 0.2606 peak 529

assign (resid 18 and name HG1#) (resid 18 and name HA)     3.400 1.6 0.0 volume 0.1169 peak 452

assign (resid 18 and name HB) (resid 18 and name HG1#)     3.400 1.6 0.0 volume 0.2546 peak 503

assign (resid 18 and name HG1#) (resid 18 and name HD1#)     3.400 1.6 0.0 volume 0.4382 peak 520

assign (resid 18 and name HG1#) (resid 18 and name HG1#)     2.800 1.0 0.0 volume 0.9933 peak 514

assign (resid 18 and name HG1#) (resid 18 and name HG2#)     3.400 1.6 0.0 volume 0.2146 peak 522

assign (resid 18 and name HN) (resid 18 and name HA)     2.800 1.0 0.0 volume 0.3329 peak 160

assign (resid 18 and name HN) (resid 18 and name HB)     2.800 1.0 0.0 volume 0.3646 peak 184

assign (resid 18 and name HN) (resid 18 and name HD1#)     5.000 3.2 0.0 volume 0.1087 peak 208

assign (resid 18 and name HN) (resid 18 and name HG1#)     3.400 1.6 0.0 volume 0.1835 peak 199

assign (resid 18 and name HN) (resid 18 and name HG1#)     3.400 1.6 0.0 volume 0.2126 peak 189

assign (resid 19 and name HE#) (resid 15 and name HD2#)     5.000 3.2 0.0 volume 0.0497 peak 498

assign (resid 19 and name HG#) (resid 15 and name HD2#)     5.000 3.2 0.0 volume 0.0904 peak 532

assign (resid 19 and name HN) (resid 15 and name HD2#)     5.000 3.2 0.0 volume 0.0439 peak 210

assign (resid 19 and name HB1) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.0643 peak 434

assign (resid 19 and name HB2) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.077 peak 435

assign (resid 18 and name HD1#) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.048 peak 413

assign (resid 19 and name HN) (resid 18 and name HA)     3.400 1.6 0.0 volume 0.2193 peak 159

assign (resid 19 and name HN) (resid 18 and name HD1#)     5.000 3.2 0.0 volume 0.0518 peak 211

assign (resid 19 and name HN) (resid 18 and name HG1#)     5.000 3.2 0.0 volume 0.0896 peak 188

assign (resid 19 and name HB1) (resid 19 and name HA)     2.800 1.0 0.0 volume 0.3187 peak 436

assign (resid 19 and name HB2) (resid 19 and name HA)     2.800 1.0 0.0 volume 0.2838 peak 437

assign (resid 19 and name HB2) (resid 19 and name HB1)     2.800 1.0 0.0 volume 1.754 peak 501

assign (resid 19 and name HD#) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.0762 peak 429

assign (resid 19 and name HD#) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.0658 peak 431

assign (resid 19 and name HG#) (resid 19 and name HA)     3.400 1.6 0.0 volume 0.1245 peak 425

assign (resid 19 and name HB1) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1957 peak 507

assign (resid 19 and name HB2) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1665 peak 506

assign (resid 19 and name HE#) (resid 19 and name HG#)     5.000 3.2 0.0 volume 0.0755 peak 494

assign (resid 19 and name HE#) (resid 19 and name HG#)     5.000 3.2 0.0 volume 0.0769 peak 493

assign (resid 19 and name HN) (resid 19 and name HA)     2.800 1.0 0.0 volume 0.4081 peak 155

assign (resid 19 and name HN) (resid 19 and name HB1)     2.800 1.0 0.0 volume 0.3701 peak 187

assign (resid 19 and name HN) (resid 19 and name HD#)     5.000 3.2 0.0 volume 0.0372 peak 191

assign (resid 19 and name HN) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1034 peak 195

assign (resid 19 and name HN) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1232 peak 194

assign (resid 19 and name HZ1) (resid 19 and name HE#)     5.000 3.2 0.0 volume 0.0846 peak 177



!restraints due to amidated C-terminus - not in noe.xpk Sept 12/00

assign (resid 19 and name HN1) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.0656 peak 313

assign (resid 19 and name HN2) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.1012 peak 312

assign (resid 19 and name HN2) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0556 peak 324

assign (resid 19 and name HN1) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0410 peak 328

assign (resid 19 and name HN1) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0346 peak 322

assign (resid 19 and name HN2) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0529 peak 323

assign (resid 19 and name HN2) (resid 18 and name HA)     5.000 3.2 0.0 volume 0.0360 peak 317

assign (resid 19 and name HN2) (resid 17 and name HA)    5.000 3.2 0.0  volume 0.0438 peak 314

assign (resid 19 and name HN1) (resid 19 and name HA)    5.000 3.2 0.0  volume 0.0656 peak 313

assign (resid 19 and name HN2) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.1012 peak 312

assign (resid 19 and name HN2) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.0380 peak 641

assign (resid 19 and name HN1) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.02617 peak 644

assign (resid 19 and name HN1) (resid 17 and name HE#)     5.000 3.2 0.0 volume 0.09290 peak 310


assign (resid 19 and name HN) (resid 19 and name HN2)
6 6 0 volume 0.2313 peak 137
or (resid 17 and name HN) (resid 19 and name HN2)
or (resid 19 and name HZ#) (resid 19 and name HN2) 

assign (resid 19 and name HN) (resid 19 and name HN1)
6 6 0 volume 0.1260 peak 136
or (resid 17 and name HN) (resid 19 and name HN1)
or (resid 19 and name HZ#) (resid 19 and name HN1) 

assign (resid 19 and name HN2) (resid 15 and name HD1#)
6 6 0 volume 0.0480 peak 341
or (resid 19 and name HN2) (resid 18 and name HG2#) 
or (resid 19 and name HN1) (resid 18 and name HG2#)
or (resid 19 and name HN1) (resid 15 and name HD1#) 


assign (resid 2 and name HZ2) (resid 2 and name HH2)
6 6 0 volume 1.4422 peak 298
or (resid 6 and name HZ2) (resid 6 and name HH2)

assign (resid 2 and name HH2) (resid 3 and name HB#)
6 6 0 volume 0.0261 peak 359
or (resid 6 and name HH2) (resid 3 and name HB#)

assign (resid 4 and name HN) (resid 1 and name HA)
6 6 0 volume 0.0803 peak 79
or (resid 8 and name HN) (resid 5 and name HA)

assign (resid 4 and name HN) (resid 4 and name HA)
6 6 0 volume 0.3977 peak 85
or (resid 8 and name HN) (resid 4 and name HA)

assign (resid 5 and name HD2#) (resid 1 and name HA)
6 6 0 volume 0.44 peak 411
or (resid 5 and name HD2#) (resid 5 and name HA)

assign (resid 5 and name HG) (resid 1 and name HA)
6 6 0 volume 0.4054 peak 426
or (resid 5 and name HG) (resid 5 and name HA)

assign (resid 2 and name HB#) (resid 5 and name HA)
6 6 0 volume 0.1065 peak 447
or (resid 2 and name HB#) (resid 1 and name HA)

assign (resid 2 and name HD1) (resid 5 and name HA)
6 6 0 volume 0.0756 peak 277
or (resid 2 and name HD1) (resid 1 and name HA)

assign (resid 2 and name HB#) (resid 5 and name HD1#)
6 6 0 volume 0.1179 peak 481
or (resid 6 and name HB#) (resid 5 and name HD1#)

assign (resid 2 and name HB#) (resid 5 and name HG)
6 6 0 volume 0.0337 peak 476
or (resid 6 and name HB#) (resid 5 and name HG)

assign (resid 4 and name HN) (resid 5 and name HD1#)
6 6 0 volume 0.053 peak 16
or (resid 8 and name HN) (resid 5 and name HD1#)
or (resid 8 and name HN) (resid 11 and name HD1#)

assign (resid 5 and name HD1#) (resid 5 and name HA)
6 6 0 volume 0.2826 peak 412
or (resid 5 and name HD1#) (resid 1 and name HA)

assign (resid 5 and name HN) (resid 5 and name HA)
6 6 0 volume 0.3959 peak 77
or (resid 5 and name HN) (resid 1 and name HA)
or (resid 16 and name HN) (resid 15 and name HA)

assign (resid 6 and name HB1) (resid 3 and name HA)
6 6 0 volume 0.0536 peak 446
or (resid 2 and name HB2) (resid 3 and name HA)

assign (resid 4 and name HN) (resid 6 and name HB1)
6 6 0 volume 0.0493 peak 60
or (resid 4 and name HN) (resid 2 and name HB2)

assign (resid 6 and name HZ3) (resid 5 and name HD1#)
6 6 0 volume 0.1084 peak 348
or (resid 8 and name HZ3) (resid 11 and name HD1#)
or (resid 6 and name HZ3) (resid 11 and name HD1#)

assign (resid 6 and name HD1) (resid 6 and name HA)
6 6 0 volume 0.1165 peak 285
or (resid 6 and name HD1) (resid 7 and name HA)

assign (resid 6 and name HE3) (resid 6 and name HA)
6 6 0 volume 0.4982 peak 145
or (resid 13 and name HD22) (resid 13 and name HA)
or (resid 6 and name HE3) (resid 7 and name HA)
or (resid 7 and name HD22) (resid 7 and name HA)
or (resid 13 and name HD22) (resid 10 and name HA)

assign (resid 6 and name HZ3) (resid 6 and name HA)
6 6 0 volume 0.0491 peak 383
or (resid 6 and name HZ3) (resid 7 and name HA)
or (resid 7 and name HD21) (resid 6 and name HA)
or (resid 7 and name HD21) (resid 7 and name HA)
or (resid 2 and name HZ3) (resid 6 and name HA)

assign (resid 7 and name HD22) (resid 7 and name HD21)
6 6 0 volume 3.477 peak 140
or (resid 6 and name HE3) (resid 6 and name HZ3)

assign (resid 7 and name HN) (resid 7 and name HD22)
6 6 0 volume 0.0873 peak 108
or (resid 7 and name HN) (resid 6 and name HE3)

assign (resid 8 and name HB#) (resid 5 and name HD1#)
6 6 0 volume 0.0546 peak 483
or (resid 8 and name HB#) (resid 11 and name HD1#)

assign (resid 8 and name HD1) (resid 5 and name HA)
6 6 0 volume 0.1971 peak 276
or (resid 9 and name HD1) (resid 5 and name HA)

assign (resid 8 and name HN) (resid 6 and name HN)
6 6 0 volume 0.039 peak 109
or (resid 4 and name HN) (resid 6 and name HN)

assign (resid 8 and name HN) (resid 7 and name HB#)
6 6 0 volume 0.0937 peak 48
or (resid 4 and name HN) (resid 7 and name HB#)

assign (resid 8 and name HB#) (resid 8 and name HA)
6 6 0 volume 0.4823 peak 391
or (resid 8 and name HB#) (resid 9 and name HA)

assign (resid 8 and name HD1) (resid 8 and name HB#)
6 6 0 volume 0.3487 peak 263
or (resid 9 and name HD1) (resid 8 and name HB#)

assign (resid 8 and name HE3) (resid 8 and name HA)
6 6 0 volume 0.2788 peak 283
or (resid 8 and name HE3) (resid 9 and name HA)

assign (resid 8 and name HD1) (resid 8 and name HE3)
6 6 0 volume 0.2443 peak 649
or (resid 16 and name HH2) (resid 8 and name HE3)
or (resid 9 and name HD2) (resid 8 and name HE3)
or (resid 9 and name HZ) (resid 2 and name HD1)

assign (resid 8 and name HN) (resid 8 and name HD1)
6 6 0 volume 0.1304 peak 101
or (resid 8 and name HN) (resid 9 and name HD1)

assign (resid 8 and name HN) (resid 8 and name HE3)
6 6 0 volume 0.0382 peak 102
or (resid 4 and name HN) (resid 2 and name HD1)

assign (resid 8 and name HH2) (resid 8 and name HZ3)
6 6 0 volume 1.8642 peak 306
or (resid 6 and name HH2) (resid 6 and name HZ3)

assign (resid 6 and name HE3) (resid 9 and name HB#)
6 6 0 volume 0.0379 peak 168
or (resid 13 and name HD22) (resid 9 and name HB#)

assign (resid 9 and name HB#) (resid 7 and name HA)
6 6 0 volume 0.0762 peak 396
or (resid 9 and name HB#) (resid 10 and name HA)
or (resid 9 and name HB#) (resid 6 and name HA)

assign (resid 9 and name HN) (resid 7 and name HA)
6 6 0 volume 0.1291 peak 551
or (resid 9 and name HN) (resid 6 and name HA)

assign (resid 9 and name HN) (resid 8 and name HD1)
6 6 0 volume 0.1534 peak 99
or (resid 9 and name HN) (resid 9 and name HD1)

assign (resid 8 and name HE1) (resid 9 and name HZ)
6 6 0 volume 0.836 peak 593
or (resid 8 and name HE1) (resid 14 and name HD1)
or (resid 8 and name HE1) (resid 8 and name HD1)
or (resid 8 and name HE1) (resid 9 and name HD1)

assign (resid 9 and name HB#) (resid 9 and name HA)
6 6 0 volume 0.2272 peak 394
or (resid 9 and name HB#) (resid 8 and name HA)

assign (resid 9 and name HB#) (resid 9 and name HA)
6 6 0 volume 0.2811 peak 395
or (resid 9 and name HB#) (resid 8 and name HA)

assign (resid 9 and name HD#) (resid 9 and name HA)
6 6 0 volume 0.3484 peak 282
or (resid 8 and name HD#) (resid 9 and name HA)

assign (resid 9 and name HD#) (resid 9 and name HB#)
6 6 0 volume 0.2687 peak 262
or (resid 8 and name HD#) (resid 9 and name HB#)

assign (resid 9 and name HD#) (resid 9 and name HE#)
6 6 0 volume 1.9025 peak 303
or (resid 8 and name HD#) (resid 9 and name HE#)

assign (resid 10 and name HN) (resid 6 and name HE3)
6 6 0 volume 0.0345 peak 127
or (resid 10 and name HN) (resid 13 and name HD22)

assign (resid 10 and name HB#) (resid 7 and name HA)
6 6 0 volume 0.4518 peak 558
or (resid 10 and name HB#) (resid 10 and name HA)

assign (resid 10 and name HN) (resid 7 and name HA)
6 6 0 volume 0.3152 peak 147
or (resid 10 and name HN) (resid 10 and name HA)

assign (resid 10 and name HB#) (resid 10 and name HB#)
6 6 0 volume 1.0654 peak 491
or (resid 10 and name HB#) (resid 13 and name HB#)

assign (resid 10 and name HD21) (resid 10 and name HB#)
6 6 0 volume 0.091 peak 366
or (resid 10 and name HD21) (resid 13 and name HB#)

assign (resid 6 and name HD1) (resid 11 and name HD1#)
6 6 0 volume 0.0289 peak 227
or (resid 6 and name HD1) (resid 5 and name HD1#)

assign (resid 6 and name HZ3) (resid 11 and name HG2#)
6 6 0 volume 0.0815 peak 349
or (resid 8 and name HZ3) (resid 11 and name HG2#)
or (resid 8 and name HZ3) (resid 15 and name HD2#)

assign (resid 11 and name HB) (resid 7 and name HA)
6 6 0 volume 0.0422 peak 577
or (resid 11 and name HB) (resid 10 and name HA)
or (resid 15 and name HB2) (resid 14 and name HA)
or (resid 15 and name HB1) (resid 14 and name HA)

assign (resid 11 and name HG2#) (resid 7 and name HA)
6 6 0 volume 0.0639 peak 406
or (resid 11 and name HG2#) (resid 10 and name HA)
or (resid 15 and name HD2#) (resid 7 and name HA)
or (resid 15 and name HD2#) (resid 10 and name HA)

assign (resid 11 and name HN) (resid 7 and name HA)
6 6 0 volume 0.5491 peak 94
or (resid 11 and name HN) (resid 10 and name HA)

assign (resid 11 and name HG2#) (resid 8 and name HA)
6 6 0 volume 0.0564 peak 408
or (resid 15 and name HD2#) (resid 8 and name HA)

assign (resid 8 and name HE3) (resid 11 and name HG2#)
6 6 0 volume 0.0748 peak 231
or (resid 14 and name HZ2) (resid 11 and name HG2#)
or (resid 14 and name HZ2) (resid 15 and name HD2#)

assign (resid 8 and name HH2) (resid 11 and name HG2#)
6 6 0 volume 0.0496 peak 342
or (resid 8 and name HH2) (resid 15 and name HD2#)
or (resid 16 and name HZ3) (resid 15 and name HD2#)

assign (resid 11 and name HN) (resid 8 and name HD1)
6 6 0 volume 0.0619 peak 634
or (resid 11 and name HN) (resid 9 and name HD1)
or (resid 11 and name HN) (resid 14 and name HD1)

assign (resid 11 and name HG2#) (resid 11 and name HA)
6 6 0 volume 0.4597 peak 466
or (resid 15 and name HD2#) (resid 11 and name HA)

assign (resid 12 and name HN) (resid 9 and name HA)
6 6 0 volume 0.0367 peak 552
or (resid 12 and name HN) (resid 8 and name HA)

assign (resid 11 and name HD1#) (resid 12 and name HA)
6 6 0 volume 0.0459 peak 468
or (resid 5 and name HD1#) (resid 4 and name HB1)

assign (resid 11 and name HG2#) (resid 12 and name HA)
6 6 0 volume 0.1832 peak 465
or (resid 15 and name HD2#) (resid 12 and name HA)

assign (resid 11 and name HG2#) (resid 12 and name HB)
6 6 0 volume 0.073 peak 416
or (resid 15 and name HD2#) (resid 19 and name HA)
or (resid 15 and name HD2#) (resid 12 and name HB)

assign (resid 12 and name HG2#) (resid 11 and name HD1#)
6 6 0 volume 0.1508 peak 535
or (resid 12 and name HG2#) (resid 5 and name HD1#)

assign (resid 12 and name HG2#) (resid 11 and name HG2#)
6 6 0 volume 0.3183 peak 534
or (resid 12 and name HG2#) (resid 15 and name HD2#)

assign (resid 12 and name HN) (resid 11 and name HG2#)
6 6 0 volume 0.2573 peak 18
or (resid 12 and name HN) (resid 15 and name HD2#)

assign (resid 13 and name HB#) (resid 10 and name HA)
6 6 0 volume 0.3573 peak 400
or (resid 10 and name HB#) (resid 7 and name HA)
or (resid 10 and name HB#) (resid 10 and name HA)

assign (resid 13 and name HN) (resid 11 and name HG2#)
6 6 0 volume 0.0741 peak 206
or (resid 13 and name HN) (resid 15 and name HD2#)

assign (resid 13 and name HN) (resid 12 and name HA)
6 6 0 volume 0.2363 peak 74
or (resid 16 and name HN) (resid 12 and name HA)

assign (resid 13 and name HB#) (resid 13 and name HA)
6 6 0 volume 0.313 peak 401
or (resid 10 and name HB#) (resid 13 and name HA)
or (resid 13 and name HB#) (resid 14 and name HA)

assign (resid 13 and name HB#) (resid 13 and name HA)
6 6 0 volume 0.3778 peak 397
or (resid 13 and name HB#) (resid 14 and name HA)

assign (resid 13 and name HD21) (resid 13 and name HB#)
6 6 0 volume 0.0688 peak 364
or (resid 13 and name HD21) (resid 10 and name HB#)

assign (resid 13 and name HN) (resid 13 and name HA)
6 6 0 volume 0.3968 peak 91
or (resid 16 and name HN) (resid 13 and name HA)
or (resid 16 and name HN) (resid 14 and name HA)

assign (resid 13 and name HN) (resid 13 and name HB#)
6 6 0 volume 0.3032 peak 45
or (resid 13 and name HN) (resid 10 and name HB#)

assign (resid 14 and name HD1) (resid 10 and name HB#)
6 6 0 volume 0.0672 peak 259
or (resid 9 and name HD2) (resid 10 and name HB#)

assign (resid 14 and name HB#) (resid 11 and name HG2#)
6 6 0 volume 0.0829 peak 477
or (resid 14 and name HB#) (resid 15 and name HD2#)
or (resid 16 and name HB#) (resid 15 and name HD2#)

assign (resid 14 and name HE3) (resid 11 and name HD1#)
6 6 0 volume 0.0872 peak 229
or (resid 6 and name HZ2) (resid 11 and name HD1#)
or (resid 2 and name HZ2) (resid 5 and name HD1#)

assign (resid 14 and name HH2) (resid 11 and name HG2#)
6 6 0 volume 0.034 peak 339
or (resid 14 and name HH2) (resid 15 and name HD2#)

assign (resid 14 and name HN) (resid 11 and name HG2#)
6 6 0 volume 0.07 peak 205
or (resid 14 and name HN) (resid 15 and name HD2#)

assign (resid 14 and name HB#) (resid 14 and name HA)
6 6 0 volume 0.6822 peak 389
or (resid 6 and name HB#) (resid 6 and name HA)

assign (resid 14 and name HD1) (resid 14 and name HA)
6 6 0 volume 0.4909 peak 284
or (resid 9 and name HD1) (resid 6 and name HA)

assign (resid 14 and name HE1) (resid 14 and name HD1)
6 6 0 volume 0.9413 peak 594
or (resid 14 and name HE1) (resid 9 and name HZ)
or (resid 14 and name HE1) (resid 16 and name HH2)
or (resid 14 and name HE1) (resid 8 and name HD1)
or (resid 14 and name HE1) (resid 9 and name HD1)

assign (resid 14 and name HN) (resid 14 and name HA)
6 6 0 volume 0.543 peak 92
or (resid 14 and name HN) (resid 13 and name HA)

assign (resid 14 and name HN) (resid 14 and name HB#)
6 6 0 volume 0.5823 peak 61
or (resid 14 and name HN) (resid 16 and name HB#)

assign (resid 14 and name HE1) (resid 14 and name HZ2)
6 6 0 volume 0.3291 peak 596
or (resid 14 and name HE1) (resid 8 and name HE3)

assign (resid 15 and name HB#) (resid 11 and name HG2#)
6 6 0 volume 1.1046 peak 519
or (resid 15 and name HB#) (resid 15 and name HD2#)
or (resid 11 and name H#) (resid 11 and name HG2#)
or (resid 11 and name H#) (resid 15 and name HD2#)

assign (resid 15 and name HG) (resid 11 and name HD1#)
6 6 0 volume 0.4724 peak 526
or (resid 5 and name HB2) (resid 5 and name HD1#)

assign (resid 14 and name HB#) (resid 15 and name HD1#)
6 6 0 volume 0.0471 peak 479
or (resid 16 and name HB#) (resid 15 and name HD1#)

assign (resid 14 and name HZ3) (resid 15 and name HD1#)
6 6 0 volume 0.0642 peak 353
or (resid 14 and name HZ3) (resid 18 and name HG2#)

assign (resid 14 and name HE1) (resid 15 and name HD2#)
6 6 0 volume 0.0259 peak 542
or (resid 14 and name HE1) (resid 11 and name HG2#)

assign (resid 14 and name HZ3) (resid 15 and name HD2#)
6 6 0 volume 0.1044 peak 350
or (resid 14 and name HZ3) (resid 11 and name HG2#)

assign (resid 15 and name HN) (resid 14 and name HA)
6 6 0 volume 0.1464 peak 93
or (resid 15 and name HN) (resid 13 and name HA)

assign (resid 15 and name HD1#) (resid 15 and name HA)
6 6 0 volume 0.3777 peak 414
or (resid 18 and name HG2#) (resid 15 and name HA)

assign (resid 15 and name HB#) (resid 15 and name HD1#)
6 6 0 volume 0.9264 peak 518
or (resid 15 and name HB#) (resid 18 and name HG2#)

assign (resid 15 and name HD2#) (resid 15 and name HA)
6 6 0 volume 0.7566 peak 420
or (resid 11 and name HG2#) (resid 15 and name HA)
or (resid 11 and name HG2#) (resid 5 and name HA)

assign (resid 15 and name HD1#) (resid 15 and name HD2#)
6 6 0 volume 4.0864 peak 536
or (resid 15 and name HD1#) (resid 11 and name HG2#)
or (resid 18 and name HG2#) (resid 15 and name HD2#)

assign (resid 15 and name HB#) (resid 15 and name HG)
6 6 0 volume 1.2764 peak 505
or (resid 11 and name H#) (resid 15 and name HG)
or (resid 19 and name HB#) (resid 15 and name HG)

assign (resid 15 and name HG) (resid 15 and name HD1#)
6 6 0 volume 0.4281 peak 523
or (resid 15 and name HG) (resid 18 and name HG2#)

assign (resid 15 and name HG) (resid 15 and name HD2#)
6 6 0 volume 0.4195 peak 524
or (resid 15 and name HG) (resid 11 and name HG2#)
or (resid 11 and name HG12) (resid 15 and name HD2#)
or (resid 11 and name HG12) (resid 11 and name HG2#)

assign (resid 15 and name HN) (resid 15 and name HD2#)
6 6 0 volume 0.1965 peak 20
or (resid 15 and name HN) (resid 11 and name HG2#)

assign (resid 14 and name HN) (resid 16 and name HN)
6 6 0 volume 0.8545 peak 556
or (resid 14 and name HN) (resid 13 and name HN)

assign (resid 16 and name HN) (resid 15 and name HG)
6 6 0 volume 0.1359 peak 196
or (resid 13 and name HN) (resid 15 and name HG)

assign (resid 15 and name HN) (resid 16 and name HN)
6 6 0 volume 0.2866 peak 117
or (resid 15 and name HN) (resid 13 and name HN)

assign (resid 16 and name HN) (resid 16 and name HB#)
6 6 0 volume 0.7773 peak 62
or (resid 5 and name HN) (resid 2 and name HB#)
or (resid 16 and name HN) (resid 14 and name HB#)

assign (resid 16 and name HE3) (resid 16 and name HZ3)
6 6 0 volume 0.9603 peak 297
or (resid 16 and name HE3) (resid 8 and name HH2)

assign (resid 16 and name HH2) (resid 16 and name HZ3)
6 6 0 volume 0.9809 peak 299
or (resid 9 and name HD1) (resid 2 and name HH2)

assign (resid 17 and name HD#) (resid 11 and name HG2#)
6 6 0 volume 0.0324 peak 345
or (resid 17 and name HD#) (resid 15 and name HD2#)

assign (resid 17 and name HB#) (resid 14 and name HA)
6 6 0 volume 0.1732 peak 392
or (resid 9 and name HB#) (resid 6 and name HA)

assign (resid 17 and name HD#) (resid 16 and name HB#)
6 6 0 volume 0.0561 peak 320
or (resid 17 and name HD#) (resid 14 and name HB#)

assign (resid 17 and name HN) (resid 16 and name HA)
6 6 0 volume 0.168 peak 152
or (resid 19 and name HN) (resid 16 and name HA)

assign (resid 17 and name HB#) (resid 17 and name HA)
6 6 0 volume 0.3318 peak 443
or (resid 17 and name HB#) (resid 15 and name HA)

assign (resid 17 and name HB#) (resid 17 and name HA)
6 6 0 volume 0.2958 peak 442
or (resid 9 and name HB#) (resid 5 and name HA)

assign (resid 17 and name HD#) (resid 17 and name HA)
6 6 0 volume 0.4284 peak 624
or (resid 17 and name HD#) (resid 15 and name HA)

assign (resid 17 and name HN) (resid 17 and name HA)
6 6 0 volume 0.3558 peak 156
or (resid 17 and name HN) (resid 15 and name HA)
or (resid 19 and name HN) (resid 17 and name HA)
or (resid 19 and name HN) (resid 15 and name HA)

assign (resid 18 and name HB) (resid 15 and name HA)
6 6 0 volume 0.1802 peak 440
or (resid 18 and name HB) (resid 17 and name HA)

assign (resid 18 and name HN) (resid 15 and name HD2#)
6 6 0 volume 0.0319 peak 209
or (resid 18 and name HN) (resid 11 and name HG2#)

assign (resid 18 and name HG1#) (resid 17 and name HA)
6 6 0 volume 0.1721 peak 423
or (resid 1 and name HG#) (resid 5 and name HA)
or (resid 18 and name HG1#) (resid 15 and name HA)
or (resid 1 and name HG#) (resid 1 and name HA)

assign (resid 17 and name HB#) (resid 18 and name HG2#)
6 6 0 volume 0.0378 peak 500
or (resid 17 and name HB#) (resid 15 and name HD1#)

assign (resid 17 and name HB#) (resid 18 and name HG2#)
6 6 0 volume 0.0422 peak 485
or (resid 17 and name HB#) (resid 15 and name HD1#)
or (resid 9 and name HB#) (resid 15 and name HD1#)

assign (resid 18 and name HN) (resid 17 and name HA)
6 6 0 volume 0.1981 peak 158
or (resid 18 and name HN) (resid 15 and name HA)

assign (resid 18 and name HN) (resid 17 and name HN)
6 6 0 volume 0.643 peak 125
or (resid 18 and name HN) (resid 19 and name HN)

assign (resid 18 and name HG2#) (resid 18 and name HA)
6 6 0 volume 0.5505 peak 463
or (resid 15 and name HD1#) (resid 18 and name HA)

assign (resid 18 and name HB) (resid 18 and name HG2#)
6 6 0 volume 0.6423 peak 515
or (resid 18 and name HB) (resid 15 and name HD1#)

assign (resid 18 and name HG1#) (resid 18 and name HG2#)
6 6 0 volume 0.3442 peak 528
or (resid 18 and name HG1#) (resid 15 and name HD1#)

assign (resid 18 and name HN) (resid 18 and name HG2#)
6 6 0 volume 0.259 peak 207
or (resid 18 and name HN) (resid 15 and name HD1#)

assign (resid 15 and name HD1#) (resid 19 and name HA)
6 6 0 volume 0.1688 peak 415
or (resid 18 and name HG2#) (resid 19 and name HA)
or (resid 15 and name HD1#) (resid 12 and name HB)

assign (resid 19 and name HE#) (resid 15 and name HB#)
6 6 0 volume 0.0499 peak 492
or (resid 19 and name HE#) (resid 19 and name HB#)

assign (resid 19 and name HE#) (resid 15 and name HD1#)
6 6 0 volume 0.0538 peak 497
or (resid 19 and name HE#) (resid 18 and name HG2#)

assign (resid 19 and name HG#) (resid 18 and name HG2#)
6 6 0 volume 0.1141 peak 531
or (resid 19 and name HG#) (resid 15 and name HD1#)

assign (resid 19 and name HN) (resid 18 and name HB)
6 6 0 volume 0.2122 peak 185
or (resid 17 and name HN) (resid 18 and name HB)

assign (resid 19 and name HN) (resid 18 and name HG1#)
6 6 0 volume 0.0569 peak 198
or (resid 17 and name HN) (resid 18 and name HG1#)

assign (resid 19 and name HN) (resid 18 and name HG2#)
6 6 0 volume 0.2121 peak 212
or (resid 19 and name HN) (resid 15 and name HD1#)

assign (resid 19 and name HE#) (resid 19 and name HA)
6 6 0 volume 0.0301 peak 444
or (resid 10 and name HB#) (resid 12 and name HB)

assign (resid 19 and name HD#) (resid 19 and name HG#)
6 6 0 volume 0.392 peak 511
or (resid 1 and name HD#) (resid 3 and name HB#)

assign (resid 19 and name HG#) (resid 19 and name HA)
6 6 0 volume 0.1107 peak 427
or (resid 11 and name HG1#) (resid 12 and name HB)

assign (resid 19 and name HN) (resid 19 and name HB2)
6 6 0 volume 0.2484 peak 186
or (resid 19 and name HN) (resid 15 and name HB2)


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          HT1       LYS   1  17.813  -0.549   3.262
    2   2H    LYS   1          HT2       LYS   1  17.237   0.990   3.662
    3   3H    LYS   1          HT3       LYS   1  18.798   0.809   3.037
    4    HA   LYS   1           HA       LYS   1  17.986   1.204   1.038
    5   1HB   LYS   1          HB2       LYS   1  17.231  -1.520   1.752
    6   2HB   LYS   1          HB1       LYS   1  16.187  -0.850   0.505
    7   1HG   LYS   1          HG2       LYS   1  19.005  -0.330   0.010
    8   2HG   LYS   1          HG1       LYS   1  18.626  -2.050   0.108
    9   1HD   LYS   1          HD2       LYS   1  16.584  -0.833  -1.419
   10   2HD   LYS   1          HD1       LYS   1  18.122  -0.216  -2.024
   11   1HE   LYS   1          HE2       LYS   1  18.760  -2.799  -1.822
   12   2HE   LYS   1          HE1       LYS   1  17.022  -2.968  -2.064
   13   1HZ   LYS   1          HZ1       LYS   1  18.928  -1.564  -3.857
   14   2HZ   LYS   1          HZ2       LYS   1  17.250  -1.587  -4.073
   15   3HZ   LYS   1          HZ3       LYS   1  18.135  -3.025  -4.171
   16    H    TRP   2           HN       TRP   2  15.634   0.825  -0.292
   17    HA   TRP   2           HA       TRP   2  13.786   2.541   1.222
   18   1HB   TRP   2          HB2       TRP   2  12.887   3.153  -1.040
   19   2HB   TRP   2          HB1       TRP   2  14.565   3.621  -0.780
   20    HD1  TRP   2           HD1      TRP   2  16.442   2.281  -2.166
   21    HE1  TRP   2           HE1      TRP   2  16.297   0.894  -4.330
   22    HE3  TRP   2           HE3      TRP   2  11.381   1.584  -2.349
   23    HZ2  TRP   2           HZ2      TRP   2  14.302  -0.334  -5.905
   24    HZ3  TRP   2           HZ3      TRP   2  10.434   0.291  -4.216
   25    HH2  TRP   2           HH2      TRP   2  11.866  -0.646  -5.957
   26    H    ALA   3           HN       ALA   3  14.062  -0.511   1.077
   27    HA   ALA   3           HA       ALA   3  11.630  -1.393  -0.174
   28   1HB   ALA   3          HB1       ALA   3  12.517  -3.427   0.030
   29   2HB   ALA   3          HB2       ALA   3  12.749  -3.236   1.767
   30   3HB   ALA   3          HB3       ALA   3  13.964  -2.627   0.644
   31    H    SER   4           HN       SER   4  11.366   0.682   1.879
   32    HA   SER   4           HA       SER   4   9.533  -0.754   3.677
   33   1HB   SER   4          HB2       SER   4  11.438   1.481   4.384
   34   2HB   SER   4          HB1       SER   4  10.093   0.995   5.416
   35    HG   SER   4           HG       SER   4  11.145  -1.218   5.097
   36    H    LEU   5           HN       LEU   5   8.723   0.326   1.268
   37    HA   LEU   5           HA       LEU   5   6.950   2.451   2.212
   38   1HB   LEU   5          HB2       LEU   5   7.282   3.811   0.265
   39   2HB   LEU   5          HB1       LEU   5   8.837   3.527   1.023
   40    HG   LEU   5           HG       LEU   5   8.853   1.526  -0.780
   41   1HD1  LEU   5          HD11      LEU   5   6.673   2.162  -1.705
   42   2HD1  LEU   5          HD12      LEU   5   7.965   2.325  -2.895
   43   3HD1  LEU   5          HD13      LEU   5   7.313   3.758  -2.099
   44   1HD2  LEU   5          HD21      LEU   5  10.694   2.946  -0.656
   45   2HD2  LEU   5          HD22      LEU   5   9.728   4.384  -0.988
   46   3HD2  LEU   5          HD23      LEU   5  10.064   3.229  -2.279
   47    H    TRP   6           HN       TRP   6   7.632  -0.216   0.110
   48    HA   TRP   6           HA       TRP   6   5.175  -0.057  -1.363
   49   1HB   TRP   6          HB2       TRP   6   5.874  -1.999  -2.484
   50   2HB   TRP   6          HB1       TRP   6   7.373  -1.153  -2.121
   51    HD1  TRP   6           HD1      TRP   6   9.102  -2.359  -0.546
   52    HE1  TRP   6           HE1      TRP   6   9.225  -4.724   0.464
   53    HE3  TRP   6           HE3      TRP   6   4.332  -3.912  -1.528
   54    HZ2  TRP   6           HZ2      TRP   6   7.523  -6.953   0.802
   55    HZ3  TRP   6           HZ3      TRP   6   3.657  -6.171  -0.829
   56    HH2  TRP   6           HH2      TRP   6   5.222  -7.661   0.310
   57    H    ASN   7           HN       ASN   7   6.241  -1.581   1.581
   58    HA   ASN   7           HA       ASN   7   4.369  -3.590   1.902
   59   1HB   ASN   7          HB2       ASN   7   4.647  -2.445   4.448
   60   2HB   ASN   7          HB1       ASN   7   5.568  -3.788   3.780
   61   1HD2  ASN   7          HD21      ASN   7   5.467  -0.245   3.696
   62   2HD2  ASN   7          HD22      ASN   7   7.180  -0.025   3.747
   63    H    TRP   8           HN       TRP   8   3.983  -0.161   2.177
   64    HA   TRP   8           HA       TRP   8   1.196  -0.536   3.034
   65   1HB   TRP   8          HB2       TRP   8   1.339   1.329   4.304
   66   2HB   TRP   8          HB1       TRP   8   3.072   1.043   4.206
   67    HD1  TRP   8           HD1      TRP   8   4.505   2.708   2.715
   68    HE1  TRP   8           HE1      TRP   8   3.989   5.031   1.722
   69    HE3  TRP   8           HE3      TRP   8  -0.561   2.707   3.280
   70    HZ2  TRP   8           HZ2      TRP   8   1.714   6.646   1.242
   71    HZ3  TRP   8           HZ3      TRP   8  -1.841   4.665   2.533
   72    HH2  TRP   8           HH2      TRP   8  -0.727   6.598   1.535
   73    H    PHE   9           HN       PHE   9   3.271   0.664   0.541
   74    HA   PHE   9           HA       PHE   9   1.502   2.359  -0.819
   75   1HB   PHE   9          HB2       PHE   9   4.053   1.820  -1.190
   76   2HB   PHE   9          HB1       PHE   9   3.426   0.637  -2.332
   77    HD1  PHE   9           HD1      PHE   9   2.860   1.280  -4.491
   78    HD2  PHE   9           HD2      PHE   9   3.290   4.246  -1.469
   79    HE1  PHE   9           HE1      PHE   9   2.655   3.043  -6.196
   80    HE2  PHE   9           HE2      PHE   9   3.083   6.013  -3.169
   81    HZ   PHE   9           HZ       PHE   9   2.765   5.412  -5.536
   82    H    ASN  10           HN       ASN  10   1.714  -1.101  -0.638
   83    HA   ASN  10           HA       ASN  10  -0.051  -1.509  -2.897
   84   1HB   ASN  10          HB2       ASN  10   0.606  -3.677  -2.841
   85   2HB   ASN  10          HB1       ASN  10   1.896  -3.064  -1.813
   86   1HD2  ASN  10          HD21      ASN  10   1.136  -2.853   0.569
   87   2HD2  ASN  10          HD22      ASN  10   0.344  -4.250   1.205
   88    H    ILE  11           HN       ILE  11  -0.315  -0.888   0.408
   89    HA   ILE  11           HA       ILE  11  -2.763  -2.264   0.930
   90    HB   ILE  11           HB       ILE  11  -1.617   0.117   2.396
   91   1HG1  ILE  11          HG12      ILE  11  -1.222  -2.852   2.830
   92   2HG1  ILE  11          HG11      ILE  11   0.010  -1.687   2.354
   93   1HG2  ILE  11          HG21      ILE  11  -3.853  -0.097   3.059
   94   2HG2  ILE  11          HG22      ILE  11  -2.944  -0.958   4.301
   95   3HG2  ILE  11          HG23      ILE  11  -3.783  -1.859   3.038
   96   1HD1  ILE  11          HD11      ILE  11  -1.463  -1.620   4.977
   97   2HD1  ILE  11          HD12      ILE  11  -0.090  -0.623   4.496
   98   3HD1  ILE  11          HD13      ILE  11   0.120  -2.358   4.731
   99    H    THR  12           HN       THR  12  -1.895   0.873  -0.333
  100    HA   THR  12           HA       THR  12  -4.470   2.068  -0.070
  101    HB   THR  12           HB       THR  12  -3.312   3.409  -2.162
  102    HG1  THR  12           HG1      THR  12  -1.150   3.318  -1.983
  103   1HG2  THR  12          HG21      THR  12  -2.184   4.634   0.015
  104   2HG2  THR  12          HG22      THR  12  -3.510   3.726   0.741
  105   3HG2  THR  12          HG23      THR  12  -3.836   4.883  -0.549
  106    H    ASN  13           HN       ASN  13  -3.610  -0.537  -1.794
  107    HA   ASN  13           HA       ASN  13  -5.075   0.113  -4.228
  108   1HB   ASN  13          HB2       ASN  13  -3.642  -2.431  -3.433
  109   2HB   ASN  13          HB1       ASN  13  -4.327  -2.088  -5.019
  110   1HD2  ASN  13          HD21      ASN  13  -3.503   0.715  -4.941
  111   2HD2  ASN  13          HD22      ASN  13  -1.798   0.717  -5.222
  112    H    TRP  14           HN       TRP  14  -5.245  -2.213  -1.531
  113    HA   TRP  14           HA       TRP  14  -7.897  -3.029  -2.425
  114   1HB   TRP  14          HB2       TRP  14  -7.651  -4.521  -0.263
  115   2HB   TRP  14          HB1       TRP  14  -6.843  -4.954  -1.764
  116    HD1  TRP  14           HD1      TRP  14  -4.146  -4.221  -1.874
  117    HE1  TRP  14           HE1      TRP  14  -2.402  -4.285   0.005
  118    HE3  TRP  14           HE3      TRP  14  -7.294  -4.304   2.148
  119    HZ2  TRP  14           HZ2      TRP  14  -2.359  -4.369   2.829
  120    HZ3  TRP  14           HZ3      TRP  14  -6.321  -4.380   4.405
  121    HH2  TRP  14           HH2      TRP  14  -3.903  -4.413   4.737
  122    H    LEU  15           HN       LEU  15  -6.363  -1.340   0.273
  123    HA   LEU  15           HA       LEU  15  -8.639  -1.138   1.906
  124   1HB   LEU  15          HB2       LEU  15  -7.368   0.155   3.253
  125   2HB   LEU  15          HB1       LEU  15  -6.073  -0.436   2.235
  126    HG   LEU  15           HG       LEU  15  -6.610   1.729   0.836
  127   1HD1  LEU  15          HD11      LEU  15  -7.420   3.561   2.086
  128   2HD1  LEU  15          HD12      LEU  15  -7.384   2.644   3.593
  129   3HD1  LEU  15          HD13      LEU  15  -8.570   2.248   2.348
  130   1HD2  LEU  15          HD21      LEU  15  -4.483   1.180   1.941
  131   2HD2  LEU  15          HD22      LEU  15  -5.119   1.825   3.454
  132   3HD2  LEU  15          HD23      LEU  15  -4.880   2.893   2.071
  133    H    TRP  16           HN       TRP  16  -7.548   0.710  -0.860
  134    HA   TRP  16           HA       TRP  16  -9.399   2.848  -0.625
  135   1HB   TRP  16          HB2       TRP  16  -7.297   2.142  -2.361
  136   2HB   TRP  16          HB1       TRP  16  -8.733   2.240  -3.374
  137    HD1  TRP  16           HD1      TRP  16  -9.117   4.564  -4.342
  138    HE1  TRP  16           HE1      TRP  16  -8.529   6.977  -3.662
  139    HE3  TRP  16           HE3      TRP  16  -6.828   3.614   0.130
  140    HZ2  TRP  16           HZ2      TRP  16  -7.260   8.300  -1.517
  141    HZ3  TRP  16           HZ3      TRP  16  -5.952   5.509   1.432
  142    HH2  TRP  16           HH2      TRP  16  -6.164   7.801   0.624
  143    H    TYR  17           HN       TYR  17  -9.550  -0.389  -1.786
  144    HA   TYR  17           HA       TYR  17 -12.027  -0.060  -3.231
  145   1HB   TYR  17          HB2       TYR  17 -11.063  -1.840  -4.233
  146   2HB   TYR  17          HB1       TYR  17 -10.006  -2.143  -2.861
  147    HD1  TYR  17           HD1      TYR  17 -10.548  -3.805  -1.225
  148    HD2  TYR  17           HD2      TYR  17 -13.310  -2.867  -4.323
  149    HE1  TYR  17           HE1      TYR  17 -11.853  -5.812  -0.661
  150    HE2  TYR  17           HE2      TYR  17 -14.624  -4.869  -3.765
  151    HH   TYR  17           HH       TYR  17 -14.746  -6.703  -2.518
  152    H    ILE  18           HN       ILE  18 -10.982  -0.833  -0.034
  153    HA   ILE  18           HA       ILE  18 -13.374  -2.123   0.845
  154    HB   ILE  18           HB       ILE  18 -11.220  -0.765   2.477
  155   1HG1  ILE  18          HG12      ILE  18 -11.559  -3.723   1.973
  156   2HG1  ILE  18          HG11      ILE  18 -10.544  -2.706   0.956
  157   1HG2  ILE  18          HG21      ILE  18 -13.459  -2.629   3.245
  158   2HG2  ILE  18          HG22      ILE  18 -13.179  -0.983   3.813
  159   3HG2  ILE  18          HG23      ILE  18 -12.080  -2.278   4.287
  160   1HD1  ILE  18          HD11      ILE  18 -10.098  -3.706   3.688
  161   2HD1  ILE  18          HD12      ILE  18  -9.564  -2.056   3.364
  162   3HD1  ILE  18          HD13      ILE  18  -8.951  -3.389   2.386
  163    H    LYS  19           HN       LYS  19 -11.999   1.084   1.597
  164    HA   LYS  19           HA       LYS  19 -14.486   2.016   2.692
  165   1HB   LYS  19          HB2       LYS  19 -11.811   3.285   2.169
  166   2HB   LYS  19          HB1       LYS  19 -13.191   4.252   2.671
  167   1HG   LYS  19          HG2       LYS  19 -13.399   2.874   4.695
  168   2HG   LYS  19          HG1       LYS  19 -11.977   1.956   4.194
  169   1HD   LYS  19          HD2       LYS  19 -11.034   4.494   4.036
  170   2HD   LYS  19          HD1       LYS  19 -12.179   4.645   5.370
  171   1HE   LYS  19          HE2       LYS  19  -9.732   3.998   5.888
  172   2HE   LYS  19          HE1       LYS  19 -11.036   3.126   6.695
  173   1HZ   LYS  19          HZ1       LYS  19 -10.787   1.310   5.179
  174   2HZ   LYS  19          HZ2       LYS  19  -9.253   1.673   5.794
  175   3HZ   LYS  19          HZ3       LYS  19  -9.675   2.164   4.231
  176   1HN   NH2  20          HN1       LYS  19 -12.660   2.958  -0.346
  177   2HN   NH2  20          HN2       LYS  19 -13.779   4.243  -0.629
  Start of MODEL    2
    1   1H    LYS   1          HT1       LYS   1  16.930  -2.751  -4.261
    2   2H    LYS   1          HT2       LYS   1  18.373  -1.908  -3.997
    3   3H    LYS   1          HT3       LYS   1  17.168  -1.235  -4.973
    4    HA   LYS   1           HA       LYS   1  17.461  -1.189  -2.123
    5   1HB   LYS   1          HB2       LYS   1  16.572   0.447  -4.341
    6   2HB   LYS   1          HB1       LYS   1  15.425   0.527  -3.010
    7   1HG   LYS   1          HG2       LYS   1  18.334   0.864  -2.457
    8   2HG   LYS   1          HG1       LYS   1  17.412   2.203  -3.145
    9   1HD   LYS   1          HD2       LYS   1  16.275   2.574  -1.233
   10   2HD   LYS   1          HD1       LYS   1  16.139   0.854  -0.862
   11   1HE   LYS   1          HE2       LYS   1  17.702   1.142   0.693
   12   2HE   LYS   1          HE1       LYS   1  18.856   1.449  -0.603
   13   1HZ   LYS   1          HZ1       LYS   1  17.784   3.839  -0.427
   14   2HZ   LYS   1          HZ2       LYS   1  19.078   3.368   0.553
   15   3HZ   LYS   1          HZ3       LYS   1  17.501   3.336   1.164
   16    H    TRP   2           HN       TRP   2  15.365  -0.729  -0.853
   17    HA   TRP   2           HA       TRP   2  13.373  -2.794  -1.527
   18   1HB   TRP   2          HB2       TRP   2  13.071  -3.199   0.859
   19   2HB   TRP   2          HB1       TRP   2  14.758  -3.432   0.414
   20    HD1  TRP   2           HD1      TRP   2  16.493  -1.457   1.183
   21    HE1  TRP   2           HE1      TRP   2  16.400   0.132   3.205
   22    HE3  TRP   2           HE3      TRP   2  11.540  -1.930   2.365
   23    HZ2  TRP   2           HZ2      TRP   2  14.482   1.060   5.054
   24    HZ3  TRP   2           HZ3      TRP   2  10.657  -0.657   4.276
   25    HH2  TRP   2           HH2      TRP   2  12.100   0.808   5.593
   26    H    ALA   3           HN       ALA   3  13.669   0.296  -1.797
   27    HA   ALA   3           HA       ALA   3  11.458   1.295  -0.247
   28   1HB   ALA   3          HB1       ALA   3  13.104   2.531  -2.448
   29   2HB   ALA   3          HB2       ALA   3  13.254   2.805  -0.713
   30   3HB   ALA   3          HB3       ALA   3  11.826   3.376  -1.575
   31    H    SER   4           HN       SER   4  10.932  -0.941  -2.083
   32    HA   SER   4           HA       SER   4   8.847   0.350  -3.710
   33   1HB   SER   4          HB2       SER   4   9.728  -2.237  -4.738
   34   2HB   SER   4          HB1       SER   4   9.506  -0.706  -5.585
   35    HG   SER   4           HG       SER   4  11.754  -1.393  -3.990
   36    H    LEU   5           HN       LEU   5   8.805  -0.823  -0.992
   37    HA   LEU   5           HA       LEU   5   6.699  -2.815  -1.487
   38   1HB   LEU   5          HB2       LEU   5   7.391  -4.075   0.461
   39   2HB   LEU   5          HB1       LEU   5   8.714  -3.953  -0.681
   40    HG   LEU   5           HG       LEU   5   9.335  -1.867   0.880
   41   1HD1  LEU   5          HD11      LEU   5   8.623  -3.608   3.095
   42   2HD1  LEU   5          HD12      LEU   5   7.214  -2.938   2.272
   43   3HD1  LEU   5          HD13      LEU   5   8.449  -1.861   2.925
   44   1HD2  LEU   5          HD21      LEU   5  11.027  -3.372   0.587
   45   2HD2  LEU   5          HD22      LEU   5  10.014  -4.758   0.992
   46   3HD2  LEU   5          HD23      LEU   5  10.621  -3.707   2.271
   47    H    TRP   6           HN       TRP   6   7.598   0.108  -0.089
   48    HA   TRP   6           HA       TRP   6   5.500  -0.003   1.942
   49   1HB   TRP   6          HB2       TRP   6   6.509   1.788   3.005
   50   2HB   TRP   6          HB1       TRP   6   7.898   0.979   2.291
   51    HD1  TRP   6           HD1      TRP   6   9.346   2.344   0.606
   52    HE1  TRP   6           HE1      TRP   6   9.262   4.757  -0.286
   53    HE3  TRP   6           HE3      TRP   6   4.730   3.698   2.344
   54    HZ2  TRP   6           HZ2      TRP   6   7.476   6.945  -0.259
   55    HZ3  TRP   6           HZ3      TRP   6   3.905   5.964   1.864
   56    HH2  TRP   6           HH2      TRP   6   5.253   7.556   0.592
   57    H    ASN   7           HN       ASN   7   6.344   1.648  -1.045
   58    HA   ASN   7           HA       ASN   7   4.419   3.644  -1.070
   59   1HB   ASN   7          HB2       ASN   7   4.537   2.928  -3.710
   60   2HB   ASN   7          HB1       ASN   7   5.691   3.985  -2.901
   61   1HD2  ASN   7          HD21      ASN   7   5.101   0.489  -3.118
   62   2HD2  ASN   7          HD22      ASN   7   6.738   0.065  -3.470
   63    H    TRP   8           HN       TRP   8   4.035   0.252  -1.371
   64    HA   TRP   8           HA       TRP   8   1.266   0.584  -2.300
   65   1HB   TRP   8          HB2       TRP   8   1.411  -1.406  -3.375
   66   2HB   TRP   8          HB1       TRP   8   3.137  -1.070  -3.317
   67    HD1  TRP   8           HD1      TRP   8   4.619  -2.553  -1.678
   68    HE1  TRP   8           HE1      TRP   8   4.163  -4.790  -0.479
   69    HE3  TRP   8           HE3      TRP   8  -0.441  -2.737  -2.238
   70    HZ2  TRP   8           HZ2      TRP   8   1.932  -6.416   0.145
   71    HZ3  TRP   8           HZ3      TRP   8  -1.668  -4.649  -1.318
   72    HH2  TRP   8           HH2      TRP   8  -0.509  -6.457  -0.149
   73    H    PHE   9           HN       PHE   9   3.213  -0.257   0.393
   74    HA   PHE   9           HA       PHE   9   1.378  -1.874   1.813
   75   1HB   PHE   9          HB2       PHE   9   3.966  -1.119   2.206
   76   2HB   PHE   9          HB1       PHE   9   3.145  -0.136   3.413
   77    HD1  PHE   9           HD1      PHE   9   2.144  -1.124   5.344
   78    HD2  PHE   9           HD2      PHE   9   3.882  -3.562   2.319
   79    HE1  PHE   9           HE1      PHE   9   2.056  -3.061   6.860
   80    HE2  PHE   9           HE2      PHE   9   3.796  -5.503   3.829
   81    HZ   PHE   9           HZ       PHE   9   2.882  -5.254   6.102
   82    H    ASN  10           HN       ASN  10   1.687   1.547   1.342
   83    HA   ASN  10           HA       ASN  10  -0.213   2.180   3.449
   84   1HB   ASN  10          HB2       ASN  10   0.149   4.515   2.795
   85   2HB   ASN  10          HB1       ASN  10   1.687   3.697   3.053
   86   1HD2  ASN  10          HD21      ASN  10  -0.529   4.935   0.647
   87   2HD2  ASN  10          HD22      ASN  10   0.624   5.044  -0.636
   88    H    ILE  11           HN       ILE  11  -0.375   1.018   0.382
   89    HA   ILE  11           HA       ILE  11  -2.682   2.535  -0.504
   90    HB   ILE  11           HB       ILE  11  -1.398   0.093  -1.737
   91   1HG1  ILE  11          HG12      ILE  11  -1.039   3.051  -2.265
   92   2HG1  ILE  11          HG11      ILE  11   0.189   1.907  -1.727
   93   1HG2  ILE  11          HG21      ILE  11  -3.898   1.106  -2.220
   94   2HG2  ILE  11          HG22      ILE  11  -2.950   0.137  -3.348
   95   3HG2  ILE  11          HG23      ILE  11  -2.920   1.897  -3.455
   96   1HD1  ILE  11          HD11      ILE  11  -0.451   0.731  -4.015
   97   2HD1  ILE  11          HD12      ILE  11   0.736   2.032  -3.921
   98   3HD1  ILE  11          HD13      ILE  11  -0.916   2.380  -4.433
   99    H    THR  12           HN       THR  12  -1.957  -0.500   1.043
  100    HA   THR  12           HA       THR  12  -4.453  -1.776   0.588
  101    HB   THR  12           HB       THR  12  -3.603  -2.889   2.925
  102    HG1  THR  12           HG1      THR  12  -1.324  -2.911   2.848
  103   1HG2  THR  12          HG21      THR  12  -4.061  -3.999   0.742
  104   2HG2  THR  12          HG22      THR  12  -2.640  -4.633   1.571
  105   3HG2  THR  12          HG23      THR  12  -2.447  -3.528   0.211
  106    H    ASN  13           HN       ASN  13  -3.897   1.015   2.162
  107    HA   ASN  13           HA       ASN  13  -5.679   0.535   4.417
  108   1HB   ASN  13          HB2       ASN  13  -3.820   2.715   3.603
  109   2HB   ASN  13          HB1       ASN  13  -5.199   3.157   4.605
  110   1HD2  ASN  13          HD21      ASN  13  -2.216   1.409   4.440
  111   2HD2  ASN  13          HD22      ASN  13  -2.069   1.088   6.131
  112    H    TRP  14           HN       TRP  14  -5.574   2.471   1.437
  113    HA   TRP  14           HA       TRP  14  -8.360   3.248   1.871
  114   1HB   TRP  14          HB2       TRP  14  -7.868   4.560  -0.352
  115   2HB   TRP  14          HB1       TRP  14  -7.283   5.165   1.192
  116    HD1  TRP  14           HD1      TRP  14  -4.596   4.491   1.720
  117    HE1  TRP  14           HE1      TRP  14  -2.623   4.515   0.078
  118    HE3  TRP  14           HE3      TRP  14  -7.195   4.267  -2.674
  119    HZ2  TRP  14           HZ2      TRP  14  -2.217   4.453  -2.717
  120    HZ3  TRP  14           HZ3      TRP  14  -5.939   4.256  -4.789
  121    HH2  TRP  14           HH2      TRP  14  -3.500   4.348  -4.808
  122    H    LEU  15           HN       LEU  15  -6.331   1.461  -0.395
  123    HA   LEU  15           HA       LEU  15  -8.293   0.944  -2.330
  124   1HB   LEU  15          HB2       LEU  15  -6.716  -0.313  -3.333
  125   2HB   LEU  15          HB1       LEU  15  -5.658   0.400  -2.135
  126    HG   LEU  15           HG       LEU  15  -6.366  -1.715  -0.729
  127   1HD1  LEU  15          HD11      LEU  15  -7.075  -3.557  -1.869
  128   2HD1  LEU  15          HD12      LEU  15  -6.371  -3.020  -3.394
  129   3HD1  LEU  15          HD13      LEU  15  -7.877  -2.304  -2.817
  130   1HD2  LEU  15          HD21      LEU  15  -4.384  -1.861  -2.995
  131   2HD2  LEU  15          HD22      LEU  15  -4.375  -2.840  -1.528
  132   3HD2  LEU  15          HD23      LEU  15  -4.089  -1.102  -1.430
  133    H    TRP  16           HN       TRP  16  -7.519  -0.621   0.713
  134    HA   TRP  16           HA       TRP  16  -9.170  -2.897   0.398
  135   1HB   TRP  16          HB2       TRP  16  -7.438  -1.880   2.370
  136   2HB   TRP  16          HB1       TRP  16  -9.009  -2.020   3.150
  137    HD1  TRP  16           HD1      TRP  16  -9.320  -4.271   4.295
  138    HE1  TRP  16           HE1      TRP  16  -8.491  -6.679   3.915
  139    HE3  TRP  16           HE3      TRP  16  -6.545  -3.515   0.072
  140    HZ2  TRP  16           HZ2      TRP  16  -6.872  -8.072   2.068
  141    HZ3  TRP  16           HZ3      TRP  16  -5.385  -5.436  -0.940
  142    HH2  TRP  16           HH2      TRP  16  -5.546  -7.666   0.040
  143    H    TYR  17           HN       TYR  17  -9.740   0.399   1.245
  144    HA   TYR  17           HA       TYR  17 -12.377  -0.028   2.320
  145   1HB   TYR  17          HB2       TYR  17 -11.677   1.911   3.257
  146   2HB   TYR  17          HB1       TYR  17 -10.517   2.222   1.972
  147    HD1  TYR  17           HD1      TYR  17 -11.048   3.686   0.162
  148    HD2  TYR  17           HD2      TYR  17 -14.035   2.649   3.009
  149    HE1  TYR  17           HE1      TYR  17 -12.497   5.467  -0.719
  150    HE2  TYR  17           HE2      TYR  17 -15.494   4.425   2.135
  151    HH   TYR  17           HH       TYR  17 -14.849   6.057  -0.796
  152    H    ILE  18           HN       ILE  18 -10.929   0.681  -0.758
  153    HA   ILE  18           HA       ILE  18 -13.286   1.583  -2.076
  154    HB   ILE  18           HB       ILE  18 -10.761   0.402  -3.246
  155   1HG1  ILE  18          HG12      ILE  18 -11.501   3.317  -3.200
  156   2HG1  ILE  18          HG11      ILE  18 -10.695   2.577  -1.820
  157   1HG2  ILE  18          HG21      ILE  18 -12.853   0.385  -4.688
  158   2HG2  ILE  18          HG22      ILE  18 -11.439   1.203  -5.353
  159   3HG2  ILE  18          HG23      ILE  18 -12.758   2.146  -4.661
  160   1HD1  ILE  18          HD11      ILE  18  -9.035   3.594  -3.175
  161   2HD1  ILE  18          HD12      ILE  18  -9.663   2.821  -4.631
  162   3HD1  ILE  18          HD13      ILE  18  -8.886   1.848  -3.382
  163    H    LYS  19           HN       LYS  19 -11.546  -1.526  -2.101
  164    HA   LYS  19           HA       LYS  19 -13.682  -2.805  -3.571
  165   1HB   LYS  19          HB2       LYS  19 -11.287  -4.119  -2.289
  166   2HB   LYS  19          HB1       LYS  19 -12.285  -4.751  -3.591
  167   1HG   LYS  19          HG2       LYS  19 -11.371  -2.336  -4.575
  168   2HG   LYS  19          HG1       LYS  19  -9.988  -2.994  -3.698
  169   1HD   LYS  19          HD2       LYS  19 -11.314  -5.035  -5.256
  170   2HD   LYS  19          HD1       LYS  19 -10.826  -3.673  -6.268
  171   1HE   LYS  19          HE2       LYS  19  -9.028  -5.255  -6.214
  172   2HE   LYS  19          HE1       LYS  19  -8.549  -3.835  -5.281
  173   1HZ   LYS  19          HZ1       LYS  19  -8.141  -6.190  -4.316
  174   2HZ   LYS  19          HZ2       LYS  19  -9.783  -6.138  -3.913
  175   3HZ   LYS  19          HZ3       LYS  19  -8.726  -4.972  -3.294
  176   1HN   NH2  20          HN1       LYS  19 -12.974  -2.612   0.016
  177   2HN   NH2  20          HN2       LYS  19 -14.699  -2.639  -0.056
  Start of MODEL    3
    1   1H    LYS   1          HT1       LYS   1  18.891  -0.218  -2.316
    2   2H    LYS   1          HT2       LYS   1  17.522   0.107  -3.254
    3   3H    LYS   1          HT3       LYS   1  17.842  -1.474  -2.745
    4    HA   LYS   1           HA       LYS   1  17.716  -0.484  -0.385
    5   1HB   LYS   1          HB2       LYS   1  16.950   1.703  -2.133
    6   2HB   LYS   1          HB1       LYS   1  15.676   1.337  -0.977
    7   1HG   LYS   1          HG2       LYS   1  18.441   1.546   0.065
    8   2HG   LYS   1          HG1       LYS   1  17.641   3.034  -0.444
    9   1HD   LYS   1          HD2       LYS   1  16.290   3.038   1.340
   10   2HD   LYS   1          HD1       LYS   1  15.913   1.324   1.156
   11   1HE   LYS   1          HE2       LYS   1  17.061   1.079   3.067
   12   2HE   LYS   1          HE1       LYS   1  18.488   1.228   2.044
   13   1HZ   LYS   1          HZ1       LYS   1  18.042   3.772   2.489
   14   2HZ   LYS   1          HZ2       LYS   1  18.940   2.827   3.567
   15   3HZ   LYS   1          HZ3       LYS   1  17.314   3.164   3.890
   16    H    TRP   2           HN       TRP   2  15.127  -0.062   0.341
   17    HA   TRP   2           HA       TRP   2  13.624  -2.205  -1.005
   18   1HB   TRP   2          HB2       TRP   2  12.784  -2.941   1.190
   19   2HB   TRP   2          HB1       TRP   2  14.536  -3.082   1.085
   20    HD1  TRP   2           HD1      TRP   2  15.987  -1.261   2.502
   21    HE1  TRP   2           HE1      TRP   2  15.398   0.040   4.643
   22    HE3  TRP   2           HE3      TRP   2  10.910  -1.859   2.449
   23    HZ2  TRP   2           HZ2      TRP   2  13.087   0.722   6.115
   24    HZ3  TRP   2           HZ3      TRP   2   9.584  -0.853   4.259
   25    HH2  TRP   2           HH2      TRP   2  10.651   0.410   6.055
   26    H    ALA   3           HN       ALA   3  13.607   0.871  -0.917
   27    HA   ALA   3           HA       ALA   3  11.043   1.503   0.235
   28   1HB   ALA   3          HB1       ALA   3  11.625   3.661  -0.025
   29   2HB   ALA   3          HB2       ALA   3  12.238   3.409  -1.660
   30   3HB   ALA   3          HB3       ALA   3  13.238   2.989  -0.269
   31    H    SER   4           HN       SER   4  11.338  -0.485  -2.049
   32    HA   SER   4           HA       SER   4   9.500   0.818  -3.944
   33   1HB   SER   4          HB2       SER   4  10.752  -1.739  -4.735
   34   2HB   SER   4          HB1       SER   4  10.489  -0.270  -5.674
   35    HG   SER   4           HG       SER   4  12.564  -0.032  -5.388
   36    H    LEU   5           HN       LEU   5   8.927  -0.551  -1.335
   37    HA   LEU   5           HA       LEU   5   6.997  -2.497  -2.402
   38   1HB   LEU   5          HB2       LEU   5   7.254  -3.856  -0.411
   39   2HB   LEU   5          HB1       LEU   5   8.789  -3.680  -1.239
   40    HG   LEU   5           HG       LEU   5   9.042  -1.677   0.526
   41   1HD1  LEU   5          HD11      LEU   5   7.281  -3.709   1.889
   42   2HD1  LEU   5          HD12      LEU   5   6.887  -2.019   1.570
   43   3HD1  LEU   5          HD13      LEU   5   8.175  -2.426   2.704
   44   1HD2  LEU   5          HD21      LEU   5  10.799  -3.077   0.660
   45   2HD2  LEU   5          HD22      LEU   5   9.798  -4.518   0.483
   46   3HD2  LEU   5          HD23      LEU   5   9.932  -3.725   2.052
   47    H    TRP   6           HN       TRP   6   7.634   0.186  -0.331
   48    HA   TRP   6           HA       TRP   6   5.180  -0.013   1.149
   49   1HB   TRP   6          HB2       TRP   6   5.939   1.746   2.392
   50   2HB   TRP   6          HB1       TRP   6   7.476   1.219   1.717
   51    HD1  TRP   6           HD1      TRP   6   8.678   2.836  -0.004
   52    HE1  TRP   6           HE1      TRP   6   8.289   5.296  -0.654
   53    HE3  TRP   6           HE3      TRP   6   4.046   3.497   2.055
   54    HZ2  TRP   6           HZ2      TRP   6   6.283   7.257  -0.337
   55    HZ3  TRP   6           HZ3      TRP   6   2.960   5.694   1.836
   56    HH2  TRP   6           HH2      TRP   6   4.057   7.535   0.667
   57    H    ASN   7           HN       ASN   7   6.193   1.449  -1.835
   58    HA   ASN   7           HA       ASN   7   4.272   3.431  -2.154
   59   1HB   ASN   7          HB2       ASN   7   4.551   2.368  -4.702
   60   2HB   ASN   7          HB1       ASN   7   5.541   3.638  -3.992
   61   1HD2  ASN   7          HD21      ASN   7   5.284   0.099  -3.875
   62   2HD2  ASN   7          HD22      ASN   7   6.980  -0.195  -4.019
   63    H    TRP   8           HN       TRP   8   3.948   0.009  -2.227
   64    HA   TRP   8           HA       TRP   8   1.154   0.285  -3.115
   65   1HB   TRP   8          HB2       TRP   8   1.316  -1.612  -4.341
   66   2HB   TRP   8          HB1       TRP   8   3.041  -1.270  -4.297
   67    HD1  TRP   8           HD1      TRP   8   4.572  -2.866  -2.844
   68    HE1  TRP   8           HE1      TRP   8   4.157  -5.170  -1.761
   69    HE3  TRP   8           HE3      TRP   8  -0.518  -3.011  -3.185
   70    HZ2  TRP   8           HZ2      TRP   8   1.951  -6.825  -1.135
   71    HZ3  TRP   8           HZ3      TRP   8  -1.708  -4.978  -2.323
   72    HH2  TRP   8           HH2      TRP   8  -0.499  -6.850  -1.320
   73    H    PHE   9           HN       PHE   9   3.315  -0.832  -0.648
   74    HA   PHE   9           HA       PHE   9   1.530  -2.474   0.802
   75   1HB   PHE   9          HB2       PHE   9   4.188  -1.773   1.038
   76   2HB   PHE   9          HB1       PHE   9   3.458  -0.990   2.434
   77    HD1  PHE   9           HD1      PHE   9   3.131  -4.279   0.688
   78    HD2  PHE   9           HD2      PHE   9   3.590  -2.195   4.371
   79    HE1  PHE   9           HE1      PHE   9   3.158  -6.424   1.894
   80    HE2  PHE   9           HE2      PHE   9   3.617  -4.336   5.583
   81    HZ   PHE   9           HZ       PHE   9   3.402  -6.454   4.344
   82    H    ASN  10           HN       ASN  10   1.830   0.927   0.449
   83    HA   ASN  10           HA       ASN  10   0.272   1.518   2.829
   84   1HB   ASN  10          HB2       ASN  10   0.942   3.694   2.588
   85   2HB   ASN  10          HB1       ASN  10   2.231   2.927   1.666
   86   1HD2  ASN  10          HD21      ASN  10   1.545   2.526  -0.708
   87   2HD2  ASN  10          HD22      ASN  10   0.838   3.886  -1.503
   88    H    ILE  11           HN       ILE  11  -0.235   0.728  -0.395
   89    HA   ILE  11           HA       ILE  11  -2.641   2.221  -0.837
   90    HB   ILE  11           HB       ILE  11  -1.678  -0.237  -2.307
   91   1HG1  ILE  11          HG12      ILE  11  -1.150   2.700  -2.817
   92   2HG1  ILE  11          HG11      ILE  11   0.041   1.479  -2.376
   93   1HG2  ILE  11          HG21      ILE  11  -4.095   0.500  -2.545
   94   2HG2  ILE  11          HG22      ILE  11  -3.164   0.360  -4.036
   95   3HG2  ILE  11          HG23      ILE  11  -3.470   1.948  -3.334
   96   1HD1  ILE  11          HD11      ILE  11   0.266   1.899  -4.696
   97   2HD1  ILE  11          HD12      ILE  11  -1.468   1.721  -4.964
   98   3HD1  ILE  11          HD13      ILE  11  -0.495   0.317  -4.526
   99    H    THR  12           HN       THR  12  -1.818  -0.887   0.500
  100    HA   THR  12           HA       THR  12  -4.402  -2.057   0.358
  101    HB   THR  12           HB       THR  12  -3.330  -3.345   2.463
  102    HG1  THR  12           HG1      THR  12  -1.473  -1.701   2.089
  103   1HG2  THR  12          HG21      THR  12  -3.834  -3.988  -0.072
  104   2HG2  THR  12          HG22      THR  12  -2.904  -5.041   0.995
  105   3HG2  THR  12          HG23      THR  12  -2.071  -3.988  -0.150
  106    H    ASN  13           HN       ASN  13  -3.483   0.634   1.949
  107    HA   ASN  13           HA       ASN  13  -4.960   0.146   4.409
  108   1HB   ASN  13          HB2       ASN  13  -3.116   2.262   3.419
  109   2HB   ASN  13          HB1       ASN  13  -4.316   2.729   4.621
  110   1HD2  ASN  13          HD21      ASN  13  -2.589  -0.326   4.241
  111   2HD2  ASN  13          HD22      ASN  13  -1.800  -0.277   5.778
  112    H    TRP  14           HN       TRP  14  -5.146   2.250   1.549
  113    HA   TRP  14           HA       TRP  14  -7.810   3.117   2.384
  114   1HB   TRP  14          HB2       TRP  14  -7.531   4.548   0.199
  115   2HB   TRP  14          HB1       TRP  14  -6.719   5.020   1.685
  116    HD1  TRP  14           HD1      TRP  14  -4.027   4.167   1.815
  117    HE1  TRP  14           HE1      TRP  14  -2.284   4.187  -0.070
  118    HE3  TRP  14           HE3      TRP  14  -7.179   4.386  -2.198
  119    HZ2  TRP  14           HZ2      TRP  14  -2.248   4.293  -2.894
  120    HZ3  TRP  14           HZ3      TRP  14  -6.213   4.449  -4.457
  121    HH2  TRP  14           HH2      TRP  14  -3.795   4.403  -4.797
  122    H    LEU  15           HN       LEU  15  -6.188   1.349  -0.201
  123    HA   LEU  15           HA       LEU  15  -8.404   1.070  -1.902
  124   1HB   LEU  15          HB2       LEU  15  -7.065  -0.246  -3.157
  125   2HB   LEU  15          HB1       LEU  15  -5.814   0.361  -2.094
  126    HG   LEU  15           HG       LEU  15  -6.432  -1.763  -0.670
  127   1HD1  LEU  15          HD11      LEU  15  -6.795  -3.221  -3.142
  128   2HD1  LEU  15          HD12      LEU  15  -8.139  -2.123  -2.824
  129   3HD1  LEU  15          HD13      LEU  15  -7.686  -3.333  -1.623
  130   1HD2  LEU  15          HD21      LEU  15  -4.666  -2.980  -1.805
  131   2HD2  LEU  15          HD22      LEU  15  -4.252  -1.270  -1.687
  132   3HD2  LEU  15          HD23      LEU  15  -4.827  -1.933  -3.216
  133    H    TRP  16           HN       TRP  16  -7.363  -0.689   0.943
  134    HA   TRP  16           HA       TRP  16  -9.170  -2.852   0.763
  135   1HB   TRP  16          HB2       TRP  16  -7.196  -1.944   2.578
  136   2HB   TRP  16          HB1       TRP  16  -8.685  -2.103   3.502
  137    HD1  TRP  16           HD1      TRP  16  -8.874  -4.390   4.595
  138    HE1  TRP  16           HE1      TRP  16  -8.134  -6.789   4.030
  139    HE3  TRP  16           HE3      TRP  16  -6.612  -3.502   0.097
  140    HZ2  TRP  16           HZ2      TRP  16  -6.769  -8.127   1.954
  141    HZ3  TRP  16           HZ3      TRP  16  -5.612  -5.396  -1.113
  142    HH2  TRP  16           HH2      TRP  16  -5.689  -7.660  -0.203
  143    H    TYR  17           HN       TYR  17  -9.461   0.445   1.728
  144    HA   TYR  17           HA       TYR  17 -11.975   0.151   3.094
  145   1HB   TYR  17          HB2       TYR  17 -11.029   2.037   3.939
  146   2HB   TYR  17          HB1       TYR  17 -10.074   2.326   2.490
  147    HD1  TYR  17           HD1      TYR  17 -10.776   3.894   0.859
  148    HD2  TYR  17           HD2      TYR  17 -13.424   2.787   4.001
  149    HE1  TYR  17           HE1      TYR  17 -12.286   5.732   0.228
  150    HE2  TYR  17           HE2      TYR  17 -14.941   4.619   3.377
  151    HH   TYR  17           HH       TYR  17 -14.090   7.152   1.500
  152    H    ILE  18           HN       ILE  18 -10.860   0.943  -0.127
  153    HA   ILE  18           HA       ILE  18 -13.321   1.916  -1.146
  154    HB   ILE  18           HB       ILE  18 -10.962   0.697  -2.590
  155   1HG1  ILE  18          HG12      ILE  18 -11.651   3.605  -2.624
  156   2HG1  ILE  18          HG11      ILE  18 -10.874   2.947  -1.188
  157   1HG2  ILE  18          HG21      ILE  18 -12.219   2.364  -4.369
  158   2HG2  ILE  18          HG22      ILE  18 -13.572   1.586  -3.547
  159   3HG2  ILE  18          HG23      ILE  18 -12.344   0.605  -4.347
  160   1HD1  ILE  18          HD11      ILE  18  -8.889   2.788  -2.199
  161   2HD1  ILE  18          HD12      ILE  18  -9.579   3.912  -3.369
  162   3HD1  ILE  18          HD13      ILE  18  -9.590   2.180  -3.699
  163    H    LYS  19           HN       LYS  19 -11.684  -1.163  -1.922
  164    HA   LYS  19           HA       LYS  19 -14.081  -2.335  -2.932
  165   1HB   LYS  19          HB2       LYS  19 -11.518  -3.730  -2.149
  166   2HB   LYS  19          HB1       LYS  19 -12.766  -4.345  -3.223
  167   1HG   LYS  19          HG2       LYS  19 -12.173  -2.916  -4.946
  168   2HG   LYS  19          HG1       LYS  19 -11.346  -1.795  -3.862
  169   1HD   LYS  19          HD2       LYS  19  -9.567  -3.404  -3.508
  170   2HD   LYS  19          HD1       LYS  19 -10.412  -4.592  -4.503
  171   1HE   LYS  19          HE2       LYS  19  -8.963  -3.762  -6.057
  172   2HE   LYS  19          HE1       LYS  19 -10.311  -2.647  -6.286
  173   1HZ   LYS  19          HZ1       LYS  19  -7.817  -2.163  -4.745
  174   2HZ   LYS  19          HZ2       LYS  19  -9.159  -1.136  -4.681
  175   3HZ   LYS  19          HZ3       LYS  19  -8.336  -1.359  -6.142
  176   1HN   NH2  20          HN1       LYS  19 -12.273  -2.753   0.137
  177   2HN   NH2  20          HN2       LYS  19 -13.632  -3.410   0.977
  Start of MODEL    4
    1   1H    LYS   1          HT1       LYS   1  15.144   1.296   5.256
    2   2H    LYS   1          HT2       LYS   1  16.815   1.517   5.404
    3   3H    LYS   1          HT3       LYS   1  16.167  -0.045   5.387
    4    HA   LYS   1           HA       LYS   1  17.037   1.505   3.226
    5   1HB   LYS   1          HB2       LYS   1  16.358  -1.218   3.944
    6   2HB   LYS   1          HB1       LYS   1  15.826  -0.852   2.308
    7   1HG   LYS   1          HG2       LYS   1  18.604  -0.186   3.192
    8   2HG   LYS   1          HG1       LYS   1  18.183  -1.819   2.672
    9   1HD   LYS   1          HD2       LYS   1  17.091  -0.327   0.680
   10   2HD   LYS   1          HD1       LYS   1  18.503   0.643   1.102
   11   1HE   LYS   1          HE2       LYS   1  19.088  -0.921  -0.642
   12   2HE   LYS   1          HE1       LYS   1  19.918  -1.361   0.850
   13   1HZ   LYS   1          HZ1       LYS   1  18.095  -2.993   1.232
   14   2HZ   LYS   1          HZ2       LYS   1  19.063  -3.336  -0.112
   15   3HZ   LYS   1          HZ3       LYS   1  17.527  -2.662  -0.327
   16    H    TRP   2           HN       TRP   2  15.896   1.490   1.075
   17    HA   TRP   2           HA       TRP   2  13.390   2.855   1.348
   18   1HB   TRP   2          HB2       TRP   2  13.554   3.312  -0.980
   19   2HB   TRP   2          HB1       TRP   2  15.197   3.394  -0.353
   20    HD1  TRP   2           HD1      TRP   2  16.847   1.324  -0.991
   21    HE1  TRP   2           HE1      TRP   2  16.818  -0.277  -3.005
   22    HE3  TRP   2           HE3      TRP   2  12.056   2.111  -2.590
   23    HZ2  TRP   2           HZ2      TRP   2  15.002  -1.097  -5.005
   24    HZ3  TRP   2           HZ3      TRP   2  11.251   0.880  -4.560
   25    HH2  TRP   2           HH2      TRP   2  12.695  -0.692  -5.742
   26    H    ALA   3           HN       ALA   3  14.085  -0.328   1.444
   27    HA   ALA   3           HA       ALA   3  12.005  -1.347  -0.264
   28   1HB   ALA   3          HB1       ALA   3  12.890  -3.201   1.768
   29   2HB   ALA   3          HB2       ALA   3  14.254  -2.422   0.966
   30   3HB   ALA   3          HB3       ALA   3  13.050  -3.291   0.014
   31    H    SER   4           HN       SER   4  11.280   0.607   1.843
   32    HA   SER   4           HA       SER   4   9.211  -1.017   3.156
   33   1HB   SER   4          HB2       SER   4  11.200   0.793   4.395
   34   2HB   SER   4          HB1       SER   4   9.545   0.948   4.986
   35    HG   SER   4           HG       SER   4  11.321  -1.196   5.182
   36    H    LEU   5           HN       LEU   5   9.047   0.506   0.722
   37    HA   LEU   5           HA       LEU   5   7.060   2.506   1.566
   38   1HB   LEU   5          HB2       LEU   5   7.665   3.928  -0.293
   39   2HB   LEU   5          HB1       LEU   5   9.064   3.637   0.722
   40    HG   LEU   5           HG       LEU   5   9.457   1.697  -1.090
   41   1HD1  LEU   5          HD11      LEU   5   7.646   3.681  -2.359
   42   2HD1  LEU   5          HD12      LEU   5   7.795   1.945  -2.631
   43   3HD1  LEU   5          HD13      LEU   5   8.989   3.049  -3.313
   44   1HD2  LEU   5          HD21      LEU   5  10.686   3.700  -2.379
   45   2HD2  LEU   5          HD22      LEU   5  11.270   3.029  -0.856
   46   3HD2  LEU   5          HD23      LEU   5  10.318   4.513  -0.858
   47    H    TRP   6           HN       TRP   6   7.533  -0.374   0.072
   48    HA   TRP   6           HA       TRP   6   5.406   0.040  -1.905
   49   1HB   TRP   6          HB2       TRP   6   6.197  -1.807  -3.081
   50   2HB   TRP   6          HB1       TRP   6   7.679  -1.098  -2.454
   51    HD1  TRP   6           HD1      TRP   6   9.114  -2.545  -0.798
   52    HE1  TRP   6           HE1      TRP   6   8.958  -4.981   0.020
   53    HE3  TRP   6           HE3      TRP   6   4.415  -3.666  -2.474
   54    HZ2  TRP   6           HZ2      TRP   6   7.089  -7.098  -0.037
   55    HZ3  TRP   6           HZ3      TRP   6   3.515  -5.916  -2.049
   56    HH2  TRP   6           HH2      TRP   6   4.828  -7.597  -0.857
   57    H    ASN   7           HN       ASN   7   6.221  -1.746   0.995
   58    HA   ASN   7           HA       ASN   7   4.197  -3.641   1.022
   59   1HB   ASN   7          HB2       ASN   7   4.457  -2.828   3.687
   60   2HB   ASN   7          HB1       ASN   7   5.321  -4.137   2.890
   61   1HD2  ASN   7          HD21      ASN   7   5.445  -0.605   3.197
   62   2HD2  ASN   7          HD22      ASN   7   7.163  -0.509   3.347
   63    H    TRP   8           HN       TRP   8   3.996  -0.240   1.420
   64    HA   TRP   8           HA       TRP   8   1.226  -0.461   2.382
   65   1HB   TRP   8          HB2       TRP   8   1.518   1.440   3.572
   66   2HB   TRP   8          HB1       TRP   8   3.231   1.083   3.390
   67    HD1  TRP   8           HD1      TRP   8   4.645   2.646   1.783
   68    HE1  TRP   8           HE1      TRP   8   4.160   4.940   0.713
   69    HE3  TRP   8           HE3      TRP   8  -0.393   2.840   2.550
   70    HZ2  TRP   8           HZ2      TRP   8   1.925   6.610   0.259
   71    HZ3  TRP   8           HZ3      TRP   8  -1.636   4.812   1.773
   72    HH2  TRP   8           HH2      TRP   8  -0.500   6.661   0.649
   73    H    PHE   9           HN       PHE   9   3.238   0.554  -0.236
   74    HA   PHE   9           HA       PHE   9   1.485   2.273  -1.589
   75   1HB   PHE   9          HB2       PHE   9   4.027   1.429  -2.000
   76   2HB   PHE   9          HB1       PHE   9   3.186   0.515  -3.247
   77    HD1  PHE   9           HD1      PHE   9   4.097   3.856  -2.061
   78    HD2  PHE   9           HD2      PHE   9   2.191   1.616  -5.136
   79    HE1  PHE   9           HE1      PHE   9   4.106   5.845  -3.508
   80    HE2  PHE   9           HE2      PHE   9   2.196   3.602  -6.590
   81    HZ   PHE   9           HZ       PHE   9   3.155   5.720  -5.776
   82    H    ASN  10           HN       ASN  10   1.583  -1.187  -1.315
   83    HA   ASN  10           HA       ASN  10  -0.309  -1.569  -3.486
   84   1HB   ASN  10          HB2       ASN  10  -0.037  -3.935  -3.092
   85   2HB   ASN  10          HB1       ASN  10   1.556  -3.185  -3.091
   86   1HD2  ASN  10          HD21      ASN  10  -0.783  -4.914  -1.282
   87   2HD2  ASN  10          HD22      ASN  10   0.145  -5.096   0.164
   88    H    ILE  11           HN       ILE  11  -0.386  -0.879  -0.200
   89    HA   ILE  11           HA       ILE  11  -2.793  -2.289   0.470
   90    HB   ILE  11           HB       ILE  11  -1.578   0.065   1.920
   91   1HG1  ILE  11          HG12      ILE  11  -1.065  -2.904   2.210
   92   2HG1  ILE  11          HG11      ILE  11   0.097  -1.678   1.710
   93   1HG2  ILE  11          HG21      ILE  11  -3.845  -0.356   2.603
   94   2HG2  ILE  11          HG22      ILE  11  -2.758  -0.922   3.871
   95   3HG2  ILE  11          HG23      ILE  11  -3.516  -2.079   2.778
   96   1HD1  ILE  11          HD11      ILE  11  -0.614  -2.563   4.350
   97   2HD1  ILE  11          HD12      ILE  11  -0.841  -0.822   4.191
   98   3HD1  ILE  11          HD13      ILE  11   0.726  -1.543   3.826
   99    H    THR  12           HN       THR  12  -1.983   0.895  -0.738
  100    HA   THR  12           HA       THR  12  -4.473   2.144  -0.272
  101    HB   THR  12           HB       THR  12  -3.537   3.382  -2.537
  102    HG1  THR  12           HG1      THR  12  -1.267   2.476  -1.068
  103   1HG2  THR  12          HG21      THR  12  -2.518   5.007  -0.980
  104   2HG2  THR  12          HG22      THR  12  -2.698   3.838   0.328
  105   3HG2  THR  12          HG23      THR  12  -4.127   4.501  -0.465
  106    H    ASN  13           HN       ASN  13  -3.832  -0.487  -2.145
  107    HA   ASN  13           HA       ASN  13  -5.648   0.188  -4.316
  108   1HB   ASN  13          HB2       ASN  13  -3.608  -1.865  -3.825
  109   2HB   ASN  13          HB1       ASN  13  -5.051  -2.477  -4.628
  110   1HD2  ASN  13          HD21      ASN  13  -3.077   0.470  -4.785
  111   2HD2  ASN  13          HD22      ASN  13  -2.915   0.472  -6.505
  112    H    TRP  14           HN       TRP  14  -5.449  -2.263  -1.717
  113    HA   TRP  14           HA       TRP  14  -8.223  -2.985  -2.205
  114   1HB   TRP  14          HB2       TRP  14  -7.736  -4.546  -0.167
  115   2HB   TRP  14          HB1       TRP  14  -7.071  -4.930  -1.747
  116    HD1  TRP  14           HD1      TRP  14  -4.397  -4.187  -2.082
  117    HE1  TRP  14           HE1      TRP  14  -2.487  -4.306  -0.373
  118    HE3  TRP  14           HE3      TRP  14  -7.164  -4.401   2.207
  119    HZ2  TRP  14           HZ2      TRP  14  -2.186  -4.476   2.432
  120    HZ3  TRP  14           HZ3      TRP  14  -5.989  -4.545   4.363
  121    HH2  TRP  14           HH2      TRP  14  -3.550  -4.582   4.472
  122    H    LEU  15           HN       LEU  15  -6.279  -1.456   0.331
  123    HA   LEU  15           HA       LEU  15  -8.272  -1.228   2.270
  124   1HB   LEU  15          HB2       LEU  15  -6.776   0.011   3.419
  125   2HB   LEU  15          HB1       LEU  15  -5.673  -0.516   2.167
  126    HG   LEU  15           HG       LEU  15  -6.474   1.687   0.972
  127   1HD1  LEU  15          HD11      LEU  15  -7.143   3.437   2.362
  128   2HD1  LEU  15          HD12      LEU  15  -6.711   2.559   3.830
  129   3HD1  LEU  15          HD13      LEU  15  -8.126   2.071   2.894
  130   1HD2  LEU  15          HD21      LEU  15  -4.539   2.782   1.791
  131   2HD2  LEU  15          HD22      LEU  15  -4.179   1.055   1.794
  132   3HD2  LEU  15          HD23      LEU  15  -4.583   1.875   3.303
  133    H    TRP  16           HN       TRP  16  -7.573   0.712  -0.570
  134    HA   TRP  16           HA       TRP  16  -9.364   2.835  -0.028
  135   1HB   TRP  16          HB2       TRP  16  -7.539   2.175  -2.054
  136   2HB   TRP  16          HB1       TRP  16  -9.101   2.269  -2.859
  137    HD1  TRP  16           HD1      TRP  16  -9.706   4.603  -3.683
  138    HE1  TRP  16           HE1      TRP  16  -9.033   7.013  -3.078
  139    HE3  TRP  16           HE3      TRP  16  -6.648   3.615   0.291
  140    HZ2  TRP  16           HZ2      TRP  16  -7.416   8.321  -1.168
  141    HZ3  TRP  16           HZ3      TRP  16  -5.574   5.501   1.452
  142    HH2  TRP  16           HH2      TRP  16  -5.952   7.805   0.736
  143    H    TYR  17           HN       TYR  17  -9.694  -0.326  -1.461
  144    HA   TYR  17           HA       TYR  17 -12.333   0.063  -2.481
  145   1HB   TYR  17          HB2       TYR  17 -11.591  -1.743  -3.601
  146   2HB   TYR  17          HB1       TYR  17 -10.335  -2.056  -2.411
  147    HD1  TYR  17           HD1      TYR  17 -10.681  -3.657  -0.633
  148    HD2  TYR  17           HD2      TYR  17 -13.781  -2.819  -3.425
  149    HE1  TYR  17           HE1      TYR  17 -11.894  -5.658   0.121
  150    HE2  TYR  17           HE2      TYR  17 -15.003  -4.816  -2.675
  151    HH   TYR  17           HH       TYR  17 -13.674  -7.259  -0.994
  152    H    ILE  18           HN       ILE  18 -10.963  -0.747   0.575
  153    HA   ILE  18           HA       ILE  18 -13.316  -1.945   1.702
  154    HB   ILE  18           HB       ILE  18 -10.893  -0.794   3.097
  155   1HG1  ILE  18          HG12      ILE  18 -11.465  -3.706   2.562
  156   2HG1  ILE  18          HG11      ILE  18 -10.557  -2.715   1.426
  157   1HG2  ILE  18          HG21      ILE  18 -11.784  -1.392   5.054
  158   2HG2  ILE  18          HG22      ILE  18 -12.336  -2.944   4.424
  159   3HG2  ILE  18          HG23      ILE  18 -13.320  -1.499   4.194
  160   1HD1  ILE  18          HD11      ILE  18  -9.747  -3.873   3.982
  161   2HD1  ILE  18          HD12      ILE  18  -9.256  -2.195   3.750
  162   3HD1  ILE  18          HD13      ILE  18  -8.782  -3.424   2.576
  163    H    LYS  19           HN       LYS  19 -11.871   1.265   1.644
  164    HA   LYS  19           HA       LYS  19 -13.991   2.319   3.354
  165   1HB   LYS  19          HB2       LYS  19 -11.643   3.782   2.140
  166   2HB   LYS  19          HB1       LYS  19 -12.707   4.368   3.411
  167   1HG   LYS  19          HG2       LYS  19 -11.633   1.898   4.274
  168   2HG   LYS  19          HG1       LYS  19 -10.304   2.875   3.645
  169   1HD   LYS  19          HD2       LYS  19 -11.947   4.591   5.173
  170   2HD   LYS  19          HD1       LYS  19 -11.702   3.125   6.125
  171   1HE   LYS  19          HE2       LYS  19  -9.359   4.370   4.769
  172   2HE   LYS  19          HE1       LYS  19  -9.994   5.128   6.230
  173   1HZ   LYS  19          HZ1       LYS  19  -8.173   3.424   6.549
  174   2HZ   LYS  19          HZ2       LYS  19  -9.305   2.245   6.112
  175   3HZ   LYS  19          HZ3       LYS  19  -9.566   3.197   7.485
  176   1HN   NH2  20          HN1       LYS  19 -14.168   1.565   0.190
  177   2HN   NH2  20          HN2       LYS  19 -14.172   3.104  -0.595
  Start of MODEL    5
    1   1H    LYS   1          HT1       LYS   1  16.625   0.458   3.934
    2   2H    LYS   1          HT2       LYS   1  18.210   0.463   3.344
    3   3H    LYS   1          HT3       LYS   1  17.401  -1.003   3.579
    4    HA   LYS   1           HA       LYS   1  17.491   0.569   1.280
    5   1HB   LYS   1          HB2       LYS   1  17.546  -1.894   1.456
    6   2HB   LYS   1          HB1       LYS   1  15.869  -1.889   1.982
    7   1HG   LYS   1          HG2       LYS   1  15.098  -1.714  -0.103
    8   2HG   LYS   1          HG1       LYS   1  16.290  -0.488  -0.539
    9   1HD   LYS   1          HD2       LYS   1  17.773  -2.018  -1.333
   10   2HD   LYS   1          HD1       LYS   1  17.285  -3.253  -0.171
   11   1HE   LYS   1          HE2       LYS   1  15.453  -2.404  -2.386
   12   2HE   LYS   1          HE1       LYS   1  16.720  -3.599  -2.666
   13   1HZ   LYS   1          HZ1       LYS   1  14.392  -3.787  -0.852
   14   2HZ   LYS   1          HZ2       LYS   1  15.733  -4.803  -0.681
   15   3HZ   LYS   1          HZ3       LYS   1  14.832  -4.828  -2.111
   16    H    TRP   2           HN       TRP   2  15.674   1.119  -0.125
   17    HA   TRP   2           HA       TRP   2  13.681   2.628   1.307
   18   1HB   TRP   2          HB2       TRP   2  12.985   3.388  -0.944
   19   2HB   TRP   2          HB1       TRP   2  14.713   3.595  -0.674
   20    HD1  TRP   2           HD1      TRP   2  16.370   1.934  -2.026
   21    HE1  TRP   2           HE1      TRP   2  16.034   0.635  -4.222
   22    HE3  TRP   2           HE3      TRP   2  11.271   2.168  -2.340
   23    HZ2  TRP   2           HZ2      TRP   2  13.893  -0.182  -5.868
   24    HZ3  TRP   2           HZ3      TRP   2  10.158   1.102  -4.257
   25    HH2  TRP   2           HH2      TRP   2  11.443  -0.049  -5.985
   26    H    ALA   3           HN       ALA   3  13.762  -0.472   1.038
   27    HA   ALA   3           HA       ALA   3  11.297  -1.104  -0.293
   28   1HB   ALA   3          HB1       ALA   3  11.672  -3.366   0.489
   29   2HB   ALA   3          HB2       ALA   3  12.947  -2.806   1.571
   30   3HB   ALA   3          HB3       ALA   3  13.163  -2.700  -0.176
   31    H    SER   4           HN       SER   4  11.443   0.774   2.137
   32    HA   SER   4           HA       SER   4   9.492  -0.626   3.834
   33   1HB   SER   4          HB2       SER   4  11.043   1.883   4.507
   34   2HB   SER   4          HB1       SER   4  10.065   0.910   5.604
   35    HG   SER   4           HG       SER   4  12.634   0.623   4.994
   36    H    LEU   5           HN       LEU   5   9.026   0.775   1.222
   37    HA   LEU   5           HA       LEU   5   6.972   2.648   2.193
   38   1HB   LEU   5          HB2       LEU   5   7.274   3.964   0.139
   39   2HB   LEU   5          HB1       LEU   5   8.713   3.944   1.139
   40    HG   LEU   5           HG       LEU   5   9.348   1.926  -0.491
   41   1HD1  LEU   5          HD11      LEU   5   8.045   1.725  -2.271
   42   2HD1  LEU   5          HD12      LEU   5   8.422   3.386  -2.726
   43   3HD1  LEU   5          HD13      LEU   5   7.028   3.048  -1.700
   44   1HD2  LEU   5          HD21      LEU   5   9.782   4.843  -0.571
   45   2HD2  LEU   5          HD22      LEU   5  10.221   3.950  -2.027
   46   3HD2  LEU   5          HD23      LEU   5  10.946   3.521  -0.477
   47    H    TRP   6           HN       TRP   6   7.803  -0.015   0.176
   48    HA   TRP   6           HA       TRP   6   5.420   0.101  -1.434
   49   1HB   TRP   6          HB2       TRP   6   6.305  -1.639  -2.639
   50   2HB   TRP   6          HB1       TRP   6   7.783  -1.000  -1.933
   51    HD1  TRP   6           HD1      TRP   6   9.097  -2.539  -0.250
   52    HE1  TRP   6           HE1      TRP   6   8.845  -5.002   0.459
   53    HE3  TRP   6           HE3      TRP   6   4.468  -3.483  -2.210
   54    HZ2  TRP   6           HZ2      TRP   6   6.938  -7.070   0.218
   55    HZ3  TRP   6           HZ3      TRP   6   3.500  -5.725  -1.924
   56    HH2  TRP   6           HH2      TRP   6   4.712  -7.483  -0.737
   57    H    ASN   7           HN       ASN   7   6.453  -1.544   1.485
   58    HA   ASN   7           HA       ASN   7   4.589  -3.552   1.703
   59   1HB   ASN   7          HB2       ASN   7   4.761  -2.615   4.295
   60   2HB   ASN   7          HB1       ASN   7   5.849  -3.776   3.544
   61   1HD2  ASN   7          HD21      ASN   7   5.342  -0.285   3.855
   62   2HD2  ASN   7          HD22      ASN   7   7.017   0.123   3.964
   63    H    TRP   8           HN       TRP   8   4.100  -0.144   2.002
   64    HA   TRP   8           HA       TRP   8   1.318  -0.617   2.837
   65   1HB   TRP   8          HB2       TRP   8   1.380   1.230   4.137
   66   2HB   TRP   8          HB1       TRP   8   3.122   0.996   4.064
   67    HD1  TRP   8           HD1      TRP   8   4.535   2.753   2.678
   68    HE1  TRP   8           HE1      TRP   8   3.972   5.078   1.720
   69    HE3  TRP   8           HE3      TRP   8  -0.548   2.561   3.048
   70    HZ2  TRP   8           HZ2      TRP   8   1.664   6.625   1.193
   71    HZ3  TRP   8           HZ3      TRP   8  -1.865   4.495   2.300
   72    HH2  TRP   8           HH2      TRP   8  -0.782   6.487   1.390
   73    H    PHE   9           HN       PHE   9   3.361   0.597   0.349
   74    HA   PHE   9           HA       PHE   9   1.516   2.265  -0.988
   75   1HB   PHE   9          HB2       PHE   9   4.153   1.665  -1.332
   76   2HB   PHE   9          HB1       PHE   9   3.431   0.785  -2.675
   77    HD1  PHE   9           HD1      PHE   9   2.884   1.892  -4.638
   78    HD2  PHE   9           HD2      PHE   9   3.541   4.144  -1.088
   79    HE1  PHE   9           HE1      PHE   9   2.765   3.975  -5.942
   80    HE2  PHE   9           HE2      PHE   9   3.423   6.231  -2.385
   81    HZ   PHE   9           HZ       PHE   9   3.035   6.149  -4.815
   82    H    ASN  10           HN       ASN  10   1.878  -1.163  -0.786
   83    HA   ASN  10           HA       ASN  10   0.209  -1.681  -3.102
   84   1HB   ASN  10          HB2       ASN  10   0.532  -4.030  -2.591
   85   2HB   ASN  10          HB1       ASN  10   2.085  -3.205  -2.501
   86   1HD2  ASN  10          HD21      ASN  10  -0.538  -4.566  -0.620
   87   2HD2  ASN  10          HD22      ASN  10   0.375  -4.811   0.826
   88    H    ILE  11           HN       ILE  11  -0.252  -0.812   0.073
   89    HA   ILE  11           HA       ILE  11  -2.652  -2.329   0.581
   90    HB   ILE  11           HB       ILE  11  -1.594   0.065   2.087
   91   1HG1  ILE  11          HG12      ILE  11  -1.088  -2.894   2.472
   92   2HG1  ILE  11          HG11      ILE  11   0.104  -1.661   2.066
   93   1HG2  ILE  11          HG21      ILE  11  -3.083  -1.910   3.593
   94   2HG2  ILE  11          HG22      ILE  11  -4.037  -1.233   2.274
   95   3HG2  ILE  11          HG23      ILE  11  -3.317  -0.166   3.479
   96   1HD1  ILE  11          HD11      ILE  11  -0.247  -0.621   4.256
   97   2HD1  ILE  11          HD12      ILE  11   0.280  -2.298   4.394
   98   3HD1  ILE  11          HD13      ILE  11  -1.413  -1.881   4.658
   99    H    THR  12           HN       THR  12  -1.813   0.822  -0.672
  100    HA   THR  12           HA       THR  12  -4.345   2.049  -0.385
  101    HB   THR  12           HB       THR  12  -3.303   3.288  -2.583
  102    HG1  THR  12           HG1      THR  12  -0.963   2.937  -1.158
  103   1HG2  THR  12          HG21      THR  12  -2.841   3.678   0.359
  104   2HG2  THR  12          HG22      THR  12  -3.903   4.577  -0.725
  105   3HG2  THR  12          HG23      THR  12  -2.155   4.788  -0.829
  106    H    ASN  13           HN       ASN  13  -3.649  -0.644  -2.080
  107    HA   ASN  13           HA       ASN  13  -5.285  -0.024  -4.414
  108   1HB   ASN  13          HB2       ASN  13  -3.613  -2.404  -3.627
  109   2HB   ASN  13          HB1       ASN  13  -4.723  -2.463  -4.992
  110   1HD2  ASN  13          HD21      ASN  13  -2.342  -0.161  -3.709
  111   2HD2  ASN  13          HD22      ASN  13  -1.538   0.105  -5.215
  112    H    TRP  14           HN       TRP  14  -5.283  -2.307  -1.674
  113    HA   TRP  14           HA       TRP  14  -8.016  -3.075  -2.327
  114   1HB   TRP  14          HB2       TRP  14  -7.642  -4.551  -0.192
  115   2HB   TRP  14          HB1       TRP  14  -6.910  -5.003  -1.725
  116    HD1  TRP  14           HD1      TRP  14  -4.211  -4.225  -1.967
  117    HE1  TRP  14           HE1      TRP  14  -2.383  -4.305  -0.168
  118    HE3  TRP  14           HE3      TRP  14  -7.177  -4.388   2.191
  119    HZ2  TRP  14           HZ2      TRP  14  -2.214  -4.433   2.649
  120    HZ3  TRP  14           HZ3      TRP  14  -6.103  -4.491   4.401
  121    HH2  TRP  14           HH2      TRP  14  -3.672  -4.512   4.624
  122    H    LEU  15           HN       LEU  15  -6.231  -1.373   0.199
  123    HA   LEU  15           HA       LEU  15  -8.348  -1.093   2.019
  124   1HB   LEU  15          HB2       LEU  15  -6.936   0.203   3.217
  125   2HB   LEU  15          HB1       LEU  15  -5.750  -0.427   2.095
  126    HG   LEU  15           HG       LEU  15  -6.378   1.719   0.710
  127   1HD1  LEU  15          HD11      LEU  15  -6.632   3.089   3.279
  128   2HD1  LEU  15          HD12      LEU  15  -8.042   2.123   2.839
  129   3HD1  LEU  15          HD13      LEU  15  -7.459   3.382   1.749
  130   1HD2  LEU  15          HD21      LEU  15  -4.685   1.955   3.188
  131   2HD2  LEU  15          HD22      LEU  15  -4.498   2.829   1.667
  132   3HD2  LEU  15          HD23      LEU  15  -4.181   1.095   1.733
  133    H    TRP  16           HN       TRP  16  -7.468   0.672  -0.868
  134    HA   TRP  16           HA       TRP  16  -9.259   2.847  -0.538
  135   1HB   TRP  16          HB2       TRP  16  -7.319   2.051  -2.421
  136   2HB   TRP  16          HB1       TRP  16  -8.831   2.164  -3.315
  137    HD1  TRP  16           HD1      TRP  16  -9.281   4.480  -4.274
  138    HE1  TRP  16           HE1      TRP  16  -8.572   6.890  -3.708
  139    HE3  TRP  16           HE3      TRP  16  -6.549   3.552  -0.055
  140    HZ2  TRP  16           HZ2      TRP  16  -7.052   8.220  -1.734
  141    HZ3  TRP  16           HZ3      TRP  16  -5.498   5.446   1.111
  142    HH2  TRP  16           HH2      TRP  16  -5.745   7.731   0.287
  143    H    TYR  17           HN       TYR  17  -9.577  -0.422  -1.556
  144    HA   TYR  17           HA       TYR  17 -12.155  -0.065  -2.816
  145   1HB   TYR  17          HB2       TYR  17 -11.293  -1.868  -3.871
  146   2HB   TYR  17          HB1       TYR  17 -10.154  -2.193  -2.571
  147    HD1  TYR  17           HD1      TYR  17 -13.607  -2.793  -3.750
  148    HD2  TYR  17           HD2      TYR  17 -10.594  -3.872  -0.946
  149    HE1  TYR  17           HE1      TYR  17 -14.932  -4.757  -3.091
  150    HE2  TYR  17           HE2      TYR  17 -11.911  -5.840  -0.280
  151    HH   TYR  17           HH       TYR  17 -15.176  -6.318  -1.359
  152    H    ILE  18           HN       ILE  18 -10.881  -0.738   0.307
  153    HA   ILE  18           HA       ILE  18 -13.225  -1.982   1.392
  154    HB   ILE  18           HB       ILE  18 -10.897  -0.677   2.814
  155   1HG1  ILE  18          HG12      ILE  18 -11.384  -3.627   2.417
  156   2HG1  ILE  18          HG11      ILE  18 -10.456  -2.674   1.264
  157   1HG2  ILE  18          HG21      ILE  18 -12.038  -0.979   4.693
  158   2HG2  ILE  18          HG22      ILE  18 -12.082  -2.711   4.368
  159   3HG2  ILE  18          HG23      ILE  18 -13.387  -1.673   3.796
  160   1HD1  ILE  18          HD11      ILE  18  -9.616  -2.382   4.055
  161   2HD1  ILE  18          HD12      ILE  18  -8.657  -2.602   2.591
  162   3HD1  ILE  18          HD13      ILE  18  -9.405  -3.994   3.373
  163    H    LYS  19           HN       LYS  19 -11.802   1.271   1.574
  164    HA   LYS  19           HA       LYS  19 -14.118   2.278   3.006
  165   1HB   LYS  19          HB2       LYS  19 -11.596   3.634   2.040
  166   2HB   LYS  19          HB1       LYS  19 -12.871   4.446   2.939
  167   1HG   LYS  19          HG2       LYS  19 -12.459   3.150   4.875
  168   2HG   LYS  19          HG1       LYS  19 -11.413   2.038   3.990
  169   1HD   LYS  19          HD2       LYS  19  -9.857   3.944   3.576
  170   2HD   LYS  19          HD1       LYS  19 -10.866   4.932   4.635
  171   1HE   LYS  19          HE2       LYS  19  -9.333   2.442   5.369
  172   2HE   LYS  19          HE1       LYS  19  -9.005   4.093   5.901
  173   1HZ   LYS  19          HZ1       LYS  19 -10.167   2.761   7.593
  174   2HZ   LYS  19          HZ2       LYS  19 -11.478   2.566   6.541
  175   3HZ   LYS  19          HZ3       LYS  19 -11.077   4.106   7.113
  176   1HN   NH2  20          HN1       LYS  19 -12.955   2.560  -0.484
  177   2HN   NH2  20          HN2       LYS  19 -13.494   4.201  -0.490
  Start of MODEL    6
    1   1H    LYS   1          HT1       LYS   1 -17.235  -1.707   3.818
    2   2H    LYS   1          HT2       LYS   1 -17.993  -2.622   2.614
    3   3H    LYS   1          HT3       LYS   1 -18.616  -1.109   3.043
    4    HA   LYS   1           HA       LYS   1 -17.407  -1.035   0.937
    5   1HB   LYS   1          HB2       LYS   1 -17.135   0.624   3.236
    6   2HB   LYS   1          HB1       LYS   1 -15.584   0.602   2.408
    7   1HG   LYS   1          HG2       LYS   1 -18.118   1.102   0.898
    8   2HG   LYS   1          HG1       LYS   1 -17.309   2.402   1.777
    9   1HD   LYS   1          HD2       LYS   1 -15.299   1.089   0.329
   10   2HD   LYS   1          HD1       LYS   1 -16.663   1.247  -0.778
   11   1HE   LYS   1          HE2       LYS   1 -15.231   3.430   0.720
   12   2HE   LYS   1          HE1       LYS   1 -15.326   3.198  -1.026
   13   1HZ   LYS   1          HZ1       LYS   1 -16.970   4.689  -0.871
   14   2HZ   LYS   1          HZ2       LYS   1 -17.224   4.422   0.779
   15   3HZ   LYS   1          HZ3       LYS   1 -17.914   3.380  -0.362
   16    H    TRP   2           HN       TRP   2 -15.263  -0.918  -0.064
   17    HA   TRP   2           HA       TRP   2 -13.379  -2.811   1.179
   18   1HB   TRP   2          HB2       TRP   2 -12.715  -3.468  -1.107
   19   2HB   TRP   2          HB1       TRP   2 -14.418  -3.786  -0.795
   20    HD1  TRP   2           HD1      TRP   2 -16.211  -2.270  -2.107
   21    HE1  TRP   2           HE1      TRP   2 -16.011  -0.878  -4.263
   22    HE3  TRP   2           HE3      TRP   2 -11.118  -2.015  -2.442
   23    HZ2  TRP   2           HZ2      TRP   2 -13.963   0.187  -5.890
   24    HZ3  TRP   2           HZ3      TRP   2 -10.117  -0.794  -4.326
   25    HH2  TRP   2           HH2      TRP   2 -11.511   0.285  -6.015
   26    H    ALA   3           HN       ALA   3 -13.694   0.303   0.925
   27    HA   ALA   3           HA       ALA   3 -11.292   1.103  -0.423
   28   1HB   ALA   3          HB1       ALA   3 -13.559   2.401   0.778
   29   2HB   ALA   3          HB2       ALA   3 -12.419   3.015  -0.419
   30   3HB   ALA   3          HB3       ALA   3 -12.058   3.165   1.300
   31    H    SER   4           HN       SER   4 -11.260  -0.825   1.954
   32    HA   SER   4           HA       SER   4  -9.344   0.652   3.629
   33   1HB   SER   4          HB2       SER   4  -9.889  -0.764   5.445
   34   2HB   SER   4          HB1       SER   4 -11.437  -0.372   4.697
   35    HG   SER   4           HG       SER   4 -11.549  -2.378   3.845
   36    H    LEU   5           HN       LEU   5  -8.926  -0.754   1.009
   37    HA   LEU   5           HA       LEU   5  -6.774  -2.542   1.922
   38   1HB   LEU   5          HB2       LEU   5  -7.128  -3.952  -0.031
   39   2HB   LEU   5          HB1       LEU   5  -8.568  -3.884   0.965
   40    HG   LEU   5           HG       LEU   5  -9.196  -1.943  -0.764
   41   1HD1  LEU   5          HD11      LEU   5  -8.028  -1.893  -2.652
   42   2HD1  LEU   5          HD12      LEU   5  -8.177  -3.639  -2.854
   43   3HD1  LEU   5          HD13      LEU   5  -6.858  -2.972  -1.892
   44   1HD2  LEU   5          HD21      LEU   5  -9.529  -4.916  -1.070
   45   2HD2  LEU   5          HD22      LEU   5 -10.349  -3.749  -2.107
   46   3HD2  LEU   5          HD23      LEU   5 -10.658  -3.756  -0.371
   47    H    TRP   6           HN       TRP   6  -7.556   0.270   0.320
   48    HA   TRP   6           HA       TRP   6  -5.334   0.113  -1.562
   49   1HB   TRP   6          HB2       TRP   6  -6.198   2.025  -2.616
   50   2HB   TRP   6          HB1       TRP   6  -7.625   1.117  -2.137
   51    HD1  TRP   6           HD1      TRP   6  -9.312   2.284  -0.523
   52    HE1  TRP   6           HE1      TRP   6  -9.454   4.631   0.522
   53    HE3  TRP   6           HE3      TRP   6  -4.620   3.967  -1.661
   54    HZ2  TRP   6           HZ2      TRP   6  -7.798   6.898   0.824
   55    HZ3  TRP   6           HZ3      TRP   6  -3.977   6.234  -0.958
   56    HH2  TRP   6           HH2      TRP   6  -5.535   7.670   0.257
   57    H    ASN   7           HN       ASN   7  -6.266   1.776   1.392
   58    HA   ASN   7           HA       ASN   7  -4.334   3.752   1.511
   59   1HB   ASN   7          HB2       ASN   7  -5.085   2.191   3.963
   60   2HB   ASN   7          HB1       ASN   7  -4.784   3.919   3.804
   61   1HD2  ASN   7          HD21      ASN   7  -7.064   1.346   3.313
   62   2HD2  ASN   7          HD22      ASN   7  -8.452   2.348   3.084
   63    H    TRP   8           HN       TRP   8  -4.002   0.346   1.865
   64    HA   TRP   8           HA       TRP   8  -1.214   0.662   2.746
   65   1HB   TRP   8          HB2       TRP   8  -1.403  -1.247   3.956
   66   2HB   TRP   8          HB1       TRP   8  -3.122  -0.883   3.880
   67    HD1  TRP   8           HD1      TRP   8  -4.637  -2.435   2.335
   68    HE1  TRP   8           HE1      TRP   8  -4.228  -4.756   1.289
   69    HE3  TRP   8           HE3      TRP   8   0.417  -2.688   2.914
   70    HZ2  TRP   8           HZ2      TRP   8  -2.032  -6.467   0.777
   71    HZ3  TRP   8           HZ3      TRP   8   1.604  -4.684   2.125
   72    HH2  TRP   8           HH2      TRP   8   0.407  -6.540   1.077
   73    H    PHE   9           HN       PHE   9  -3.246  -0.342   0.160
   74    HA   PHE   9           HA       PHE   9  -1.487  -2.072  -1.201
   75   1HB   PHE   9          HB2       PHE   9  -4.027  -1.421  -1.616
   76   2HB   PHE   9          HB1       PHE   9  -3.307  -0.273  -2.739
   77    HD1  PHE   9           HD1      PHE   9  -3.543  -3.868  -1.902
   78    HD2  PHE   9           HD2      PHE   9  -2.534  -0.961  -4.842
   79    HE1  PHE   9           HE1      PHE   9  -3.365  -5.647  -3.593
   80    HE2  PHE   9           HE2      PHE   9  -2.354  -2.734  -6.539
   81    HZ   PHE   9           HZ       PHE   9  -2.771  -5.081  -5.916
   82    H    ASN  10           HN       ASN  10  -1.700   1.391  -0.951
   83    HA   ASN  10           HA       ASN  10   0.149   1.858  -3.124
   84   1HB   ASN  10          HB2       ASN  10  -0.035   4.233  -2.479
   85   2HB   ASN  10          HB1       ASN  10  -1.616   3.496  -2.714
   86   1HD2  ASN  10          HD21      ASN  10   0.762   4.209  -0.186
   87   2HD2  ASN  10          HD22      ASN  10  -0.398   4.555   1.047
   88    H    ILE  11           HN       ILE  11   0.305   1.144   0.176
   89    HA   ILE  11           HA       ILE  11   2.760   2.466   0.786
   90    HB   ILE  11           HB       ILE  11   1.545   0.092   2.202
   91   1HG1  ILE  11          HG12      ILE  11   1.135   3.062   2.628
   92   2HG1  ILE  11          HG11      ILE  11  -0.079   1.904   2.090
   93   1HG2  ILE  11          HG21      ILE  11   3.003   0.466   3.932
   94   2HG2  ILE  11          HG22      ILE  11   3.219   2.169   3.528
   95   3HG2  ILE  11          HG23      ILE  11   4.014   0.926   2.562
   96   1HD1  ILE  11          HD11      ILE  11  -0.678   1.871   4.237
   97   2HD1  ILE  11          HD12      ILE  11   0.864   2.533   4.782
   98   3HD1  ILE  11          HD13      ILE  11   0.714   0.807   4.448
   99    H    THR  12           HN       THR  12   1.874  -0.671  -0.491
  100    HA   THR  12           HA       THR  12   4.424  -1.896  -0.168
  101    HB   THR  12           HB       THR  12   3.358  -3.250  -2.266
  102    HG1  THR  12           HG1      THR  12   1.308  -2.794  -2.491
  103   1HG2  THR  12          HG21      THR  12   2.461  -4.809  -0.622
  104   2HG2  THR  12          HG22      THR  12   2.518  -3.558   0.620
  105   3HG2  THR  12          HG23      THR  12   4.015  -4.176  -0.078
  106    H    ASN  13           HN       ASN  13   3.716   0.741  -1.883
  107    HA   ASN  13           HA       ASN  13   5.225   0.066  -4.286
  108   1HB   ASN  13          HB2       ASN  13   3.594   2.452  -3.449
  109   2HB   ASN  13          HB1       ASN  13   4.680   2.533  -4.832
  110   1HD2  ASN  13          HD21      ASN  13   1.764   1.168  -3.550
  111   2HD2  ASN  13          HD22      ASN  13   1.152   0.551  -5.043
  112    H    TRP  14           HN       TRP  14   5.375   2.310  -1.537
  113    HA   TRP  14           HA       TRP  14   8.094   3.056  -2.298
  114   1HB   TRP  14          HB2       TRP  14   7.775   4.548  -0.148
  115   2HB   TRP  14          HB1       TRP  14   7.057   5.014  -1.684
  116    HD1  TRP  14           HD1      TRP  14   4.347   4.328  -1.935
  117    HE1  TRP  14           HE1      TRP  14   2.512   4.437  -0.142
  118    HE3  TRP  14           HE3      TRP  14   7.293   4.362   2.242
  119    HZ2  TRP  14           HZ2      TRP  14   2.334   4.536   2.673
  120    HZ3  TRP  14           HZ3      TRP  14   6.210   4.471   4.448
  121    HH2  TRP  14           HH2      TRP  14   3.780   4.556   4.657
  122    H    LEU  15           HN       LEU  15   6.323   1.501   0.334
  123    HA   LEU  15           HA       LEU  15   8.473   1.163   2.094
  124   1HB   LEU  15          HB2       LEU  15   7.010   0.021   3.366
  125   2HB   LEU  15          HB1       LEU  15   5.832   0.587   2.201
  126    HG   LEU  15           HG       LEU  15   6.449  -1.659   0.970
  127   1HD1  LEU  15          HD11      LEU  15   8.216  -2.092   2.777
  128   2HD1  LEU  15          HD12      LEU  15   7.144  -3.420   2.329
  129   3HD1  LEU  15          HD13      LEU  15   6.851  -2.514   3.813
  130   1HD2  LEU  15          HD21      LEU  15   4.525  -2.647   1.923
  131   2HD2  LEU  15          HD22      LEU  15   4.252  -0.904   1.958
  132   3HD2  LEU  15          HD23      LEU  15   4.725  -1.753   3.430
  133    H    TRP  16           HN       TRP  16   7.403  -0.714  -0.680
  134    HA   TRP  16           HA       TRP  16   9.118  -2.931  -0.320
  135   1HB   TRP  16          HB2       TRP  16   7.200  -2.085  -2.225
  136   2HB   TRP  16          HB1       TRP  16   8.692  -2.377  -3.112
  137    HD1  TRP  16           HD1      TRP  16   8.769  -4.749  -4.034
  138    HE1  TRP  16           HE1      TRP  16   7.936  -7.063  -3.276
  139    HE3  TRP  16           HE3      TRP  16   6.575  -3.415   0.385
  140    HZ2  TRP  16           HZ2      TRP  16   6.535  -8.177  -1.093
  141    HZ3  TRP  16           HZ3      TRP  16   5.511  -5.165   1.750
  142    HH2  TRP  16           HH2      TRP  16   5.491  -7.496   1.025
  143    H    TYR  17           HN       TYR  17   9.525   0.255  -1.625
  144    HA   TYR  17           HA       TYR  17  12.054  -0.256  -2.888
  145   1HB   TYR  17          HB2       TYR  17  11.232   1.572  -3.941
  146   2HB   TYR  17          HB1       TYR  17  10.195   2.000  -2.585
  147    HD1  TYR  17           HD1      TYR  17  13.525   2.428  -4.081
  148    HD2  TYR  17           HD2      TYR  17  10.925   3.583  -0.915
  149    HE1  TYR  17           HE1      TYR  17  15.020   4.307  -3.547
  150    HE2  TYR  17           HE2      TYR  17  12.414   5.465  -0.374
  151    HH   TYR  17           HH       TYR  17  15.322   6.123  -2.300
  152    H    ILE  18           HN       ILE  18  10.915   0.785   0.231
  153    HA   ILE  18           HA       ILE  18  13.381   1.826   1.198
  154    HB   ILE  18           HB       ILE  18  11.030   0.749   2.767
  155   1HG1  ILE  18          HG12      ILE  18  11.649   3.644   2.205
  156   2HG1  ILE  18          HG11      ILE  18  10.656   2.689   1.110
  157   1HG2  ILE  18          HG21      ILE  18  13.424   1.141   3.815
  158   2HG2  ILE  18          HG22      ILE  18  11.953   1.591   4.679
  159   3HG2  ILE  18          HG23      ILE  18  12.884   2.820   3.822
  160   1HD1  ILE  18          HD11      ILE  18   9.566   2.239   3.625
  161   2HD1  ILE  18          HD12      ILE  18   8.916   3.270   2.350
  162   3HD1  ILE  18          HD13      ILE  18   9.957   3.958   3.597
  163    H    LYS  19           HN       LYS  19  11.728  -1.297   1.614
  164    HA   LYS  19           HA       LYS  19  13.863  -2.427   3.151
  165   1HB   LYS  19          HB2       LYS  19  11.599  -3.845   1.736
  166   2HB   LYS  19          HB1       LYS  19  12.606  -4.501   3.020
  167   1HG   LYS  19          HG2       LYS  19  11.723  -2.607   4.468
  168   2HG   LYS  19          HG1       LYS  19  10.518  -2.356   3.203
  169   1HD   LYS  19          HD2       LYS  19   9.640  -4.554   3.499
  170   2HD   LYS  19          HD1       LYS  19  10.976  -5.007   4.559
  171   1HE   LYS  19          HE2       LYS  19   9.851  -2.726   5.715
  172   2HE   LYS  19          HE1       LYS  19   8.480  -3.709   5.196
  173   1HZ   LYS  19          HZ1       LYS  19  10.725  -4.630   6.919
  174   2HZ   LYS  19          HZ2       LYS  19   9.431  -5.590   6.406
  175   3HZ   LYS  19          HZ3       LYS  19   9.153  -4.282   7.443
  176   1HN   NH2  20          HN1       LYS  19  14.142  -2.439  -0.678
  177   2HN   NH2  20          HN2       LYS  19  13.022  -3.721  -0.383
  Start of MODEL    7
    1   1H    LYS   1          HT1       LYS   1  17.606  -1.109   3.892
    2   2H    LYS   1          HT2       LYS   1  16.972   0.405   4.304
    3   3H    LYS   1          HT3       LYS   1  18.558   0.281   3.729
    4    HA   LYS   1           HA       LYS   1  17.891   0.520   1.659
    5   1HB   LYS   1          HB2       LYS   1  16.698  -2.013   2.488
    6   2HB   LYS   1          HB1       LYS   1  15.807  -1.248   1.179
    7   1HG   LYS   1          HG2       LYS   1  18.501  -1.032   0.470
    8   2HG   LYS   1          HG1       LYS   1  18.303  -2.666   1.108
    9   1HD   LYS   1          HD2       LYS   1  16.894  -3.296  -0.569
   10   2HD   LYS   1          HD1       LYS   1  16.227  -1.674  -0.765
   11   1HE   LYS   1          HE2       LYS   1  17.924  -0.998  -2.160
   12   2HE   LYS   1          HE1       LYS   1  19.075  -2.157  -1.496
   13   1HZ   LYS   1          HZ1       LYS   1  18.153  -3.888  -2.730
   14   2HZ   LYS   1          HZ2       LYS   1  18.180  -2.592  -3.818
   15   3HZ   LYS   1          HZ3       LYS   1  16.730  -3.035  -3.068
   16    H    TRP   2           HN       TRP   2  15.711   0.703   0.230
   17    HA   TRP   2           HA       TRP   2  13.963   2.512   1.757
   18   1HB   TRP   2          HB2       TRP   2  13.514   3.649  -0.372
   19   2HB   TRP   2          HB1       TRP   2  15.239   3.624  -0.020
   20    HD1  TRP   2           HD1      TRP   2  16.799   2.157  -1.620
   21    HE1  TRP   2           HE1      TRP   2  16.415   1.165  -3.965
   22    HE3  TRP   2           HE3      TRP   2  11.714   2.612  -1.874
   23    HZ2  TRP   2           HZ2      TRP   2  14.242   0.644  -5.690
   24    HZ3  TRP   2           HZ3      TRP   2  10.560   1.843  -3.905
   25    HH2  TRP   2           HH2      TRP   2  11.798   0.879  -5.773
   26    H    ALA   3           HN       ALA   3  13.955  -0.540   0.789
   27    HA   ALA   3           HA       ALA   3  11.476  -0.724  -0.632
   28   1HB   ALA   3          HB1       ALA   3  12.955  -2.910   0.822
   29   2HB   ALA   3          HB2       ALA   3  13.292  -2.397  -0.831
   30   3HB   ALA   3          HB3       ALA   3  11.728  -3.105  -0.429
   31    H    SER   4           HN       SER   4  11.501   0.662   2.019
   32    HA   SER   4           HA       SER   4   9.600  -1.039   3.479
   33   1HB   SER   4          HB2       SER   4  11.400   1.213   4.347
   34   2HB   SER   4          HB1       SER   4  10.013   0.730   5.324
   35    HG   SER   4           HG       SER   4  11.018  -1.490   5.026
   36    H    LEU   5           HN       LEU   5   9.078   0.640   1.063
   37    HA   LEU   5           HA       LEU   5   6.939   2.294   2.226
   38   1HB   LEU   5          HB2       LEU   5   7.225   3.818   0.258
   39   2HB   LEU   5          HB1       LEU   5   8.540   3.842   1.418
   40    HG   LEU   5           HG       LEU   5   9.559   2.046  -0.270
   41   1HD1  LEU   5          HD11      LEU   5   7.733   3.738  -1.969
   42   2HD1  LEU   5          HD12      LEU   5   7.693   1.984  -1.785
   43   3HD1  LEU   5          HD13      LEU   5   9.059   2.755  -2.591
   44   1HD2  LEU   5          HD21      LEU   5   9.627   5.034  -0.302
   45   2HD2  LEU   5          HD22      LEU   5  10.529   4.118  -1.510
   46   3HD2  LEU   5          HD23      LEU   5  10.868   3.888   0.206
   47    H    TRP   6           HN       TRP   6   7.541  -0.411   0.503
   48    HA   TRP   6           HA       TRP   6   5.366  -0.029  -1.410
   49   1HB   TRP   6          HB2       TRP   6   6.211  -1.791  -2.633
   50   2HB   TRP   6          HB1       TRP   6   7.685  -1.180  -1.891
   51    HD1  TRP   6           HD1      TRP   6   8.976  -2.783  -0.263
   52    HE1  TRP   6           HE1      TRP   6   8.676  -5.250   0.411
   53    HE3  TRP   6           HE3      TRP   6   4.315  -3.596  -2.199
   54    HZ2  TRP   6           HZ2      TRP   6   6.721  -7.272   0.157
   55    HZ3  TRP   6           HZ3      TRP   6   3.299  -5.821  -1.939
   56    HH2  TRP   6           HH2      TRP   6   4.479  -7.621  -0.786
   57    H    ASN   7           HN       ASN   7   6.155  -1.807   1.502
   58    HA   ASN   7           HA       ASN   7   4.165  -3.731   1.506
   59   1HB   ASN   7          HB2       ASN   7   4.898  -2.275   4.026
   60   2HB   ASN   7          HB1       ASN   7   4.550  -3.986   3.801
   61   1HD2  ASN   7          HD21      ASN   7   6.927  -1.501   3.632
   62   2HD2  ASN   7          HD22      ASN   7   8.287  -2.525   3.338
   63    H    TRP   8           HN       TRP   8   3.923  -0.322   2.022
   64    HA   TRP   8           HA       TRP   8   1.112  -0.604   2.819
   65   1HB   TRP   8          HB2       TRP   8   1.314   1.269   4.070
   66   2HB   TRP   8          HB1       TRP   8   3.035   0.917   3.979
   67    HD1  TRP   8           HD1      TRP   8   4.540   2.534   2.518
   68    HE1  TRP   8           HE1      TRP   8   4.114   4.861   1.495
   69    HE3  TRP   8           HE3      TRP   8  -0.536   2.691   2.977
   70    HZ2  TRP   8           HZ2      TRP   8   1.904   6.540   0.957
   71    HZ3  TRP   8           HZ3      TRP   8  -1.737   4.683   2.187
   72    HH2  TRP   8           HH2      TRP   8  -0.542   6.571   1.197
   73    H    PHE   9           HN       PHE   9   3.211   0.513   0.312
   74    HA   PHE   9           HA       PHE   9   1.471   2.235  -1.062
   75   1HB   PHE   9          HB2       PHE   9   4.051   1.407  -1.409
   76   2HB   PHE   9          HB1       PHE   9   3.242   0.588  -2.739
   77    HD1  PHE   9           HD1      PHE   9   2.217   1.847  -4.537
   78    HD2  PHE   9           HD2      PHE   9   4.227   3.806  -1.339
   79    HE1  PHE   9           HE1      PHE   9   2.277   3.924  -5.853
   80    HE2  PHE   9           HE2      PHE   9   4.290   5.888  -2.649
   81    HZ   PHE   9           HZ       PHE   9   3.314   5.949  -4.909
   82    H    ASN  10           HN       ASN  10   1.687  -1.232  -0.903
   83    HA   ASN  10           HA       ASN  10  -0.078  -1.640  -3.155
   84   1HB   ASN  10          HB2       ASN  10   0.801  -3.701  -3.147
   85   2HB   ASN  10          HB1       ASN  10   1.799  -3.221  -1.778
   86   1HD2  ASN  10          HD21      ASN  10   0.729  -3.410   0.377
   87   2HD2  ASN  10          HD22      ASN  10  -0.282  -4.784   0.643
   88    H    ILE  11           HN       ILE  11  -0.348  -1.006   0.147
   89    HA   ILE  11           HA       ILE  11  -2.815  -2.348   0.659
   90    HB   ILE  11           HB       ILE  11  -1.652   0.008   2.147
   91   1HG1  ILE  11          HG12      ILE  11  -1.228  -2.966   2.519
   92   2HG1  ILE  11          HG11      ILE  11  -0.009  -1.775   2.074
   93   1HG2  ILE  11          HG21      ILE  11  -3.390  -2.107   3.342
   94   2HG2  ILE  11          HG22      ILE  11  -4.118  -0.780   2.437
   95   3HG2  ILE  11          HG23      ILE  11  -3.132  -0.441   3.859
   96   1HD1  ILE  11          HD11      ILE  11   0.486  -1.580   4.220
   97   2HD1  ILE  11          HD12      ILE  11  -0.871  -2.613   4.672
   98   3HD1  ILE  11          HD13      ILE  11  -1.110  -0.876   4.485
   99    H    THR  12           HN       THR  12  -1.903   0.775  -0.605
  100    HA   THR  12           HA       THR  12  -4.425   2.047  -0.303
  101    HB   THR  12           HB       THR  12  -3.321   3.299  -2.472
  102    HG1  THR  12           HG1      THR  12  -0.983   3.232  -1.289
  103   1HG2  THR  12          HG21      THR  12  -2.407   3.839   0.346
  104   2HG2  THR  12          HG22      THR  12  -4.041   4.204  -0.209
  105   3HG2  THR  12          HG23      THR  12  -2.656   4.995  -0.963
  106    H    ASN  13           HN       ASN  13  -3.734  -0.631  -2.001
  107    HA   ASN  13           HA       ASN  13  -5.301   0.025  -4.372
  108   1HB   ASN  13          HB2       ASN  13  -3.893  -2.543  -3.612
  109   2HB   ASN  13          HB1       ASN  13  -4.669  -2.216  -5.159
  110   1HD2  ASN  13          HD21      ASN  13  -1.843  -2.794  -4.329
  111   2HD2  ASN  13          HD22      ASN  13  -0.914  -1.534  -5.060
  112    H    TRP  14           HN       TRP  14  -5.376  -2.319  -1.681
  113    HA   TRP  14           HA       TRP  14  -8.099  -3.054  -2.395
  114   1HB   TRP  14          HB2       TRP  14  -7.778  -4.509  -0.222
  115   2HB   TRP  14          HB1       TRP  14  -7.053  -4.993  -1.749
  116    HD1  TRP  14           HD1      TRP  14  -4.343  -4.219  -1.997
  117    HE1  TRP  14           HE1      TRP  14  -2.516  -4.334  -0.198
  118    HE3  TRP  14           HE3      TRP  14  -7.312  -4.401   2.158
  119    HZ2  TRP  14           HZ2      TRP  14  -2.350  -4.488   2.618
  120    HZ3  TRP  14           HZ3      TRP  14  -6.240  -4.535   4.368
  121    HH2  TRP  14           HH2      TRP  14  -3.809  -4.577   4.592
  122    H    LEU  15           HN       LEU  15  -6.373  -1.341   0.154
  123    HA   LEU  15           HA       LEU  15  -8.542  -1.050   1.918
  124   1HB   LEU  15          HB2       LEU  15  -7.139   0.196   3.169
  125   2HB   LEU  15          HB1       LEU  15  -5.930  -0.415   2.060
  126    HG   LEU  15           HG       LEU  15  -6.510   1.753   0.703
  127   1HD1  LEU  15          HD11      LEU  15  -6.934   2.945   3.381
  128   2HD1  LEU  15          HD12      LEU  15  -8.317   2.165   2.610
  129   3HD1  LEU  15          HD13      LEU  15  -7.482   3.490   1.796
  130   1HD2  LEU  15          HD21      LEU  15  -4.700   2.899   1.829
  131   2HD2  LEU  15          HD22      LEU  15  -4.334   1.178   1.701
  132   3HD2  LEU  15          HD23      LEU  15  -4.881   1.851   3.237
  133    H    TRP  16           HN       TRP  16  -7.522   0.763  -0.912
  134    HA   TRP  16           HA       TRP  16  -9.276   2.959  -0.631
  135   1HB   TRP  16          HB2       TRP  16  -7.364   2.078  -2.514
  136   2HB   TRP  16          HB1       TRP  16  -8.873   2.252  -3.402
  137    HD1  TRP  16           HD1      TRP  16  -9.121   4.567  -4.435
  138    HE1  TRP  16           HE1      TRP  16  -8.346   6.951  -3.855
  139    HE3  TRP  16           HE3      TRP  16  -6.673   3.584  -0.055
  140    HZ2  TRP  16           HZ2      TRP  16  -6.891   8.245  -1.812
  141    HZ3  TRP  16           HZ3      TRP  16  -5.616   5.451   1.150
  142    HH2  TRP  16           HH2      TRP  16  -5.723   7.733   0.287
  143    H    TYR  17           HN       TYR  17  -9.674  -0.305  -1.628
  144    HA   TYR  17           HA       TYR  17 -12.229   0.086  -2.913
  145   1HB   TYR  17          HB2       TYR  17 -11.312  -1.756  -3.887
  146   2HB   TYR  17          HB1       TYR  17 -10.335  -2.142  -2.475
  147    HD1  TYR  17           HD1      TYR  17 -13.639  -2.553  -4.049
  148    HD2  TYR  17           HD2      TYR  17 -11.113  -3.695  -0.821
  149    HE1  TYR  17           HE1      TYR  17 -15.175  -4.396  -3.509
  150    HE2  TYR  17           HE2      TYR  17 -12.642  -5.542  -0.272
  151    HH   TYR  17           HH       TYR  17 -15.758  -5.780  -1.511
  152    H    ILE  18           HN       ILE  18 -10.988  -0.744   0.228
  153    HA   ILE  18           HA       ILE  18 -13.466  -1.725   1.288
  154    HB   ILE  18           HB       ILE  18 -11.022  -0.755   2.779
  155   1HG1  ILE  18          HG12      ILE  18 -11.697  -3.638   2.292
  156   2HG1  ILE  18          HG11      ILE  18 -10.842  -2.720   1.057
  157   1HG2  ILE  18          HG21      ILE  18 -13.485  -2.252   3.603
  158   2HG2  ILE  18          HG22      ILE  18 -12.748  -0.831   4.343
  159   3HG2  ILE  18          HG23      ILE  18 -11.976  -2.409   4.503
  160   1HD1  ILE  18          HD11      ILE  18  -9.640  -4.106   3.024
  161   2HD1  ILE  18          HD12      ILE  18  -9.736  -2.510   3.770
  162   3HD1  ILE  18          HD13      ILE  18  -8.923  -2.711   2.218
  163    H    LYS  19           HN       LYS  19 -11.541   1.076   2.364
  164    HA   LYS  19           HA       LYS  19 -13.800   2.368   3.516
  165   1HB   LYS  19          HB2       LYS  19 -11.101   3.551   2.838
  166   2HB   LYS  19          HB1       LYS  19 -12.280   4.216   3.961
  167   1HG   LYS  19          HG2       LYS  19 -11.882   2.564   5.550
  168   2HG   LYS  19          HG1       LYS  19 -11.134   1.481   4.374
  169   1HD   LYS  19          HD2       LYS  19  -9.184   2.237   5.171
  170   2HD   LYS  19          HD1       LYS  19  -9.528   3.704   4.253
  171   1HE   LYS  19          HE2       LYS  19 -10.492   3.301   7.072
  172   2HE   LYS  19          HE1       LYS  19  -8.909   3.989   6.707
  173   1HZ   LYS  19          HZ1       LYS  19 -10.578   5.716   7.051
  174   2HZ   LYS  19          HZ2       LYS  19 -11.519   5.090   5.792
  175   3HZ   LYS  19          HZ3       LYS  19  -9.999   5.754   5.460
  176   1HN   NH2  20          HN1       LYS  19 -13.245   2.082   0.186
  177   2HN   NH2  20          HN2       LYS  19 -12.955   3.737  -0.213
  Start of MODEL    8
    1   1H    LYS   1          HT1       LYS   1 -16.128   0.767  -4.596
    2   2H    LYS   1          HT2       LYS   1 -17.568   1.641  -4.451
    3   3H    LYS   1          HT3       LYS   1 -17.577  -0.039  -4.260
    4    HA   LYS   1           HA       LYS   1 -17.538   1.654  -2.225
    5   1HB   LYS   1          HB2       LYS   1 -16.641  -1.140  -2.672
    6   2HB   LYS   1          HB1       LYS   1 -16.214  -0.419  -1.127
    7   1HG   LYS   1          HG2       LYS   1 -18.943   0.162  -1.649
    8   2HG   LYS   1          HG1       LYS   1 -18.675  -1.561  -1.925
    9   1HD   LYS   1          HD2       LYS   1 -17.593  -0.233   0.531
   10   2HD   LYS   1          HD1       LYS   1 -19.283  -0.733   0.458
   11   1HE   LYS   1          HE2       LYS   1 -17.234  -2.709  -0.372
   12   2HE   LYS   1          HE1       LYS   1 -17.350  -2.336   1.347
   13   1HZ   LYS   1          HZ1       LYS   1 -19.763  -3.012  -0.209
   14   2HZ   LYS   1          HZ2       LYS   1 -19.503  -3.138   1.458
   15   3HZ   LYS   1          HZ3       LYS   1 -18.765  -4.234   0.403
   16    H    TRP   2           HN       TRP   2 -15.633   1.327  -0.397
   17    HA   TRP   2           HA       TRP   2 -13.360   2.783  -1.543
   18   1HB   TRP   2          HB2       TRP   2 -12.949   3.646   0.669
   19   2HB   TRP   2          HB1       TRP   2 -14.656   3.856   0.298
   20    HD1  TRP   2           HD1      TRP   2 -16.398   2.250   1.621
   21    HE1  TRP   2           HE1      TRP   2 -16.192   1.064   3.896
   22    HE3  TRP   2           HE3      TRP   2 -11.323   2.498   2.217
   23    HZ2  TRP   2           HZ2      TRP   2 -14.150   0.334   5.701
   24    HZ3  TRP   2           HZ3      TRP   2 -10.325   1.532   4.247
   25    HH2  TRP   2           HH2      TRP   2 -11.712   0.472   5.953
   26    H    ALA   3           HN       ALA   3 -14.045  -0.293  -1.003
   27    HA   ALA   3           HA       ALA   3 -11.776  -1.136   0.546
   28   1HB   ALA   3          HB1       ALA   3 -13.958  -2.513  -0.947
   29   2HB   ALA   3          HB2       ALA   3 -13.489  -2.650   0.748
   30   3HB   ALA   3          HB3       ALA   3 -12.514  -3.423  -0.502
   31    H    SER   4           HN       SER   4 -11.349   0.485  -1.937
   32    HA   SER   4           HA       SER   4  -9.534  -1.387  -3.302
   33   1HB   SER   4          HB2       SER   4 -10.906   0.988  -4.576
   34   2HB   SER   4          HB1       SER   4  -9.908  -0.219  -5.386
   35    HG   SER   4           HG       SER   4 -12.294  -0.859  -4.000
   36    H    LEU   5           HN       LEU   5  -9.176   0.535  -1.011
   37    HA   LEU   5           HA       LEU   5  -6.984   2.099  -2.205
   38   1HB   LEU   5          HB2       LEU   5  -7.320   3.792  -0.474
   39   2HB   LEU   5          HB1       LEU   5  -8.745   3.595  -1.476
   40    HG   LEU   5           HG       LEU   5  -9.411   1.935   0.526
   41   1HD1  LEU   5          HD11      LEU   5  -8.102   4.112   2.080
   42   2HD1  LEU   5          HD12      LEU   5  -7.144   2.713   1.594
   43   3HD1  LEU   5          HD13      LEU   5  -8.584   2.494   2.589
   44   1HD2  LEU   5          HD21      LEU   5  -9.820   4.852   0.095
   45   2HD2  LEU   5          HD22      LEU   5 -10.434   4.117   1.576
   46   3HD2  LEU   5          HD23      LEU   5 -10.977   3.524   0.006
   47    H    TRP   6           HN       TRP   6  -7.521  -0.560  -0.476
   48    HA   TRP   6           HA       TRP   6  -5.414  -0.065   1.499
   49   1HB   TRP   6          HB2       TRP   6  -6.299  -1.732   2.803
   50   2HB   TRP   6          HB1       TRP   6  -7.754  -1.230   1.954
   51    HD1  TRP   6           HD1      TRP   6  -8.933  -3.002   0.427
   52    HE1  TRP   6           HE1      TRP   6  -8.522  -5.498  -0.051
   53    HE3  TRP   6           HE3      TRP   6  -4.309  -3.488   2.556
   54    HZ2  TRP   6           HZ2      TRP   6  -6.505  -7.419   0.414
   55    HZ3  TRP   6           HZ3      TRP   6  -3.208  -5.686   2.495
   56    HH2  TRP   6           HH2      TRP   6  -4.285  -7.611   1.448
   57    H    ASN   7           HN       ASN   7  -6.166  -1.970  -1.340
   58    HA   ASN   7           HA       ASN   7  -4.137  -3.863  -1.240
   59   1HB   ASN   7          HB2       ASN   7  -4.750  -2.654  -3.887
   60   2HB   ASN   7          HB1       ASN   7  -4.658  -4.348  -3.419
   61   1HD2  ASN   7          HD21      ASN   7  -6.684  -2.163  -4.560
   62   2HD2  ASN   7          HD22      ASN   7  -8.176  -2.711  -3.883
   63    H    TRP   8           HN       TRP   8  -3.950  -0.480  -1.739
   64    HA   TRP   8           HA       TRP   8  -1.162  -0.716  -2.640
   65   1HB   TRP   8          HB2       TRP   8  -1.438   1.123  -3.925
   66   2HB   TRP   8          HB1       TRP   8  -3.150   0.750  -3.775
   67    HD1  TRP   8           HD1      TRP   8  -4.630   2.365  -2.282
   68    HE1  TRP   8           HE1      TRP   8  -4.209   4.715  -1.313
   69    HE3  TRP   8           HE3      TRP   8   0.424   2.603  -2.930
   70    HZ2  TRP   8           HZ2      TRP   8  -2.010   6.440  -0.880
   71    HZ3  TRP   8           HZ3      TRP   8   1.616   4.628  -2.215
   72    HH2  TRP   8           HH2      TRP   8   0.425   6.510  -1.210
   73    H    PHE   9           HN       PHE   9  -3.242   0.435  -0.114
   74    HA   PHE   9           HA       PHE   9  -1.443   2.188   1.171
   75   1HB   PHE   9          HB2       PHE   9  -4.062   1.407   1.571
   76   2HB   PHE   9          HB1       PHE   9  -3.234   0.742   2.974
   77    HD1  PHE   9           HD1      PHE   9  -4.076   3.829   1.167
   78    HD2  PHE   9           HD2      PHE   9  -2.357   2.153   4.681
   79    HE1  PHE   9           HE1      PHE   9  -4.117   6.044   2.238
   80    HE2  PHE   9           HE2      PHE   9  -2.396   4.364   5.759
   81    HZ   PHE   9           HZ       PHE   9  -3.277   6.313   4.538
   82    H    ASN  10           HN       ASN  10  -1.679  -1.255   1.059
   83    HA   ASN  10           HA       ASN  10   0.061  -1.619   3.360
   84   1HB   ASN  10          HB2       ASN  10  -0.702  -3.745   3.415
   85   2HB   ASN  10          HB1       ASN  10  -1.928  -3.176   2.289
   86   1HD2  ASN  10          HD21      ASN  10  -1.043  -3.139  -0.067
   87   2HD2  ASN  10          HD22      ASN  10  -0.262  -4.596  -0.567
   88    H    ILE  11           HN       ILE  11   0.373  -0.931   0.123
   89    HA   ILE  11           HA       ILE  11   2.766  -2.442  -0.410
   90    HB   ILE  11           HB       ILE  11   1.624  -0.108  -1.951
   91   1HG1  ILE  11          HG12      ILE  11   1.194  -3.089  -2.235
   92   2HG1  ILE  11          HG11      ILE  11  -0.023  -1.875  -1.846
   93   1HG2  ILE  11          HG21      ILE  11   3.435  -0.257  -3.225
   94   2HG2  ILE  11          HG22      ILE  11   3.046  -1.941  -3.581
   95   3HG2  ILE  11          HG23      ILE  11   4.065  -1.545  -2.197
   96   1HD1  ILE  11          HD11      ILE  11   0.836  -0.927  -4.206
   97   2HD1  ILE  11          HD12      ILE  11  -0.494  -2.072  -4.032
   98   3HD1  ILE  11          HD13      ILE  11   1.120  -2.651  -4.443
   99    H    THR  12           HN       THR  12   1.957   0.724   0.805
  100    HA   THR  12           HA       THR  12   4.461   1.973   0.400
  101    HB   THR  12           HB       THR  12   3.554   3.248   2.605
  102    HG1  THR  12           HG1      THR  12   1.314   3.164   2.639
  103   1HG2  THR  12          HG21      THR  12   3.917   4.017   0.166
  104   2HG2  THR  12          HG22      THR  12   2.763   4.902   1.165
  105   3HG2  THR  12          HG23      THR  12   2.187   3.729  -0.021
  106    H    ASN  13           HN       ASN  13   3.751  -0.676   2.215
  107    HA   ASN  13           HA       ASN  13   5.486  -0.078   4.463
  108   1HB   ASN  13          HB2       ASN  13   3.886  -2.516   3.679
  109   2HB   ASN  13          HB1       ASN  13   4.967  -2.494   5.070
  110   1HD2  ASN  13          HD21      ASN  13   1.875  -1.849   3.949
  111   2HD2  ASN  13          HD22      ASN  13   1.274  -0.996   5.325
  112    H    TRP  14           HN       TRP  14   5.460  -2.318   1.689
  113    HA   TRP  14           HA       TRP  14   8.239  -3.011   2.250
  114   1HB   TRP  14          HB2       TRP  14   7.839  -4.548   0.182
  115   2HB   TRP  14          HB1       TRP  14   7.137  -4.976   1.737
  116    HD1  TRP  14           HD1      TRP  14   4.436  -4.236   2.003
  117    HE1  TRP  14           HE1      TRP  14   2.578  -4.403   0.241
  118    HE3  TRP  14           HE3      TRP  14   7.328  -4.459  -2.201
  119    HZ2  TRP  14           HZ2      TRP  14   2.360  -4.606  -2.571
  120    HZ3  TRP  14           HZ3      TRP  14   6.220  -4.640  -4.389
  121    HH2  TRP  14           HH2      TRP  14   3.786  -4.711  -4.569
  122    H    LEU  15           HN       LEU  15   6.281  -1.528  -0.309
  123    HA   LEU  15           HA       LEU  15   8.281  -1.178  -2.210
  124   1HB   LEU  15          HB2       LEU  15   6.754   0.037  -3.341
  125   2HB   LEU  15          HB1       LEU  15   5.660  -0.539  -2.102
  126    HG   LEU  15           HG       LEU  15   6.388   1.658  -0.862
  127   1HD1  LEU  15          HD11      LEU  15   6.556   2.743  -3.623
  128   2HD1  LEU  15          HD12      LEU  15   8.008   2.037  -2.910
  129   3HD1  LEU  15          HD13      LEU  15   7.198   3.387  -2.111
  130   1HD2  LEU  15          HD21      LEU  15   4.496   2.820  -1.915
  131   2HD2  LEU  15          HD22      LEU  15   4.117   1.141  -1.530
  132   3HD2  LEU  15          HD23      LEU  15   4.479   1.605  -3.193
  133    H    TRP  16           HN       TRP  16   7.524   0.638   0.684
  134    HA   TRP  16           HA       TRP  16   9.222   2.850   0.222
  135   1HB   TRP  16          HB2       TRP  16   7.466   1.994   2.249
  136   2HB   TRP  16          HB1       TRP  16   9.036   2.162   3.025
  137    HD1  TRP  16           HD1      TRP  16   9.400   4.477   4.005
  138    HE1  TRP  16           HE1      TRP  16   8.600   6.866   3.479
  139    HE3  TRP  16           HE3      TRP  16   6.572   3.490  -0.137
  140    HZ2  TRP  16           HZ2      TRP  16   6.981   8.160   1.562
  141    HZ3  TRP  16           HZ3      TRP  16   5.427   5.359  -1.256
  142    HH2  TRP  16           HH2      TRP  16   5.629   7.645  -0.422
  143    H    TYR  17           HN       TYR  17   9.680  -0.332   1.606
  144    HA   TYR  17           HA       TYR  17  12.310   0.071   2.588
  145   1HB   TYR  17          HB2       TYR  17  11.581  -1.839   3.560
  146   2HB   TYR  17          HB1       TYR  17  10.430  -2.161   2.269
  147    HD1  TYR  17           HD1      TYR  17  13.986  -2.537   3.255
  148    HD2  TYR  17           HD2      TYR  17  10.895  -3.771   0.604
  149    HE1  TYR  17           HE1      TYR  17  15.420  -4.361   2.442
  150    HE2  TYR  17           HE2      TYR  17  12.320  -5.599  -0.216
  151    HH   TYR  17           HH       TYR  17  14.502  -6.343  -0.290
  152    H    ILE  18           HN       ILE  18  10.948  -0.777  -0.500
  153    HA   ILE  18           HA       ILE  18  13.408  -1.640  -1.692
  154    HB   ILE  18           HB       ILE  18  10.838  -0.775  -3.030
  155   1HG1  ILE  18          HG12      ILE  18  11.691  -3.625  -2.673
  156   2HG1  ILE  18          HG11      ILE  18  10.902  -2.789  -1.339
  157   1HG2  ILE  18          HG21      ILE  18  12.953  -2.579  -4.169
  158   2HG2  ILE  18          HG22      ILE  18  12.992  -0.830  -4.393
  159   3HG2  ILE  18          HG23      ILE  18  11.629  -1.767  -5.004
  160   1HD1  ILE  18          HD11      ILE  18   8.898  -2.667  -2.425
  161   2HD1  ILE  18          HD12      ILE  18   9.525  -4.183  -3.070
  162   3HD1  ILE  18          HD13      ILE  18   9.636  -2.705  -4.026
  163    H    LYS  19           HN       LYS  19  11.624   1.370  -1.456
  164    HA   LYS  19           HA       LYS  19  13.055   2.801  -3.434
  165   1HB   LYS  19          HB2       LYS  19  11.407   3.653  -1.062
  166   2HB   LYS  19          HB1       LYS  19  12.203   4.825  -2.104
  167   1HG   LYS  19          HG2       LYS  19  10.619   2.824  -3.536
  168   2HG   LYS  19          HG1       LYS  19   9.686   3.869  -2.462
  169   1HD   LYS  19          HD2       LYS  19  10.854   5.826  -3.544
  170   2HD   LYS  19          HD1       LYS  19  11.482   4.687  -4.737
  171   1HE   LYS  19          HE2       LYS  19   9.615   5.186  -5.877
  172   2HE   LYS  19          HE1       LYS  19   8.839   4.067  -4.755
  173   1HZ   LYS  19          HZ1       LYS  19   7.548   6.018  -4.716
  174   2HZ   LYS  19          HZ2       LYS  19   8.901   7.029  -4.620
  175   3HZ   LYS  19          HZ3       LYS  19   8.463   6.077  -3.293
  176   1HN   NH2  20          HN1       LYS  19  13.519   3.040   0.215
  177   2HN   NH2  20          HN2       LYS  19  14.698   4.271  -0.066
  Start of MODEL    9
    1   1H    LYS   1          HT1       LYS   1 -15.919  -1.049   5.635
    2   2H    LYS   1          HT2       LYS   1 -15.763  -2.655   5.127
    3   3H    LYS   1          HT3       LYS   1 -17.299  -1.969   5.303
    4    HA   LYS   1           HA       LYS   1 -17.214  -1.595   3.128
    5   1HB   LYS   1          HB2       LYS   1 -16.337   0.581   4.557
    6   2HB   LYS   1          HB1       LYS   1 -15.089   0.426   3.327
    7   1HG   LYS   1          HG2       LYS   1 -17.563   0.134   2.014
    8   2HG   LYS   1          HG1       LYS   1 -17.714   1.515   3.103
    9   1HD   LYS   1          HD2       LYS   1 -15.994   2.681   2.066
   10   2HD   LYS   1          HD1       LYS   1 -15.302   1.222   1.355
   11   1HE   LYS   1          HE2       LYS   1 -16.314   1.954  -0.518
   12   2HE   LYS   1          HE1       LYS   1 -17.746   1.222   0.204
   13   1HZ   LYS   1          HZ1       LYS   1 -18.315   3.388   1.143
   14   2HZ   LYS   1          HZ2       LYS   1 -18.213   3.458  -0.544
   15   3HZ   LYS   1          HZ3       LYS   1 -16.958   4.080   0.405
   16    H    TRP   2           HN       TRP   2 -15.474  -0.832   1.249
   17    HA   TRP   2           HA       TRP   2 -13.409  -2.931   1.310
   18   1HB   TRP   2          HB2       TRP   2 -13.654  -3.179  -1.065
   19   2HB   TRP   2          HB1       TRP   2 -15.263  -3.242  -0.354
   20    HD1  TRP   2           HD1      TRP   2 -16.894  -1.148  -0.823
   21    HE1  TRP   2           HE1      TRP   2 -16.880   0.636  -2.678
   22    HE3  TRP   2           HE3      TRP   2 -12.126  -1.799  -2.542
   23    HZ2  TRP   2           HZ2      TRP   2 -15.082   1.634  -4.614
   24    HZ3  TRP   2           HZ3      TRP   2 -11.335  -0.390  -4.397
   25    HH2  TRP   2           HH2      TRP   2 -12.785   1.291  -5.411
   26    H    ALA   3           HN       ALA   3 -13.788   0.316   1.550
   27    HA   ALA   3           HA       ALA   3 -11.642   1.196  -0.150
   28   1HB   ALA   3          HB1       ALA   3 -13.177   2.582   2.042
   29   2HB   ALA   3          HB2       ALA   3 -13.405   2.746   0.301
   30   3HB   ALA   3          HB3       ALA   3 -11.936   3.361   1.060
   31    H    SER   4           HN       SER   4 -11.159  -0.890   1.973
   32    HA   SER   4           HA       SER   4  -8.997   0.501   3.409
   33   1HB   SER   4          HB2       SER   4  -9.293  -0.907   5.264
   34   2HB   SER   4          HB1       SER   4 -10.942  -0.557   4.748
   35    HG   SER   4           HG       SER   4  -9.825  -2.916   5.028
   36    H    LEU   5           HN       LEU   5  -8.978  -0.745   0.713
   37    HA   LEU   5           HA       LEU   5  -6.881  -2.751   1.215
   38   1HB   LEU   5          HB2       LEU   5  -7.491  -3.879  -0.824
   39   2HB   LEU   5          HB1       LEU   5  -8.900  -3.740   0.210
   40    HG   LEU   5           HG       LEU   5  -9.278  -1.552  -1.290
   41   1HD1  LEU   5          HD11      LEU   5  -8.568  -1.773  -3.504
   42   2HD1  LEU   5          HD12      LEU   5  -8.101  -3.459  -3.282
   43   3HD1  LEU   5          HD13      LEU   5  -7.139  -2.174  -2.552
   44   1HD2  LEU   5          HD21      LEU   5 -10.055  -4.406  -1.745
   45   2HD2  LEU   5          HD22      LEU   5 -10.619  -3.134  -2.827
   46   3HD2  LEU   5          HD23      LEU   5 -11.021  -3.074  -1.110
   47    H    TRP   6           HN       TRP   6  -7.544   0.302   0.050
   48    HA   TRP   6           HA       TRP   6  -5.368   0.255  -1.905
   49   1HB   TRP   6          HB2       TRP   6  -6.368   1.996  -2.959
   50   2HB   TRP   6          HB1       TRP   6  -7.789   1.450  -2.079
   51    HD1  TRP   6           HD1      TRP   6  -8.797   3.072  -0.281
   52    HE1  TRP   6           HE1      TRP   6  -8.263   5.486   0.435
   53    HE3  TRP   6           HE3      TRP   6  -4.314   3.657  -2.668
   54    HZ2  TRP   6           HZ2      TRP   6  -6.212   7.387   0.040
   55    HZ3  TRP   6           HZ3      TRP   6  -3.130   5.802  -2.447
   56    HH2  TRP   6           HH2      TRP   6  -4.062   7.629  -1.122
   57    H    ASN   7           HN       ASN   7  -6.259   1.638   1.196
   58    HA   ASN   7           HA       ASN   7  -4.296   3.576   1.475
   59   1HB   ASN   7          HB2       ASN   7  -4.479   2.619   4.021
   60   2HB   ASN   7          HB1       ASN   7  -5.620   3.745   3.295
   61   1HD2  ASN   7          HD21      ASN   7  -5.046   0.242   3.146
   62   2HD2  ASN   7          HD22      ASN   7  -6.684  -0.208   3.459
   63    H    TRP   8           HN       TRP   8  -3.947   0.181   1.352
   64    HA   TRP   8           HA       TRP   8  -1.182   0.383   2.349
   65   1HB   TRP   8          HB2       TRP   8  -1.368  -1.658   3.324
   66   2HB   TRP   8          HB1       TRP   8  -3.088  -1.289   3.289
   67    HD1  TRP   8           HD1      TRP   8  -4.599  -2.656   1.574
   68    HE1  TRP   8           HE1      TRP   8  -4.187  -4.829   0.251
   69    HE3  TRP   8           HE3      TRP   8   0.461  -2.965   2.111
   70    HZ2  TRP   8           HZ2      TRP   8  -1.987  -6.458  -0.469
   71    HZ3  TRP   8           HZ3      TRP   8   1.649  -4.845   1.080
   72    HH2  TRP   8           HH2      TRP   8   0.453  -6.562  -0.185
   73    H    PHE   9           HN       PHE   9  -3.211  -0.418  -0.334
   74    HA   PHE   9           HA       PHE   9  -1.358  -1.919  -1.850
   75   1HB   PHE   9          HB2       PHE   9  -4.000  -1.081  -2.156
   76   2HB   PHE   9          HB1       PHE   9  -3.140  -0.295  -3.475
   77    HD1  PHE   9           HD1      PHE   9  -3.430  -3.635  -1.839
   78    HD2  PHE   9           HD2      PHE   9  -2.883  -1.444  -5.447
   79    HE1  PHE   9           HE1      PHE   9  -3.490  -5.735  -3.120
   80    HE2  PHE   9           HE2      PHE   9  -2.943  -3.541  -6.734
   81    HZ   PHE   9           HZ       PHE   9  -3.247  -5.690  -5.570
   82    H    ASN  10           HN       ASN  10  -1.689   1.444  -1.181
   83    HA   ASN  10           HA       ASN  10   0.057   2.238  -3.371
   84   1HB   ASN  10          HB2       ASN  10  -0.385   4.498  -2.714
   85   2HB   ASN  10          HB1       ASN  10  -1.917   3.633  -2.640
   86   1HD2  ASN  10          HD21      ASN  10   0.457   5.372  -0.898
   87   2HD2  ASN  10          HD22      ASN  10  -0.321   5.333   0.644
   88    H    ILE  11           HN       ILE  11   0.367   1.012  -0.306
   89    HA   ILE  11           HA       ILE  11   2.730   2.492   0.472
   90    HB   ILE  11           HB       ILE  11   1.581  -0.001   1.729
   91   1HG1  ILE  11          HG12      ILE  11   1.059   2.923   2.300
   92   2HG1  ILE  11          HG11      ILE  11  -0.112   1.719   1.767
   93   1HG2  ILE  11          HG21      ILE  11   4.028   1.125   2.131
   94   2HG2  ILE  11          HG22      ILE  11   3.154   0.159   3.319
   95   3HG2  ILE  11          HG23      ILE  11   3.060   1.919   3.374
   96   1HD1  ILE  11          HD11      ILE  11  -0.408   2.188   4.109
   97   2HD1  ILE  11          HD12      ILE  11   1.282   1.805   4.434
   98   3HD1  ILE  11          HD13      ILE  11   0.177   0.537   3.904
   99    H    THR  12           HN       THR  12   1.928  -0.513  -1.101
  100    HA   THR  12           HA       THR  12   4.399  -1.840  -0.779
  101    HB   THR  12           HB       THR  12   3.483  -2.751  -3.202
  102    HG1  THR  12           HG1      THR  12   1.652  -1.351  -3.057
  103   1HG2  THR  12          HG21      THR  12   3.673  -3.653  -0.555
  104   2HG2  THR  12          HG22      THR  12   3.384  -4.626  -1.998
  105   3HG2  THR  12          HG23      THR  12   2.022  -4.010  -1.063
  106    H    ASN  13           HN       ASN  13   3.857   1.038  -2.251
  107    HA   ASN  13           HA       ASN  13   5.668   0.639  -4.495
  108   1HB   ASN  13          HB2       ASN  13   3.695   2.669  -3.699
  109   2HB   ASN  13          HB1       ASN  13   5.156   3.329  -4.428
  110   1HD2  ASN  13          HD21      ASN  13   2.319   1.411  -4.920
  111   2HD2  ASN  13          HD22      ASN  13   2.435   1.308  -6.640
  112    H    TRP  14           HN       TRP  14   5.530   2.490  -1.463
  113    HA   TRP  14           HA       TRP  14   8.333   3.245  -1.828
  114   1HB   TRP  14          HB2       TRP  14   7.821   4.555   0.377
  115   2HB   TRP  14          HB1       TRP  14   7.232   5.162  -1.164
  116    HD1  TRP  14           HD1      TRP  14   4.545   4.432  -1.692
  117    HE1  TRP  14           HE1      TRP  14   2.573   4.462  -0.047
  118    HE3  TRP  14           HE3      TRP  14   7.157   4.313   2.695
  119    HZ2  TRP  14           HZ2      TRP  14   2.174   4.451   2.750
  120    HZ3  TRP  14           HZ3      TRP  14   5.906   4.333   4.814
  121    HH2  TRP  14           HH2      TRP  14   3.466   4.398   4.839
  122    H    LEU  15           HN       LEU  15   6.228   1.481   0.394
  123    HA   LEU  15           HA       LEU  15   8.125   0.910   2.366
  124   1HB   LEU  15          HB2       LEU  15   6.519  -0.378   3.289
  125   2HB   LEU  15          HB1       LEU  15   5.499   0.363   2.075
  126    HG   LEU  15           HG       LEU  15   6.243  -1.710   0.636
  127   1HD1  LEU  15          HD11      LEU  15   6.839  -3.628   1.778
  128   2HD1  LEU  15          HD12      LEU  15   6.275  -3.004   3.329
  129   3HD1  LEU  15          HD13      LEU  15   7.768  -2.387   2.620
  130   1HD2  LEU  15          HD21      LEU  15   4.190  -1.775   2.840
  131   2HD2  LEU  15          HD22      LEU  15   4.273  -2.940   1.518
  132   3HD2  LEU  15          HD23      LEU  15   3.953  -1.240   1.176
  133    H    TRP  16           HN       TRP  16   7.450  -0.581  -0.732
  134    HA   TRP  16           HA       TRP  16   9.067  -2.875  -0.450
  135   1HB   TRP  16          HB2       TRP  16   7.425  -1.779  -2.431
  136   2HB   TRP  16          HB1       TRP  16   9.028  -1.815  -3.157
  137    HD1  TRP  16           HD1      TRP  16   9.529  -3.979  -4.394
  138    HE1  TRP  16           HE1      TRP  16   8.730  -6.423  -4.258
  139    HE3  TRP  16           HE3      TRP  16   6.394  -3.586  -0.376
  140    HZ2  TRP  16           HZ2      TRP  16   6.998  -7.977  -2.660
  141    HZ3  TRP  16           HZ3      TRP  16   5.202  -5.597   0.392
  142    HH2  TRP  16           HH2      TRP  16   5.499  -7.745  -0.728
  143    H    TYR  17           HN       TYR  17   9.711   0.446  -1.184
  144    HA   TYR  17           HA       TYR  17  12.395   0.044  -2.124
  145   1HB   TYR  17          HB2       TYR  17  11.691   2.024  -3.000
  146   2HB   TYR  17          HB1       TYR  17  10.564   2.324  -1.681
  147    HD1  TYR  17           HD1      TYR  17  11.138   3.773   0.100
  148    HD2  TYR  17           HD2      TYR  17  14.125   2.571  -2.682
  149    HE1  TYR  17           HE1      TYR  17  12.674   5.453   1.031
  150    HE2  TYR  17           HE2      TYR  17  15.669   4.247  -1.756
  151    HH   TYR  17           HH       TYR  17  14.902   6.057   1.132
  152    H    ILE  18           HN       ILE  18  10.816   0.743   0.916
  153    HA   ILE  18           HA       ILE  18  13.136   1.496   2.370
  154    HB   ILE  18           HB       ILE  18  10.553   0.338   3.427
  155   1HG1  ILE  18          HG12      ILE  18  11.283   3.257   3.311
  156   2HG1  ILE  18          HG11      ILE  18  10.467   2.465   1.967
  157   1HG2  ILE  18          HG21      ILE  18  11.444   0.501   5.452
  158   2HG2  ILE  18          HG22      ILE  18  11.796   2.208   5.181
  159   3HG2  ILE  18          HG23      ILE  18  12.979   0.981   4.728
  160   1HD1  ILE  18          HD11      ILE  18   9.277   3.646   4.157
  161   2HD1  ILE  18          HD12      ILE  18   9.164   1.918   4.489
  162   3HD1  ILE  18          HD13      ILE  18   8.505   2.573   2.990
  163    H    LYS  19           HN       LYS  19  11.282  -1.549   2.258
  164    HA   LYS  19           HA       LYS  19  13.032  -3.002   3.925
  165   1HB   LYS  19          HB2       LYS  19  10.790  -3.647   2.095
  166   2HB   LYS  19          HB1       LYS  19  11.899  -4.961   2.463
  167   1HG   LYS  19          HG2       LYS  19  11.480  -4.709   4.826
  168   2HG   LYS  19          HG1       LYS  19  10.456  -3.303   4.522
  169   1HD   LYS  19          HD2       LYS  19   9.014  -4.828   3.106
  170   2HD   LYS  19          HD1       LYS  19   9.941  -6.174   3.772
  171   1HE   LYS  19          HE2       LYS  19   9.304  -5.420   6.047
  172   2HE   LYS  19          HE1       LYS  19   8.288  -4.177   5.315
  173   1HZ   LYS  19          HZ1       LYS  19   6.776  -5.721   4.571
  174   2HZ   LYS  19          HZ2       LYS  19   7.273  -6.463   6.008
  175   3HZ   LYS  19          HZ3       LYS  19   7.899  -6.986   4.527
  176   1HN   NH2  20          HN1       LYS  19  13.432  -1.990   0.665
  177   2HN   NH2  20          HN2       LYS  19  14.843  -2.940   0.362
  Start of MODEL   10
    1   1H    LYS   1          HT1       LYS   1  17.894  -0.317   4.463
    2   2H    LYS   1          HT2       LYS   1  16.256  -0.735   4.529
    3   3H    LYS   1          HT3       LYS   1  16.722   0.883   4.685
    4    HA   LYS   1           HA       LYS   1  17.723   0.648   2.380
    5   1HB   LYS   1          HB2       LYS   1  16.853  -1.979   2.853
    6   2HB   LYS   1          HB1       LYS   1  15.750  -1.336   1.645
    7   1HG   LYS   1          HG2       LYS   1  17.826  -0.602   0.372
    8   2HG   LYS   1          HG1       LYS   1  18.729  -1.640   1.478
    9   1HD   LYS   1          HD2       LYS   1  18.306  -3.281   0.017
   10   2HD   LYS   1          HD1       LYS   1  16.666  -3.263   0.667
   11   1HE   LYS   1          HE2       LYS   1  16.420  -1.299  -1.116
   12   2HE   LYS   1          HE1       LYS   1  17.712  -2.209  -1.898
   13   1HZ   LYS   1          HZ1       LYS   1  15.698  -3.976  -1.014
   14   2HZ   LYS   1          HZ2       LYS   1  16.242  -3.694  -2.590
   15   3HZ   LYS   1          HZ3       LYS   1  14.994  -2.752  -1.946
   16    H    TRP   2           HN       TRP   2  15.967   0.702   0.414
   17    HA   TRP   2           HA       TRP   2  14.022   2.677   1.309
   18   1HB   TRP   2          HB2       TRP   2  13.775   3.222  -1.065
   19   2HB   TRP   2          HB1       TRP   2  15.473   3.227  -0.600
   20    HD1  TRP   2           HD1      TRP   2  17.041   1.339  -1.646
   21    HE1  TRP   2           HE1      TRP   2  16.744  -0.233  -3.662
   22    HE3  TRP   2           HE3      TRP   2  12.008   1.880  -2.363
   23    HZ2  TRP   2           HZ2      TRP   2  14.651  -1.124  -5.334
   24    HZ3  TRP   2           HZ3      TRP   2  10.936   0.634  -4.193
   25    HH2  TRP   2           HH2      TRP   2  12.232  -0.837  -5.648
   26    H    ALA   3           HN       ALA   3  13.999  -0.550   1.084
   27    HA   ALA   3           HA       ALA   3  11.589  -1.040  -0.371
   28   1HB   ALA   3          HB1       ALA   3  11.966  -3.177   1.374
   29   2HB   ALA   3          HB2       ALA   3  13.590  -2.601   0.996
   30   3HB   ALA   3          HB3       ALA   3  12.494  -3.066  -0.305
   31    H    SER   4           HN       SER   4  11.577   0.928   1.935
   32    HA   SER   4           HA       SER   4   9.467  -0.321   3.558
   33   1HB   SER   4          HB2       SER   4  10.847   2.246   4.292
   34   2HB   SER   4          HB1       SER   4  10.051   1.076   5.345
   35    HG   SER   4           HG       SER   4  11.768  -0.308   5.083
   36    H    LEU   5           HN       LEU   5   9.047   0.751   0.897
   37    HA   LEU   5           HA       LEU   5   7.084   2.823   1.588
   38   1HB   LEU   5          HB2       LEU   5   7.582   4.057  -0.432
   39   2HB   LEU   5          HB1       LEU   5   9.025   3.908   0.552
   40    HG   LEU   5           HG       LEU   5   9.386   1.788  -1.064
   41   1HD1  LEU   5          HD11      LEU   5   7.179   2.921  -2.218
   42   2HD1  LEU   5          HD12      LEU   5   8.329   1.859  -3.030
   43   3HD1  LEU   5          HD13      LEU   5   8.499   3.610  -3.163
   44   1HD2  LEU   5          HD21      LEU   5  11.186   3.163  -1.007
   45   2HD2  LEU   5          HD22      LEU   5  10.213   4.626  -1.161
   46   3HD2  LEU   5          HD23      LEU   5  10.561   3.644  -2.584
   47    H    TRP   6           HN       TRP   6   7.477  -0.208   0.524
   48    HA   TRP   6           HA       TRP   6   5.326  -0.042  -1.472
   49   1HB   TRP   6          HB2       TRP   6   6.121  -1.975  -2.469
   50   2HB   TRP   6          HB1       TRP   6   7.615  -1.238  -1.905
   51    HD1  TRP   6           HD1      TRP   6   8.973  -2.508  -0.020
   52    HE1  TRP   6           HE1      TRP   6   8.783  -4.869   0.988
   53    HE3  TRP   6           HE3      TRP   6   4.366  -3.794  -1.825
   54    HZ2  TRP   6           HZ2      TRP   6   6.927  -6.994   1.014
   55    HZ3  TRP   6           HZ3      TRP   6   3.455  -6.008  -1.261
   56    HH2  TRP   6           HH2      TRP   6   4.711  -7.575   0.128
   57    H    ASN   7           HN       ASN   7   6.188  -1.355   1.633
   58    HA   ASN   7           HA       ASN   7   4.255  -3.314   1.964
   59   1HB   ASN   7          HB2       ASN   7   4.535  -1.866   4.421
   60   2HB   ASN   7          HB1       ASN   7   5.184  -3.444   3.992
   61   1HD2  ASN   7          HD21      ASN   7   5.817  -0.048   4.224
   62   2HD2  ASN   7          HD22      ASN   7   7.528  -0.141   4.008
   63    H    TRP   8           HN       TRP   8   3.890   0.093   1.806
   64    HA   TRP   8           HA       TRP   8   1.087  -0.133   2.689
   65   1HB   TRP   8          HB2       TRP   8   1.233   1.880   3.720
   66   2HB   TRP   8          HB1       TRP   8   2.955   1.522   3.735
   67    HD1  TRP   8           HD1      TRP   8   4.511   2.915   2.068
   68    HE1  TRP   8           HE1      TRP   8   4.126   5.127   0.801
   69    HE3  TRP   8           HE3      TRP   8  -0.553   3.228   2.528
   70    HZ2  TRP   8           HZ2      TRP   8   1.947   6.785   0.094
   71    HZ3  TRP   8           HZ3      TRP   8  -1.719   5.143   1.535
   72    HH2  TRP   8           HH2      TRP   8  -0.496   6.891   0.340
   73    H    PHE   9           HN       PHE   9   3.227   0.732   0.118
   74    HA   PHE   9           HA       PHE   9   1.496   2.282  -1.462
   75   1HB   PHE   9          HB2       PHE   9   4.082   1.578  -1.672
   76   2HB   PHE   9          HB1       PHE   9   3.389   0.454  -2.833
   77    HD1  PHE   9           HD1      PHE   9   3.908   3.999  -2.024
   78    HD2  PHE   9           HD2      PHE   9   2.525   1.208  -4.925
   79    HE1  PHE   9           HE1      PHE   9   3.875   5.782  -3.718
   80    HE2  PHE   9           HE2      PHE   9   2.490   2.987  -6.624
   81    HZ   PHE   9           HZ       PHE   9   3.165   5.278  -6.022
   82    H    ASN  10           HN       ASN  10   1.582  -1.090  -0.782
   83    HA   ASN  10           HA       ASN  10  -0.100  -1.746  -3.070
   84   1HB   ASN  10          HB2       ASN  10   0.764  -3.807  -2.892
   85   2HB   ASN  10          HB1       ASN  10   1.828  -3.174  -1.642
   86   1HD2  ASN  10          HD21      ASN  10   0.752  -3.063   0.577
   87   2HD2  ASN  10          HD22      ASN  10  -0.157  -4.455   1.045
   88    H    ILE  11           HN       ILE  11  -0.351  -0.938   0.215
   89    HA   ILE  11           HA       ILE  11  -2.791  -2.267   0.823
   90    HB   ILE  11           HB       ILE  11  -1.714   0.232   2.128
   91   1HG1  ILE  11          HG12      ILE  11  -1.132  -2.683   2.702
   92   2HG1  ILE  11          HG11      ILE  11   0.019  -1.468   2.153
   93   1HG2  ILE  11          HG21      ILE  11  -4.023  -1.443   2.577
   94   2HG2  ILE  11          HG22      ILE  11  -3.599   0.108   3.303
   95   3HG2  ILE  11          HG23      ILE  11  -2.983  -1.390   4.001
   96   1HD1  ILE  11          HD11      ILE  11   0.541  -1.377   4.333
   97   2HD1  ILE  11          HD12      ILE  11  -1.023  -2.014   4.844
   98   3HD1  ILE  11          HD13      ILE  11  -0.860  -0.309   4.421
   99    H    THR  12           HN       THR  12  -1.970   0.831  -0.589
  100    HA   THR  12           HA       THR  12  -4.524   2.035  -0.381
  101    HB   THR  12           HB       THR  12  -3.462   3.172  -2.633
  102    HG1  THR  12           HG1      THR  12  -1.113   3.214  -1.447
  103   1HG2  THR  12          HG21      THR  12  -3.259   4.986  -1.305
  104   2HG2  THR  12          HG22      THR  12  -2.263   4.136  -0.123
  105   3HG2  THR  12          HG23      THR  12  -4.017   3.952  -0.094
  106    H    ASN  13           HN       ASN  13  -3.701  -0.704  -1.998
  107    HA   ASN  13           HA       ASN  13  -5.333  -0.219  -4.361
  108   1HB   ASN  13          HB2       ASN  13  -3.658  -2.563  -3.461
  109   2HB   ASN  13          HB1       ASN  13  -4.698  -2.632  -4.880
  110   1HD2  ASN  13          HD21      ASN  13  -2.086  -0.746  -3.427
  111   2HD2  ASN  13          HD22      ASN  13  -1.325  -0.323  -4.919
  112    H    TRP  14           HN       TRP  14  -5.336  -2.340  -1.499
  113    HA   TRP  14           HA       TRP  14  -8.041  -3.210  -2.171
  114   1HB   TRP  14          HB2       TRP  14  -7.650  -4.606   0.019
  115   2HB   TRP  14          HB1       TRP  14  -6.910  -5.098  -1.498
  116    HD1  TRP  14           HD1      TRP  14  -4.227  -4.297  -1.770
  117    HE1  TRP  14           HE1      TRP  14  -2.397  -4.274   0.029
  118    HE3  TRP  14           HE3      TRP  14  -7.189  -4.332   2.393
  119    HZ2  TRP  14           HZ2      TRP  14  -2.226  -4.279   2.850
  120    HZ3  TRP  14           HZ3      TRP  14  -6.115  -4.325   4.605
  121    HH2  TRP  14           HH2      TRP  14  -3.684  -4.299   4.828
  122    H    LEU  15           HN       LEU  15  -6.301  -1.466   0.367
  123    HA   LEU  15           HA       LEU  15  -8.442  -1.143   2.139
  124   1HB   LEU  15          HB2       LEU  15  -7.032   0.155   3.328
  125   2HB   LEU  15          HB1       LEU  15  -5.837  -0.439   2.195
  126    HG   LEU  15           HG       LEU  15  -6.553   1.695   0.825
  127   1HD1  LEU  15          HD11      LEU  15  -8.257   2.089   2.821
  128   2HD1  LEU  15          HD12      LEU  15  -7.491   3.423   1.957
  129   3HD1  LEU  15          HD13      LEU  15  -6.851   2.898   3.514
  130   1HD2  LEU  15          HD21      LEU  15  -4.318   1.108   1.819
  131   2HD2  LEU  15          HD22      LEU  15  -4.812   1.999   3.258
  132   3HD2  LEU  15          HD23      LEU  15  -4.671   2.833   1.710
  133    H    TRP  16           HN       TRP  16  -7.496   0.644  -0.736
  134    HA   TRP  16           HA       TRP  16  -9.310   2.794  -0.471
  135   1HB   TRP  16          HB2       TRP  16  -7.386   1.923  -2.364
  136   2HB   TRP  16          HB1       TRP  16  -8.902   2.116  -3.234
  137    HD1  TRP  16           HD1      TRP  16  -9.141   4.439  -4.239
  138    HE1  TRP  16           HE1      TRP  16  -8.359   6.815  -3.632
  139    HE3  TRP  16           HE3      TRP  16  -6.676   3.394   0.113
  140    HZ2  TRP  16           HZ2      TRP  16  -6.887   8.079  -1.580
  141    HZ3  TRP  16           HZ3      TRP  16  -5.606   5.241   1.337
  142    HH2  TRP  16           HH2      TRP  16  -5.710   7.535   0.506
  143    H    TYR  17           HN       TYR  17  -9.593  -0.478  -1.550
  144    HA   TYR  17           HA       TYR  17 -12.163  -0.154  -2.807
  145   1HB   TYR  17          HB2       TYR  17 -11.273  -1.986  -3.794
  146   2HB   TYR  17          HB1       TYR  17 -10.182  -2.292  -2.448
  147    HD1  TYR  17           HD1      TYR  17 -13.609  -2.865  -3.716
  148    HD2  TYR  17           HD2      TYR  17 -10.697  -3.930  -0.802
  149    HE1  TYR  17           HE1      TYR  17 -14.987  -4.790  -3.050
  150    HE2  TYR  17           HE2      TYR  17 -12.068  -5.859  -0.129
  151    HH   TYR  17           HH       TYR  17 -13.920  -7.020  -0.497
  152    H    ILE  18           HN       ILE  18 -10.919  -0.888   0.339
  153    HA   ILE  18           HA       ILE  18 -13.331  -2.014   1.396
  154    HB   ILE  18           HB       ILE  18 -10.942  -0.864   2.849
  155   1HG1  ILE  18          HG12      ILE  18 -11.572  -3.779   2.396
  156   2HG1  ILE  18          HG11      ILE  18 -10.603  -2.852   1.255
  157   1HG2  ILE  18          HG21      ILE  18 -13.450  -2.140   3.753
  158   2HG2  ILE  18          HG22      ILE  18 -12.418  -0.962   4.563
  159   3HG2  ILE  18          HG23      ILE  18 -11.967  -2.668   4.549
  160   1HD1  ILE  18          HD11      ILE  18  -9.712  -4.210   3.502
  161   2HD1  ILE  18          HD12      ILE  18  -9.643  -2.505   3.947
  162   3HD1  ILE  18          HD13      ILE  18  -8.795  -3.076   2.510
  163    H    LYS  19           HN       LYS  19 -11.864   1.185   1.311
  164    HA   LYS  19           HA       LYS  19 -14.031   2.292   2.923
  165   1HB   LYS  19          HB2       LYS  19 -11.320   3.151   2.147
  166   2HB   LYS  19          HB1       LYS  19 -12.517   4.438   2.208
  167   1HG   LYS  19          HG2       LYS  19 -13.094   3.453   4.533
  168   2HG   LYS  19          HG1       LYS  19 -11.507   2.690   4.409
  169   1HD   LYS  19          HD2       LYS  19 -10.863   5.201   3.700
  170   2HD   LYS  19          HD1       LYS  19 -12.231   5.534   4.764
  171   1HE   LYS  19          HE2       LYS  19 -10.549   3.561   5.972
  172   2HE   LYS  19          HE1       LYS  19  -9.565   4.940   5.478
  173   1HZ   LYS  19          HZ1       LYS  19 -12.045   5.152   7.106
  174   2HZ   LYS  19          HZ2       LYS  19 -10.975   6.406   6.729
  175   3HZ   LYS  19          HZ3       LYS  19 -10.480   5.151   7.750
  176   1HN   NH2  20          HN1       LYS  19 -13.428   2.199  -0.716
  177   2HN   NH2  20          HN2       LYS  19 -13.329   3.923  -0.673
  Start of MODEL   11
    1   1H    LYS   1          HT1       LYS   1  16.486   2.900  -3.224
    2   2H    LYS   1          HT2       LYS   1  16.223   1.422  -4.003
    3   3H    LYS   1          HT3       LYS   1  17.800   1.922  -3.650
    4    HA   LYS   1           HA       LYS   1  17.693   0.779  -1.781
    5   1HB   LYS   1          HB2       LYS   1  16.151   3.208  -1.402
    6   2HB   LYS   1          HB1       LYS   1  15.615   1.938  -0.309
    7   1HG   LYS   1          HG2       LYS   1  18.030   1.641   0.344
    8   2HG   LYS   1          HG1       LYS   1  18.366   3.120  -0.559
    9   1HD   LYS   1          HD2       LYS   1  18.020   4.041   1.492
   10   2HD   LYS   1          HD1       LYS   1  16.347   4.014   0.928
   11   1HE   LYS   1          HE2       LYS   1  15.815   2.151   2.224
   12   2HE   LYS   1          HE1       LYS   1  17.505   1.691   2.427
   13   1HZ   LYS   1          HZ1       LYS   1  17.664   3.931   3.667
   14   2HZ   LYS   1          HZ2       LYS   1  16.980   2.603   4.459
   15   3HZ   LYS   1          HZ3       LYS   1  15.983   3.801   3.804
   16    H    TRP   2           HN       TRP   2  15.954  -0.168  -0.038
   17    HA   TRP   2           HA       TRP   2  14.414  -2.059  -1.595
   18   1HB   TRP   2          HB2       TRP   2  13.993  -3.128   0.625
   19   2HB   TRP   2          HB1       TRP   2  15.703  -2.932   0.251
   20    HD1  TRP   2           HD1      TRP   2  17.118  -1.308   1.789
   21    HE1  TRP   2           HE1      TRP   2  16.633  -0.168   4.045
   22    HE3  TRP   2           HE3      TRP   2  12.070  -2.064   2.010
   23    HZ2  TRP   2           HZ2      TRP   2  14.400   0.343   5.701
   24    HZ3  TRP   2           HZ3      TRP   2  10.832  -1.221   3.960
   25    HH2  TRP   2           HH2      TRP   2  11.972  -0.042   5.766
   26    H    ALA   3           HN       ALA   3  13.714   0.932  -0.961
   27    HA   ALA   3           HA       ALA   3  11.210   0.766   0.420
   28   1HB   ALA   3          HB1       ALA   3  11.851   2.891   0.688
   29   2HB   ALA   3          HB2       ALA   3  11.138   3.157  -0.903
   30   3HB   ALA   3          HB3       ALA   3  12.871   2.865  -0.750
   31    H    SER   4           HN       SER   4  11.538  -0.939  -1.986
   32    HA   SER   4           HA       SER   4   9.482   0.196  -3.746
   33   1HB   SER   4          HB2       SER   4  10.403  -2.249  -4.808
   34   2HB   SER   4          HB1       SER   4  10.768  -0.623  -5.384
   35    HG   SER   4           HG       SER   4  12.389  -2.387  -4.179
   36    H    LEU   5           HN       LEU   5   8.903  -0.909  -1.111
   37    HA   LEU   5           HA       LEU   5   7.041  -3.015  -1.962
   38   1HB   LEU   5          HB2       LEU   5   7.390  -4.179   0.179
   39   2HB   LEU   5          HB1       LEU   5   8.834  -4.147  -0.814
   40    HG   LEU   5           HG       LEU   5   9.284  -1.964   0.707
   41   1HD1  LEU   5          HD11      LEU   5   7.153  -2.419   1.956
   42   2HD1  LEU   5          HD12      LEU   5   8.601  -2.308   2.957
   43   3HD1  LEU   5          HD13      LEU   5   7.913  -3.885   2.575
   44   1HD2  LEU   5          HD21      LEU   5   9.984  -4.844   0.998
   45   2HD2  LEU   5          HD22      LEU   5  10.488  -3.713   2.254
   46   3HD2  LEU   5          HD23      LEU   5  11.009  -3.469   0.587
   47    H    TRP   6           HN       TRP   6   7.579  -0.077  -0.400
   48    HA   TRP   6           HA       TRP   6   5.165  -0.254   1.228
   49   1HB   TRP   6          HB2       TRP   6   5.951   1.525   2.444
   50   2HB   TRP   6          HB1       TRP   6   7.482   0.890   1.853
   51    HD1  TRP   6           HD1      TRP   6   8.851   2.381   0.152
   52    HE1  TRP   6           HE1      TRP   6   8.622   4.828  -0.615
   53    HE3  TRP   6           HE3      TRP   6   4.156   3.357   1.929
   54    HZ2  TRP   6           HZ2      TRP   6   6.707   6.896  -0.485
   55    HZ3  TRP   6           HZ3      TRP   6   3.197   5.593   1.563
   56    HH2  TRP   6           HH2      TRP   6   4.449   7.326   0.383
   57    H    ASN   7           HN       ASN   7   6.301   1.121  -1.752
   58    HA   ASN   7           HA       ASN   7   4.512   3.190  -2.163
   59   1HB   ASN   7          HB2       ASN   7   4.746   1.936  -4.659
   60   2HB   ASN   7          HB1       ASN   7   5.725   3.262  -4.042
   61   1HD2  ASN   7          HD21      ASN   7   5.475  -0.265  -3.727
   62   2HD2  ASN   7          HD22      ASN   7   7.175  -0.562  -3.807
   63    H    TRP   8           HN       TRP   8   3.936  -0.195  -2.113
   64    HA   TRP   8           HA       TRP   8   1.176   0.243  -3.046
   65   1HB   TRP   8          HB2       TRP   8   1.218  -1.708  -4.203
   66   2HB   TRP   8          HB1       TRP   8   2.957  -1.448  -4.180
   67    HD1  TRP   8           HD1      TRP   8   4.419  -3.060  -2.655
   68    HE1  TRP   8           HE1      TRP   8   3.900  -5.317  -1.521
   69    HE3  TRP   8           HE3      TRP   8  -0.667  -2.999  -3.046
   70    HZ2  TRP   8           HZ2      TRP   8   1.619  -6.864  -0.879
   71    HZ3  TRP   8           HZ3      TRP   8  -1.946  -4.891  -2.151
   72    HH2  TRP   8           HH2      TRP   8  -0.830  -6.788  -1.089
   73    H    PHE   9           HN       PHE   9   3.214  -0.848  -0.492
   74    HA   PHE   9           HA       PHE   9   1.344  -2.389   0.958
   75   1HB   PHE   9          HB2       PHE   9   3.970  -1.953   1.257
   76   2HB   PHE   9          HB1       PHE   9   3.372  -0.802   2.447
   77    HD1  PHE   9           HD1      PHE   9   3.807  -4.309   1.610
   78    HD2  PHE   9           HD2      PHE   9   2.119  -1.575   4.400
   79    HE1  PHE   9           HE1      PHE   9   3.549  -6.136   3.238
   80    HE2  PHE   9           HE2      PHE   9   1.858  -3.397   6.034
   81    HZ   PHE   9           HZ       PHE   9   2.573  -5.681   5.453
   82    H    ASN  10           HN       ASN  10   1.710   0.989   0.466
   83    HA   ASN  10           HA       ASN  10   0.148   1.724   2.795
   84   1HB   ASN  10          HB2       ASN  10   1.174   3.697   2.524
   85   2HB   ASN  10          HB1       ASN  10   1.976   3.062   1.091
   86   1HD2  ASN  10          HD21      ASN  10   0.674   3.161  -0.936
   87   2HD2  ASN  10          HD22      ASN  10  -0.294   4.570  -1.192
   88    H    ILE  11           HN       ILE  11  -0.356   0.808  -0.415
   89    HA   ILE  11           HA       ILE  11  -2.803   2.204  -0.890
   90    HB   ILE  11           HB       ILE  11  -1.857  -0.307  -2.266
   91   1HG1  ILE  11          HG12      ILE  11  -1.194   2.587  -2.855
   92   2HG1  ILE  11          HG11      ILE  11  -0.064   1.338  -2.336
   93   1HG2  ILE  11          HG21      ILE  11  -3.672  -0.084  -3.522
   94   2HG2  ILE  11          HG22      ILE  11  -3.190   1.555  -3.962
   95   3HG2  ILE  11          HG23      ILE  11  -4.181   1.282  -2.528
   96   1HD1  ILE  11          HD11      ILE  11  -0.544   0.123  -4.450
   97   2HD1  ILE  11          HD12      ILE  11   0.216   1.698  -4.675
   98   3HD1  ILE  11          HD13      ILE  11  -1.512   1.504  -4.966
   99    H    THR  12           HN       THR  12  -1.928  -0.875   0.524
  100    HA   THR  12           HA       THR  12  -4.497  -2.070   0.433
  101    HB   THR  12           HB       THR  12  -3.404  -3.266   2.590
  102    HG1  THR  12           HG1      THR  12  -1.565  -1.654   2.196
  103   1HG2  THR  12          HG21      THR  12  -2.644  -4.978   1.119
  104   2HG2  THR  12          HG22      THR  12  -2.424  -3.832  -0.204
  105   3HG2  THR  12          HG23      THR  12  -4.048  -4.237   0.352
  106    H    ASN  13           HN       ASN  13  -3.658   0.692   1.929
  107    HA   ASN  13           HA       ASN  13  -5.155   0.236   4.393
  108   1HB   ASN  13          HB2       ASN  13  -3.519   2.563   3.383
  109   2HB   ASN  13          HB1       ASN  13  -4.483   2.646   4.855
  110   1HD2  ASN  13          HD21      ASN  13  -1.478   2.123   3.704
  111   2HD2  ASN  13          HD22      ASN  13  -0.823   1.179   4.994
  112    H    TRP  14           HN       TRP  14  -5.261   2.309   1.506
  113    HA   TRP  14           HA       TRP  14  -7.934   3.210   2.258
  114   1HB   TRP  14          HB2       TRP  14  -7.607   4.562   0.025
  115   2HB   TRP  14          HB1       TRP  14  -6.825   5.081   1.510
  116    HD1  TRP  14           HD1      TRP  14  -4.144   4.181   1.725
  117    HE1  TRP  14           HE1      TRP  14  -2.357   4.164  -0.117
  118    HE3  TRP  14           HE3      TRP  14  -7.199   4.388  -2.367
  119    HZ2  TRP  14           HZ2      TRP  14  -2.251   4.242  -2.938
  120    HZ3  TRP  14           HZ3      TRP  14  -6.174   4.419  -4.602
  121    HH2  TRP  14           HH2      TRP  14  -3.750   4.348  -4.880
  122    H    LEU  15           HN       LEU  15  -6.285   1.426  -0.311
  123    HA   LEU  15           HA       LEU  15  -8.483   1.067  -2.002
  124   1HB   LEU  15          HB2       LEU  15  -7.115  -0.252  -3.214
  125   2HB   LEU  15          HB1       LEU  15  -5.883   0.366  -2.135
  126    HG   LEU  15           HG       LEU  15  -6.532  -1.743  -0.698
  127   1HD1  LEU  15          HD11      LEU  15  -8.341  -2.194  -2.555
  128   2HD1  LEU  15          HD12      LEU  15  -7.472  -3.521  -1.780
  129   3HD1  LEU  15          HD13      LEU  15  -6.976  -2.955  -3.375
  130   1HD2  LEU  15          HD21      LEU  15  -4.782  -3.015  -1.910
  131   2HD2  LEU  15          HD22      LEU  15  -4.322  -1.350  -1.556
  132   3HD2  LEU  15          HD23      LEU  15  -4.832  -1.797  -3.184
  133    H    TRP  16           HN       TRP  16  -7.467  -0.629   0.895
  134    HA   TRP  16           HA       TRP  16  -9.270  -2.800   0.718
  135   1HB   TRP  16          HB2       TRP  16  -7.302  -1.892   2.538
  136   2HB   TRP  16          HB1       TRP  16  -8.798  -2.038   3.455
  137    HD1  TRP  16           HD1      TRP  16  -9.065  -4.332   4.523
  138    HE1  TRP  16           HE1      TRP  16  -8.316  -6.733   3.976
  139    HE3  TRP  16           HE3      TRP  16  -6.649  -3.441   0.106
  140    HZ2  TRP  16           HZ2      TRP  16  -6.887  -8.072   1.940
  141    HZ3  TRP  16           HZ3      TRP  16  -5.618  -5.336  -1.077
  142    HH2  TRP  16           HH2      TRP  16  -5.735  -7.603  -0.179
  143    H    TYR  17           HN       TYR  17  -9.541   0.492   1.770
  144    HA   TYR  17           HA       TYR  17 -12.090   0.175   3.062
  145   1HB   TYR  17          HB2       TYR  17 -11.187   2.028   4.000
  146   2HB   TYR  17          HB1       TYR  17 -10.134   2.326   2.622
  147    HD1  TYR  17           HD1      TYR  17 -10.729   3.904   0.938
  148    HD2  TYR  17           HD2      TYR  17 -13.514   2.902   3.994
  149    HE1  TYR  17           HE1      TYR  17 -12.140   5.804   0.267
  150    HE2  TYR  17           HE2      TYR  17 -14.933   4.798   3.331
  151    HH   TYR  17           HH       TYR  17 -14.942   6.764   2.137
  152    H    ILE  18           HN       ILE  18 -10.896   0.920  -0.111
  153    HA   ILE  18           HA       ILE  18 -13.326   1.997  -1.156
  154    HB   ILE  18           HB       ILE  18 -10.965   0.803  -2.621
  155   1HG1  ILE  18          HG12      ILE  18 -11.561   3.733  -2.285
  156   2HG1  ILE  18          HG11      ILE  18 -10.647   2.853  -1.065
  157   1HG2  ILE  18          HG21      ILE  18 -12.942   0.860  -4.025
  158   2HG2  ILE  18          HG22      ILE  18 -11.794   2.093  -4.547
  159   3HG2  ILE  18          HG23      ILE  18 -13.216   2.552  -3.610
  160   1HD1  ILE  18          HD11      ILE  18  -9.711   2.504  -3.825
  161   2HD1  ILE  18          HD12      ILE  18  -8.803   2.760  -2.335
  162   3HD1  ILE  18          HD13      ILE  18  -9.546   4.130  -3.161
  163    H    LYS  19           HN       LYS  19 -11.651  -1.064  -1.920
  164    HA   LYS  19           HA       LYS  19 -13.839  -2.243  -3.222
  165   1HB   LYS  19          HB2       LYS  19 -11.327  -3.324  -1.986
  166   2HB   LYS  19          HB1       LYS  19 -12.555  -4.426  -2.593
  167   1HG   LYS  19          HG2       LYS  19 -12.204  -3.835  -4.781
  168   2HG   LYS  19          HG1       LYS  19 -11.582  -2.237  -4.362
  169   1HD   LYS  19          HD2       LYS  19  -9.580  -3.408  -3.368
  170   2HD   LYS  19          HD1       LYS  19 -10.182  -4.892  -4.108
  171   1HE   LYS  19          HE2       LYS  19  -8.430  -3.558  -5.400
  172   2HE   LYS  19          HE1       LYS  19  -9.871  -4.075  -6.278
  173   1HZ   LYS  19          HZ1       LYS  19  -9.217  -1.729  -6.693
  174   2HZ   LYS  19          HZ2       LYS  19  -9.547  -1.377  -5.071
  175   3HZ   LYS  19          HZ3       LYS  19 -10.792  -1.891  -6.094
  176   1HN   NH2  20          HN1       LYS  19 -12.997  -2.127   0.207
  177   2HN   NH2  20          HN2       LYS  19 -14.448  -2.902   0.734
  Start of MODEL   12
    1   1H    LYS   1          HT1       LYS   1  15.944   1.669  -5.535
    2   2H    LYS   1          HT2       LYS   1  15.352   0.085  -5.583
    3   3H    LYS   1          HT3       LYS   1  17.011   0.362  -5.400
    4    HA   LYS   1           HA       LYS   1  16.850   0.504  -3.218
    5   1HB   LYS   1          HB2       LYS   1  15.293   2.726  -4.135
    6   2HB   LYS   1          HB1       LYS   1  14.520   2.049  -2.708
    7   1HG   LYS   1          HG2       LYS   1  17.446   2.710  -2.777
    8   2HG   LYS   1          HG1       LYS   1  16.217   3.899  -2.343
    9   1HD   LYS   1          HD2       LYS   1  15.929   3.014  -0.306
   10   2HD   LYS   1          HD1       LYS   1  15.902   1.366  -0.934
   11   1HE   LYS   1          HE2       LYS   1  17.858   1.147   0.142
   12   2HE   LYS   1          HE1       LYS   1  18.529   2.020  -1.234
   13   1HZ   LYS   1          HZ1       LYS   1  17.532   3.367   1.212
   14   2HZ   LYS   1          HZ2       LYS   1  18.445   4.046  -0.040
   15   3HZ   LYS   1          HZ3       LYS   1  19.148   2.911   0.999
   16    H    TRP   2           HN       TRP   2  15.565  -0.216  -1.347
   17    HA   TRP   2           HA       TRP   2  13.766  -2.350  -2.137
   18   1HB   TRP   2          HB2       TRP   2  13.889  -2.969   0.291
   19   2HB   TRP   2          HB1       TRP   2  15.450  -2.928  -0.521
   20    HD1  TRP   2           HD1      TRP   2  17.220  -1.162   0.317
   21    HE1  TRP   2           HE1      TRP   2  17.314   0.404   2.358
   22    HE3  TRP   2           HE3      TRP   2  12.352  -1.514   1.834
   23    HZ2  TRP   2           HZ2      TRP   2  15.555   1.364   4.348
   24    HZ3  TRP   2           HZ3      TRP   2  11.638  -0.241   3.814
   25    HH2  TRP   2           HH2      TRP   2  13.205   1.168   5.044
   26    H    ALA   3           HN       ALA   3  13.254   0.776  -1.761
   27    HA   ALA   3           HA       ALA   3  11.140   0.920   0.131
   28   1HB   ALA   3          HB1       ALA   3  12.505   2.715  -1.648
   29   2HB   ALA   3          HB2       ALA   3  11.595   3.069  -0.179
   30   3HB   ALA   3          HB3       ALA   3  10.762   2.973  -1.731
   31    H    SER   4           HN       SER   4  11.180  -0.876  -2.535
   32    HA   SER   4           HA       SER   4   8.604  -0.151  -3.634
   33   1HB   SER   4          HB2       SER   4  10.405  -0.982  -5.101
   34   2HB   SER   4          HB1       SER   4  10.369  -2.530  -4.257
   35    HG   SER   4           HG       SER   4   8.842  -3.055  -5.586
   36    H    LEU   5           HN       LEU   5   8.974  -1.135  -0.805
   37    HA   LEU   5           HA       LEU   5   6.993  -3.310  -0.947
   38   1HB   LEU   5          HB2       LEU   5   7.894  -4.225   1.121
   39   2HB   LEU   5          HB1       LEU   5   9.123  -4.171  -0.127
   40    HG   LEU   5           HG       LEU   5   9.681  -1.849   1.074
   41   1HD1  LEU   5          HD11      LEU   5   7.723  -2.558   2.713
   42   2HD1  LEU   5          HD12      LEU   5   9.154  -1.699   3.283
   43   3HD1  LEU   5          HD13      LEU   5   9.034  -3.446   3.489
   44   1HD2  LEU   5          HD21      LEU   5  10.555  -4.625   1.828
   45   2HD2  LEU   5          HD22      LEU   5  11.320  -3.173   2.476
   46   3HD2  LEU   5          HD23      LEU   5  11.348  -3.485   0.741
   47    H    TRP   6           HN       TRP   6   7.514  -0.158  -0.147
   48    HA   TRP   6           HA       TRP   6   5.468  -0.202   1.965
   49   1HB   TRP   6          HB2       TRP   6   6.564   1.429   3.079
   50   2HB   TRP   6          HB1       TRP   6   7.947   0.925   2.117
   51    HD1  TRP   6           HD1      TRP   6   8.935   2.659   0.432
   52    HE1  TRP   6           HE1      TRP   6   8.389   5.109  -0.140
   53    HE3  TRP   6           HE3      TRP   6   4.474   3.097   2.895
   54    HZ2  TRP   6           HZ2      TRP   6   6.339   6.979   0.382
   55    HZ3  TRP   6           HZ3      TRP   6   3.283   5.247   2.805
   56    HH2  TRP   6           HH2      TRP   6   4.199   7.149   1.577
   57    H    ASN   7           HN       ASN   7   6.376   1.152  -1.137
   58    HA   ASN   7           HA       ASN   7   4.488   3.188  -1.356
   59   1HB   ASN   7          HB2       ASN   7   4.603   2.340  -3.914
   60   2HB   ASN   7          HB1       ASN   7   5.856   3.319  -3.160
   61   1HD2  ASN   7          HD21      ASN   7   5.074  -0.112  -2.796
   62   2HD2  ASN   7          HD22      ASN   7   6.614  -0.697  -3.316
   63    H    TRP   8           HN       TRP   8   4.023  -0.185  -1.258
   64    HA   TRP   8           HA       TRP   8   1.263   0.115  -2.243
   65   1HB   TRP   8          HB2       TRP   8   1.381  -1.919  -3.241
   66   2HB   TRP   8          HB1       TRP   8   3.112  -1.601  -3.212
   67    HD1  TRP   8           HD1      TRP   8   4.590  -3.022  -1.504
   68    HE1  TRP   8           HE1      TRP   8   4.118  -5.201  -0.211
   69    HE3  TRP   8           HE3      TRP   8  -0.473  -3.192  -2.059
   70    HZ2  TRP   8           HZ2      TRP   8   1.873  -6.781   0.481
   71    HZ3  TRP   8           HZ3      TRP   8  -1.714  -5.054  -1.057
   72    HH2  TRP   8           HH2      TRP   8  -0.567  -6.819   0.188
   73    H    PHE   9           HN       PHE   9   3.278  -0.766   0.420
   74    HA   PHE   9           HA       PHE   9   1.402  -2.236   1.937
   75   1HB   PHE   9          HB2       PHE   9   4.058  -1.517   2.229
   76   2HB   PHE   9          HB1       PHE   9   3.260  -0.625   3.520
   77    HD1  PHE   9           HD1      PHE   9   4.338  -3.861   2.337
   78    HD2  PHE   9           HD2      PHE   9   1.965  -1.852   5.243
   79    HE1  PHE   9           HE1      PHE   9   4.299  -5.902   3.712
   80    HE2  PHE   9           HE2      PHE   9   1.922  -3.889   6.623
   81    HZ   PHE   9           HZ       PHE   9   3.091  -5.917   5.857
   82    H    ASN  10           HN       ASN  10   1.738   1.108   1.243
   83    HA   ASN  10           HA       ASN  10   0.012   1.897   3.465
   84   1HB   ASN  10          HB2       ASN  10   0.542   4.161   2.907
   85   2HB   ASN  10          HB1       ASN  10   2.047   3.251   2.820
   86   1HD2  ASN  10          HD21      ASN  10  -0.435   4.871   1.002
   87   2HD2  ASN  10          HD22      ASN  10   0.440   4.974  -0.484
   88    H    ILE  11           HN       ILE  11  -0.325   0.724   0.397
   89    HA   ILE  11           HA       ILE  11  -2.591   2.352  -0.389
   90    HB   ILE  11           HB       ILE  11  -1.556  -0.166  -1.694
   91   1HG1  ILE  11          HG12      ILE  11  -0.879   2.741  -2.184
   92   2HG1  ILE  11          HG11      ILE  11   0.223   1.467  -1.670
   93   1HG2  ILE  11          HG21      ILE  11  -3.185   0.062  -3.195
   94   2HG2  ILE  11          HG22      ILE  11  -2.852   1.782  -3.396
   95   3HG2  ILE  11          HG23      ILE  11  -3.917   1.236  -2.101
   96   1HD1  ILE  11          HD11      ILE  11   0.722   1.080  -3.785
   97   2HD1  ILE  11          HD12      ILE  11  -0.441   2.302  -4.303
   98   3HD1  ILE  11          HD13      ILE  11  -0.954   0.627  -4.095
   99    H    THR  12           HN       THR  12  -1.979  -0.759   1.085
  100    HA   THR  12           HA       THR  12  -4.532  -1.900   0.696
  101    HB   THR  12           HB       THR  12  -3.779  -3.060   3.010
  102    HG1  THR  12           HG1      THR  12  -1.791  -1.441   2.554
  103   1HG2  THR  12          HG21      THR  12  -4.008  -3.903   0.530
  104   2HG2  THR  12          HG22      THR  12  -3.114  -4.847   1.722
  105   3HG2  THR  12          HG23      THR  12  -2.246  -3.833   0.570
  106    H    ASN  13           HN       ASN  13  -3.760   0.848   2.347
  107    HA   ASN  13           HA       ASN  13  -5.613   0.480   4.552
  108   1HB   ASN  13          HB2       ASN  13  -3.981   2.881   3.701
  109   2HB   ASN  13          HB1       ASN  13  -4.977   2.806   5.151
  110   1HD2  ASN  13          HD21      ASN  13  -1.938   2.298   3.871
  111   2HD2  ASN  13          HD22      ASN  13  -1.247   1.403   5.178
  112    H    TRP  14           HN       TRP  14  -5.403   2.370   1.555
  113    HA   TRP  14           HA       TRP  14  -8.151   3.290   1.985
  114   1HB   TRP  14          HB2       TRP  14  -7.577   4.635  -0.193
  115   2HB   TRP  14          HB1       TRP  14  -6.970   5.171   1.368
  116    HD1  TRP  14           HD1      TRP  14  -4.323   4.275   1.888
  117    HE1  TRP  14           HE1      TRP  14  -2.341   4.269   0.256
  118    HE3  TRP  14           HE3      TRP  14  -6.904   4.468  -2.516
  119    HZ2  TRP  14           HZ2      TRP  14  -1.921   4.345  -2.536
  120    HZ3  TRP  14           HZ3      TRP  14  -5.638   4.503  -4.625
  121    HH2  TRP  14           HH2      TRP  14  -3.197   4.443  -4.633
  122    H    LEU  15           HN       LEU  15  -6.159   1.529  -0.351
  123    HA   LEU  15           HA       LEU  15  -8.093   1.120  -2.314
  124   1HB   LEU  15          HB2       LEU  15  -6.562  -0.212  -3.294
  125   2HB   LEU  15          HB1       LEU  15  -5.500   0.419  -2.053
  126    HG   LEU  15           HG       LEU  15  -6.380  -1.674  -0.707
  127   1HD1  LEU  15          HD11      LEU  15  -7.850  -2.135  -2.851
  128   2HD1  LEU  15          HD12      LEU  15  -7.149  -3.452  -1.907
  129   3HD1  LEU  15          HD13      LEU  15  -6.370  -2.925  -3.399
  130   1HD2  LEU  15          HD21      LEU  15  -4.405  -2.834  -1.332
  131   2HD2  LEU  15          HD22      LEU  15  -4.041  -1.111  -1.435
  132   3HD2  LEU  15          HD23      LEU  15  -4.356  -2.035  -2.903
  133    H    TRP  16           HN       TRP  16  -7.516  -0.520   0.731
  134    HA   TRP  16           HA       TRP  16  -9.259  -2.711   0.347
  135   1HB   TRP  16          HB2       TRP  16  -7.613  -1.703   2.427
  136   2HB   TRP  16          HB1       TRP  16  -9.232  -1.870   3.097
  137    HD1  TRP  16           HD1      TRP  16  -9.490  -4.113   4.268
  138    HE1  TRP  16           HE1      TRP  16  -8.647  -6.516   3.890
  139    HE3  TRP  16           HE3      TRP  16  -6.694  -3.341   0.059
  140    HZ2  TRP  16           HZ2      TRP  16  -7.011  -7.899   2.053
  141    HZ3  TRP  16           HZ3      TRP  16  -5.520  -5.256  -0.945
  142    HH2  TRP  16           HH2      TRP  16  -5.676  -7.488   0.032
  143    H    TYR  17           HN       TYR  17  -9.695   0.595   1.336
  144    HA   TYR  17           HA       TYR  17 -12.403   0.309   2.219
  145   1HB   TYR  17          HB2       TYR  17 -11.567   2.178   3.215
  146   2HB   TYR  17          HB1       TYR  17 -10.431   2.492   1.908
  147    HD1  TYR  17           HD1      TYR  17 -13.916   2.966   3.033
  148    HD2  TYR  17           HD2      TYR  17 -10.966   4.013   0.150
  149    HE1  TYR  17           HE1      TYR  17 -15.355   4.793   2.234
  150    HE2  TYR  17           HE2      TYR  17 -12.397   5.845  -0.655
  151    HH   TYR  17           HH       TYR  17 -14.296   7.286   0.368
  152    H    ILE  18           HN       ILE  18 -10.777   1.106  -0.772
  153    HA   ILE  18           HA       ILE  18 -13.010   2.121  -2.179
  154    HB   ILE  18           HB       ILE  18 -10.568   0.756  -3.325
  155   1HG1  ILE  18          HG12      ILE  18 -11.004   3.717  -2.904
  156   2HG1  ILE  18          HG11      ILE  18 -10.138   2.705  -1.753
  157   1HG2  ILE  18          HG21      ILE  18 -12.564   2.667  -4.536
  158   2HG2  ILE  18          HG22      ILE  18 -12.336   0.969  -4.954
  159   3HG2  ILE  18          HG23      ILE  18 -11.069   2.143  -5.312
  160   1HD1  ILE  18          HD11      ILE  18  -9.046   2.254  -4.333
  161   2HD1  ILE  18          HD12      ILE  18  -8.281   2.972  -2.914
  162   3HD1  ILE  18          HD13      ILE  18  -9.149   3.994  -4.061
  163    H    LYS  19           HN       LYS  19 -11.577  -1.120  -1.983
  164    HA   LYS  19           HA       LYS  19 -13.520  -2.273  -3.755
  165   1HB   LYS  19          HB2       LYS  19 -11.355  -3.412  -2.002
  166   2HB   LYS  19          HB1       LYS  19 -12.488  -4.451  -2.855
  167   1HG   LYS  19          HG2       LYS  19 -11.441  -2.548  -4.695
  168   2HG   LYS  19          HG1       LYS  19 -10.103  -3.294  -3.818
  169   1HD   LYS  19          HD2       LYS  19 -12.116  -5.230  -4.615
  170   2HD   LYS  19          HD1       LYS  19 -11.443  -4.359  -5.995
  171   1HE   LYS  19          HE2       LYS  19  -9.158  -4.881  -5.027
  172   2HE   LYS  19          HE1       LYS  19  -9.983  -5.992  -3.932
  173   1HZ   LYS  19          HZ1       LYS  19 -10.110  -6.128  -6.902
  174   2HZ   LYS  19          HZ2       LYS  19 -10.809  -7.225  -5.822
  175   3HZ   LYS  19          HZ3       LYS  19  -9.125  -7.104  -5.932
  176   1HN   NH2  20          HN1       LYS  19 -13.335  -2.015  -0.141
  177   2HN   NH2  20          HN2       LYS  19 -14.211  -3.488   0.079
  Start of MODEL   13
    1   1H    LYS   1          HT1       LYS   1 -18.672  -2.207   2.996
    2   2H    LYS   1          HT2       LYS   1 -17.244  -2.066   3.892
    3   3H    LYS   1          HT3       LYS   1 -17.485  -3.409   2.892
    4    HA   LYS   1           HA       LYS   1 -17.626  -1.782   0.980
    5   1HB   LYS   1          HB2       LYS   1 -17.128  -0.060   3.274
    6   2HB   LYS   1          HB1       LYS   1 -15.939   0.186   2.002
    7   1HG   LYS   1          HG2       LYS   1 -18.811   0.106   1.246
    8   2HG   LYS   1          HG1       LYS   1 -18.192   1.541   2.066
    9   1HD   LYS   1          HD2       LYS   1 -16.613   1.954   0.353
   10   2HD   LYS   1          HD1       LYS   1 -16.863   0.360  -0.361
   11   1HE   LYS   1          HE2       LYS   1 -18.901   2.580  -0.251
   12   2HE   LYS   1          HE1       LYS   1 -17.950   2.130  -1.665
   13   1HZ   LYS   1          HZ1       LYS   1 -20.113   0.617  -0.343
   14   2HZ   LYS   1          HZ2       LYS   1 -18.985  -0.166  -1.331
   15   3HZ   LYS   1          HZ3       LYS   1 -19.967   1.053  -1.972
   16    H    TRP   2           HN       TRP   2 -15.296  -0.762   0.222
   17    HA   TRP   2           HA       TRP   2 -13.213  -2.662   1.046
   18   1HB   TRP   2          HB2       TRP   2 -12.553  -2.953  -1.320
   19   2HB   TRP   2          HB1       TRP   2 -14.176  -3.553  -1.002
   20    HD1  TRP   2           HD1      TRP   2 -16.227  -2.176  -2.070
   21    HE1  TRP   2           HE1      TRP   2 -16.330  -0.541  -4.055
   22    HE3  TRP   2           HE3      TRP   2 -11.239  -1.149  -2.540
   23    HZ2  TRP   2           HZ2      TRP   2 -14.535   0.982  -5.614
   24    HZ3  TRP   2           HZ3      TRP   2 -10.516   0.406  -4.303
   25    HH2  TRP   2           HH2      TRP   2 -12.131   1.449  -5.808
   26    H    ALA   3           HN       ALA   3 -13.961   0.376   1.176
   27    HA   ALA   3           HA       ALA   3 -11.768   1.675  -0.135
   28   1HB   ALA   3          HB1       ALA   3 -12.620   3.672   0.699
   29   2HB   ALA   3          HB2       ALA   3 -13.348   2.889   2.101
   30   3HB   ALA   3          HB3       ALA   3 -14.055   2.667   0.501
   31    H    SER   4           HN       SER   4 -11.353  -0.491   2.016
   32    HA   SER   4           HA       SER   4  -9.398   1.050   3.587
   33   1HB   SER   4          HB2       SER   4 -10.836  -1.405   4.602
   34   2HB   SER   4          HB1       SER   4  -9.829  -0.287   5.521
   35    HG   SER   4           HG       SER   4 -11.701   0.590   5.954
   36    H    LEU   5           HN       LEU   5  -8.736  -0.081   1.148
   37    HA   LEU   5           HA       LEU   5  -6.875  -2.170   2.026
   38   1HB   LEU   5          HB2       LEU   5  -7.247  -3.524   0.112
   39   2HB   LEU   5          HB1       LEU   5  -8.812  -3.199   0.830
   40    HG   LEU   5           HG       LEU   5  -8.789  -1.225  -0.977
   41   1HD1  LEU   5          HD11      LEU   5  -7.863  -2.217  -3.101
   42   2HD1  LEU   5          HD12      LEU   5  -6.982  -3.359  -2.087
   43   3HD1  LEU   5          HD13      LEU   5  -6.666  -1.630  -1.947
   44   1HD2  LEU   5          HD21      LEU   5  -9.490  -4.107  -1.521
   45   2HD2  LEU   5          HD22      LEU   5 -10.072  -2.722  -2.445
   46   3HD2  LEU   5          HD23      LEU   5 -10.524  -2.904  -0.750
   47    H    TRP   6           HN       TRP   6  -7.606   0.545  -0.003
   48    HA   TRP   6           HA       TRP   6  -5.211   0.418  -1.558
   49   1HB   TRP   6          HB2       TRP   6  -5.984   2.286  -2.650
   50   2HB   TRP   6          HB1       TRP   6  -7.498   1.677  -1.996
   51    HD1  TRP   6           HD1      TRP   6  -8.746   3.164  -0.214
   52    HE1  TRP   6           HE1      TRP   6  -8.385   5.564   0.643
   53    HE3  TRP   6           HE3      TRP   6  -4.070   4.009  -2.103
   54    HZ2  TRP   6           HZ2      TRP   6  -6.383   7.552   0.533
   55    HZ3  TRP   6           HZ3      TRP   6  -3.001   6.183  -1.680
   56    HH2  TRP   6           HH2      TRP   6  -4.136   7.919  -0.391
   57    H    ASN   7           HN       ASN   7  -6.088   1.793   1.516
   58    HA   ASN   7           HA       ASN   7  -4.053   3.686   1.804
   59   1HB   ASN   7          HB2       ASN   7  -4.427   2.621   4.355
   60   2HB   ASN   7          HB1       ASN   7  -5.260   4.006   3.659
   61   1HD2  ASN   7          HD21      ASN   7  -5.403   0.461   3.599
   62   2HD2  ASN   7          HD22      ASN   7  -7.125   0.361   3.694
   63    H    TRP   8           HN       TRP   8  -3.916   0.258   1.829
   64    HA   TRP   8           HA       TRP   8  -1.144   0.369   2.818
   65   1HB   TRP   8          HB2       TRP   8  -1.472  -1.498   4.042
   66   2HB   TRP   8          HB1       TRP   8  -3.183  -1.131   3.863
   67    HD1  TRP   8           HD1      TRP   8  -4.604  -2.677   2.232
   68    HE1  TRP   8           HE1      TRP   8  -4.143  -4.990   1.193
   69    HE3  TRP   8           HE3      TRP   8   0.414  -2.953   3.096
   70    HZ2  TRP   8           HZ2      TRP   8  -1.928  -6.704   0.794
   71    HZ3  TRP   8           HZ3      TRP   8   1.637  -4.954   2.359
   72    HH2  TRP   8           HH2      TRP   8   0.489  -6.793   1.232
   73    H    PHE   9           HN       PHE   9  -3.279  -0.692   0.283
   74    HA   PHE   9           HA       PHE   9  -1.491  -2.370  -1.108
   75   1HB   PHE   9          HB2       PHE   9  -4.076  -1.904  -1.412
   76   2HB   PHE   9          HB1       PHE   9  -3.503  -0.727  -2.588
   77    HD1  PHE   9           HD1      PHE   9  -2.923  -4.292  -1.647
   78    HD2  PHE   9           HD2      PHE   9  -3.303  -1.419  -4.763
   79    HE1  PHE   9           HE1      PHE   9  -2.704  -6.082  -3.319
   80    HE2  PHE   9           HE2      PHE   9  -3.085  -3.204  -6.441
   81    HZ   PHE   9           HZ       PHE   9  -2.784  -5.540  -5.721
   82    H    ASN  10           HN       ASN  10  -1.680   1.034  -0.757
   83    HA   ASN  10           HA       ASN  10  -0.023   1.542  -3.097
   84   1HB   ASN  10          HB2       ASN  10  -0.882   3.618  -3.052
   85   2HB   ASN  10          HB1       ASN  10  -1.981   3.031  -1.810
   86   1HD2  ASN  10          HD21      ASN  10  -1.000   3.059   0.448
   87   2HD2  ASN  10          HD22      ASN  10  -0.123   4.484   0.876
   88    H    ILE  11           HN       ILE  11   0.305   0.830   0.169
   89    HA   ILE  11           HA       ILE  11   2.715   2.276   0.705
   90    HB   ILE  11           HB       ILE  11   1.620  -0.150   2.136
   91   1HG1  ILE  11          HG12      ILE  11   1.188   2.807   2.610
   92   2HG1  ILE  11          HG11      ILE  11  -0.033   1.620   2.156
   93   1HG2  ILE  11          HG21      ILE  11   3.076   1.626   3.816
   94   2HG2  ILE  11          HG22      ILE  11   4.066   1.248   2.406
   95   3HG2  ILE  11          HG23      ILE  11   3.432  -0.054   3.412
   96   1HD1  ILE  11          HD11      ILE  11   0.730   0.483   4.405
   97   2HD1  ILE  11          HD12      ILE  11  -0.446   1.797   4.386
   98   3HD1  ILE  11          HD13      ILE  11   1.240   2.127   4.789
   99    H    THR  12           HN       THR  12   1.907  -0.854  -0.612
  100    HA   THR  12           HA       THR  12   4.476  -2.038  -0.366
  101    HB   THR  12           HB       THR  12   3.447  -3.332  -2.507
  102    HG1  THR  12           HG1      THR  12   1.075  -2.885  -1.133
  103   1HG2  THR  12          HG21      THR  12   2.978  -3.633   0.433
  104   2HG2  THR  12          HG22      THR  12   3.960  -4.619  -0.650
  105   3HG2  THR  12          HG23      THR  12   2.201  -4.739  -0.700
  106    H    ASN  13           HN       ASN  13   3.639   0.637  -2.025
  107    HA   ASN  13           HA       ASN  13   5.188   0.105  -4.430
  108   1HB   ASN  13          HB2       ASN  13   3.489   2.399  -3.490
  109   2HB   ASN  13          HB1       ASN  13   4.591   2.596  -4.849
  110   1HD2  ASN  13          HD21      ASN  13   1.507   1.862  -4.011
  111   2HD2  ASN  13          HD22      ASN  13   1.018   1.000  -5.426
  112    H    TRP  14           HN       TRP  14   5.329   2.203  -1.565
  113    HA   TRP  14           HA       TRP  14   8.032   3.023  -2.324
  114   1HB   TRP  14          HB2       TRP  14   7.714   4.465  -0.151
  115   2HB   TRP  14          HB1       TRP  14   6.960   4.950  -1.664
  116    HD1  TRP  14           HD1      TRP  14   4.259   4.178  -1.880
  117    HE1  TRP  14           HE1      TRP  14   2.456   4.238  -0.055
  118    HE3  TRP  14           HE3      TRP  14   7.281   4.284   2.237
  119    HZ2  TRP  14           HZ2      TRP  14   2.326   4.324   2.767
  120    HZ3  TRP  14           HZ3      TRP  14   6.240   4.358   4.464
  121    HH2  TRP  14           HH2      TRP  14   3.812   4.378   4.722
  122    H    LEU  15           HN       LEU  15   6.287   1.344   0.246
  123    HA   LEU  15           HA       LEU  15   8.438   1.005   2.007
  124   1HB   LEU  15          HB2       LEU  15   7.012  -0.239   3.231
  125   2HB   LEU  15          HB1       LEU  15   5.820   0.367   2.103
  126    HG   LEU  15           HG       LEU  15   6.443  -1.803   0.757
  127   1HD1  LEU  15          HD11      LEU  15   7.660  -2.218   3.405
  128   2HD1  LEU  15          HD12      LEU  15   8.039  -2.959   1.849
  129   3HD1  LEU  15          HD13      LEU  15   6.674  -3.549   2.797
  130   1HD2  LEU  15          HD21      LEU  15   4.231  -1.317   1.588
  131   2HD2  LEU  15          HD22      LEU  15   4.714  -1.762   3.225
  132   3HD2  LEU  15          HD23      LEU  15   4.643  -2.991   1.962
  133    H    TRP  16           HN       TRP  16   7.461  -0.754  -0.866
  134    HA   TRP  16           HA       TRP  16   9.212  -2.958  -0.578
  135   1HB   TRP  16          HB2       TRP  16   7.322  -2.047  -2.488
  136   2HB   TRP  16          HB1       TRP  16   8.839  -2.282  -3.347
  137    HD1  TRP  16           HD1      TRP  16   8.923  -4.597  -4.398
  138    HE1  TRP  16           HE1      TRP  16   8.119  -6.957  -3.760
  139    HE3  TRP  16           HE3      TRP  16   6.703  -3.518   0.080
  140    HZ2  TRP  16           HZ2      TRP  16   6.728  -8.197  -1.641
  141    HZ3  TRP  16           HZ3      TRP  16   5.658  -5.349   1.349
  142    HH2  TRP  16           HH2      TRP  16   5.671  -7.639   0.505
  143    H    TYR  17           HN       TYR  17   9.574   0.301  -1.683
  144    HA   TYR  17           HA       TYR  17  12.139  -0.070  -2.920
  145   1HB   TYR  17          HB2       TYR  17  11.326   1.818  -3.865
  146   2HB   TYR  17          HB1       TYR  17  10.215   2.110  -2.533
  147    HD1  TYR  17           HD1      TYR  17  10.768   3.643  -0.779
  148    HD2  TYR  17           HD2      TYR  17  13.639   2.696  -3.773
  149    HE1  TYR  17           HE1      TYR  17  12.164   5.522  -0.027
  150    HE2  TYR  17           HE2      TYR  17  15.044   4.572  -3.028
  151    HH   TYR  17           HH       TYR  17  15.279   6.237  -1.583
  152    H    ILE  18           HN       ILE  18  10.913   0.559   0.239
  153    HA   ILE  18           HA       ILE  18  13.334   1.612   1.354
  154    HB   ILE  18           HB       ILE  18  10.882   0.460   2.697
  155   1HG1  ILE  18          HG12      ILE  18  11.674   3.358   2.614
  156   2HG1  ILE  18          HG11      ILE  18  10.796   2.639   1.268
  157   1HG2  ILE  18          HG21      ILE  18  11.692   1.407   4.754
  158   2HG2  ILE  18          HG22      ILE  18  13.101   2.084   3.936
  159   3HG2  ILE  18          HG23      ILE  18  12.929   0.336   4.096
  160   1HD1  ILE  18          HD11      ILE  18   9.589   3.833   3.309
  161   2HD1  ILE  18          HD12      ILE  18   9.691   2.203   3.974
  162   3HD1  ILE  18          HD13      ILE  18   8.869   2.479   2.438
  163    H    LYS  19           HN       LYS  19  11.586  -1.376   2.207
  164    HA   LYS  19           HA       LYS  19  13.888  -2.602   3.321
  165   1HB   LYS  19          HB2       LYS  19  11.278  -3.854   2.443
  166   2HB   LYS  19          HB1       LYS  19  12.487  -4.622   3.462
  167   1HG   LYS  19          HG2       LYS  19  12.106  -3.035   5.218
  168   2HG   LYS  19          HG1       LYS  19  11.030  -2.090   4.186
  169   1HD   LYS  19          HD2       LYS  19   9.574  -4.146   4.028
  170   2HD   LYS  19          HD1       LYS  19  10.573  -4.851   5.300
  171   1HE   LYS  19          HE2       LYS  19   8.425  -3.716   6.035
  172   2HE   LYS  19          HE1       LYS  19   9.903  -3.235   6.870
  173   1HZ   LYS  19          HZ1       LYS  19  10.019  -1.264   5.482
  174   2HZ   LYS  19          HZ2       LYS  19   8.527  -1.319   6.277
  175   3HZ   LYS  19          HZ3       LYS  19   8.628  -1.732   4.639
  176   1HN   NH2  20          HN1       LYS  19  13.837  -2.351  -0.263
  177   2HN   NH2  20          HN2       LYS  19  12.682  -3.635  -0.286
  Start of MODEL   14
    1   1H    LYS   1          HT1       LYS   1 -17.632  -1.036  -4.296
    2   2H    LYS   1          HT2       LYS   1 -16.253  -0.104  -4.599
    3   3H    LYS   1          HT3       LYS   1 -17.717   0.652  -4.215
    4    HA   LYS   1           HA       LYS   1 -17.645   0.023  -2.004
    5   1HB   LYS   1          HB2       LYS   1 -16.187  -2.204  -3.152
    6   2HB   LYS   1          HB1       LYS   1 -15.389  -1.608  -1.703
    7   1HG   LYS   1          HG2       LYS   1 -18.318  -2.007  -1.565
    8   2HG   LYS   1          HG1       LYS   1 -17.301  -3.448  -1.634
    9   1HD   LYS   1          HD2       LYS   1 -15.945  -2.290   0.241
   10   2HD   LYS   1          HD1       LYS   1 -17.384  -1.289   0.442
   11   1HE   LYS   1          HE2       LYS   1 -18.561  -2.957   1.385
   12   2HE   LYS   1          HE1       LYS   1 -17.914  -4.169   0.278
   13   1HZ   LYS   1          HZ1       LYS   1 -17.304  -4.276   2.767
   14   2HZ   LYS   1          HZ2       LYS   1 -16.202  -3.048   2.394
   15   3HZ   LYS   1          HZ3       LYS   1 -16.093  -4.544   1.615
   16    H    TRP   2           HN       TRP   2 -15.784   0.301  -0.302
   17    HA   TRP   2           HA       TRP   2 -14.121   2.511  -1.275
   18   1HB   TRP   2          HB2       TRP   2 -13.950   3.203   1.055
   19   2HB   TRP   2          HB1       TRP   2 -15.641   2.973   0.621
   20    HD1  TRP   2           HD1      TRP   2 -16.940   0.938   1.773
   21    HE1  TRP   2           HE1      TRP   2 -16.430  -0.462   3.872
   22    HE3  TRP   2           HE3      TRP   2 -12.027   2.193   2.413
   23    HZ2  TRP   2           HZ2      TRP   2 -14.234  -0.969   5.572
   24    HZ3  TRP   2           HZ3      TRP   2 -10.792   1.207   4.299
   25    HH2  TRP   2           HH2      TRP   2 -11.874  -0.341   5.845
   26    H    ALA   3           HN       ALA   3 -13.809  -0.693  -0.861
   27    HA   ALA   3           HA       ALA   3 -11.327  -0.837   0.565
   28   1HB   ALA   3          HB1       ALA   3 -11.771  -3.128  -1.097
   29   2HB   ALA   3          HB2       ALA   3 -13.275  -2.660  -0.305
   30   3HB   ALA   3          HB3       ALA   3 -11.837  -2.993   0.659
   31    H    SER   4           HN       SER   4 -11.582   0.862  -1.956
   32    HA   SER   4           HA       SER   4  -9.537  -0.417  -3.620
   33   1HB   SER   4          HB2       SER   4 -10.992   2.154  -4.236
   34   2HB   SER   4          HB1       SER   4 -10.137   1.092  -5.355
   35    HG   SER   4           HG       SER   4 -12.704   0.972  -4.475
   36    H    LEU   5           HN       LEU   5  -8.902   0.689  -1.009
   37    HA   LEU   5           HA       LEU   5  -7.003   2.765  -1.872
   38   1HB   LEU   5          HB2       LEU   5  -7.218   3.857   0.282
   39   2HB   LEU   5          HB1       LEU   5  -8.775   3.768  -0.518
   40    HG   LEU   5           HG       LEU   5  -8.942   1.546   0.984
   41   1HD1  LEU   5          HD11      LEU   5  -7.134   3.425   2.492
   42   2HD1  LEU   5          HD12      LEU   5  -6.811   1.750   2.048
   43   3HD1  LEU   5          HD13      LEU   5  -8.054   2.122   3.242
   44   1HD2  LEU   5          HD21      LEU   5  -9.571   4.392   1.737
   45   2HD2  LEU   5          HD22      LEU   5 -10.127   3.000   2.667
   46   3HD2  LEU   5          HD23      LEU   5 -10.639   3.203   0.991
   47    H    TRP   6           HN       TRP   6  -7.643  -0.035   0.121
   48    HA   TRP   6           HA       TRP   6  -5.132  -0.056   1.456
   49   1HB   TRP   6          HB2       TRP   6  -5.906  -1.903   2.540
   50   2HB   TRP   6          HB1       TRP   6  -7.446  -1.330   1.913
   51    HD1  TRP   6           HD1      TRP   6  -8.582  -2.754  -0.045
   52    HE1  TRP   6           HE1      TRP   6  -8.187  -5.158  -0.879
   53    HE3  TRP   6           HE3      TRP   6  -4.066  -3.653   2.177
   54    HZ2  TRP   6           HZ2      TRP   6  -6.220  -7.168  -0.627
   55    HZ3  TRP   6           HZ3      TRP   6  -2.993  -5.839   1.828
   56    HH2  TRP   6           HH2      TRP   6  -4.050  -7.561   0.456
   57    H    ASN   7           HN       ASN   7  -6.204  -1.146  -1.651
   58    HA   ASN   7           HA       ASN   7  -4.353  -3.137  -2.217
   59   1HB   ASN   7          HB2       ASN   7  -4.716  -1.512  -4.553
   60   2HB   ASN   7          HB1       ASN   7  -5.383  -3.102  -4.200
   61   1HD2  ASN   7          HD21      ASN   7  -6.042   0.159  -4.651
   62   2HD2  ASN   7          HD22      ASN   7  -7.700   0.153  -4.169
   63    H    TRP   8           HN       TRP   8  -3.938   0.283  -1.988
   64    HA   TRP   8           HA       TRP   8  -1.137  -0.010  -2.842
   65   1HB   TRP   8          HB2       TRP   8  -1.242   1.928  -4.006
   66   2HB   TRP   8          HB1       TRP   8  -2.977   1.637  -3.986
   67    HD1  TRP   8           HD1      TRP   8  -4.469   3.220  -2.473
   68    HE1  TRP   8           HE1      TRP   8  -3.994   5.465  -1.299
   69    HE3  TRP   8           HE3      TRP   8   0.627   3.233  -2.795
   70    HZ2  TRP   8           HZ2      TRP   8  -1.745   7.031  -0.603
   71    HZ3  TRP   8           HZ3      TRP   8   1.867   5.132  -1.852
   72    HH2  TRP   8           HH2      TRP   8   0.706   6.995  -0.779
   73    H    PHE   9           HN       PHE   9  -3.311   0.982  -0.359
   74    HA   PHE   9           HA       PHE   9  -1.557   2.575   1.179
   75   1HB   PHE   9          HB2       PHE   9  -4.158   2.149   1.358
   76   2HB   PHE   9          HB1       PHE   9  -3.661   0.884   2.474
   77    HD1  PHE   9           HD1      PHE   9  -1.935   4.130   2.085
   78    HD2  PHE   9           HD2      PHE   9  -4.604   1.790   4.435
   79    HE1  PHE   9           HE1      PHE   9  -1.791   5.790   3.896
   80    HE2  PHE   9           HE2      PHE   9  -4.464   3.445   6.248
   81    HZ   PHE   9           HZ       PHE   9  -3.057   5.448   5.981
   82    H    ASN  10           HN       ASN  10  -1.796  -0.806   0.658
   83    HA   ASN  10           HA       ASN  10  -0.222  -1.446   3.027
   84   1HB   ASN  10          HB2       ASN  10  -0.938  -3.599   2.801
   85   2HB   ASN  10          HB1       ASN  10  -2.222  -2.825   1.877
   86   1HD2  ASN  10          HD21      ASN  10  -1.348  -2.363  -0.505
   87   2HD2  ASN  10          HD22      ASN  10  -0.730  -3.773  -1.287
   88    H    ILE  11           HN       ILE  11   0.257  -0.579  -0.175
   89    HA   ILE  11           HA       ILE  11   2.633  -2.123  -0.660
   90    HB   ILE  11           HB       ILE  11   1.716   0.347  -2.135
   91   1HG1  ILE  11          HG12      ILE  11   1.037  -2.568  -2.584
   92   2HG1  ILE  11          HG11      ILE  11  -0.083  -1.278  -2.159
   93   1HG2  ILE  11          HG21      ILE  11   3.000  -1.397  -3.873
   94   2HG2  ILE  11          HG22      ILE  11   3.965  -1.456  -2.398
   95   3HG2  ILE  11          HG23      ILE  11   3.660   0.089  -3.191
   96   1HD1  ILE  11          HD11      ILE  11   0.149  -2.151  -4.626
   97   2HD1  ILE  11          HD12      ILE  11   1.487  -1.003  -4.664
   98   3HD1  ILE  11          HD13      ILE  11  -0.140  -0.446  -4.278
   99    H    THR  12           HN       THR  12   1.867   1.012   0.670
  100    HA   THR  12           HA       THR  12   4.442   2.172   0.480
  101    HB   THR  12           HB       THR  12   3.391   3.333   2.722
  102    HG1  THR  12           HG1      THR  12   1.473   2.231   2.745
  103   1HG2  THR  12          HG21      THR  12   3.981   4.108   0.197
  104   2HG2  THR  12          HG22      THR  12   3.207   5.150   1.391
  105   3HG2  THR  12          HG23      THR  12   2.227   4.304   0.193
  106    H    ASN  13           HN       ASN  13   3.535  -0.533   2.108
  107    HA   ASN  13           HA       ASN  13   5.172  -0.091   4.473
  108   1HB   ASN  13          HB2       ASN  13   3.363  -2.316   3.562
  109   2HB   ASN  13          HB1       ASN  13   4.475  -2.547   4.908
  110   1HD2  ASN  13          HD21      ASN  13   1.689  -0.794   3.758
  111   2HD2  ASN  13          HD22      ASN  13   1.139  -0.262   5.307
  112    H    TRP  14           HN       TRP  14   5.129  -2.284   1.654
  113    HA   TRP  14           HA       TRP  14   7.819  -3.180   2.342
  114   1HB   TRP  14          HB2       TRP  14   7.419  -4.636   0.209
  115   2HB   TRP  14          HB1       TRP  14   6.626  -5.053   1.721
  116    HD1  TRP  14           HD1      TRP  14   3.968  -4.161   1.895
  117    HE1  TRP  14           HE1      TRP  14   2.181  -4.141   0.052
  118    HE3  TRP  14           HE3      TRP  14   7.022  -4.437  -2.190
  119    HZ2  TRP  14           HZ2      TRP  14   2.077  -4.240  -2.769
  120    HZ3  TRP  14           HZ3      TRP  14   6.001  -4.474  -4.426
  121    HH2  TRP  14           HH2      TRP  14   3.577  -4.377  -4.709
  122    H    LEU  15           HN       LEU  15   6.131  -1.380  -0.171
  123    HA   LEU  15           HA       LEU  15   8.259  -1.184  -1.988
  124   1HB   LEU  15          HB2       LEU  15   6.895   0.164  -3.174
  125   2HB   LEU  15          HB1       LEU  15   5.688  -0.378  -2.027
  126    HG   LEU  15           HG       LEU  15   6.492   1.731  -0.673
  127   1HD1  LEU  15          HD11      LEU  15   7.289   3.525  -1.952
  128   2HD1  LEU  15          HD12      LEU  15   6.955   2.700  -3.475
  129   3HD1  LEU  15          HD13      LEU  15   8.279   2.149  -2.445
  130   1HD2  LEU  15          HD21      LEU  15   4.235   1.205  -1.707
  131   2HD2  LEU  15          HD22      LEU  15   4.769   2.149  -3.098
  132   3HD2  LEU  15          HD23      LEU  15   4.636   2.912  -1.514
  133    H    TRP  16           HN       TRP  16   7.463   0.597   0.915
  134    HA   TRP  16           HA       TRP  16   9.345   2.694   0.604
  135   1HB   TRP  16          HB2       TRP  16   7.398   1.927   2.506
  136   2HB   TRP  16          HB1       TRP  16   8.926   2.022   3.374
  137    HD1  TRP  16           HD1      TRP  16   9.283   4.317   4.406
  138    HE1  TRP  16           HE1      TRP  16   8.661   6.743   3.806
  139    HE3  TRP  16           HE3      TRP  16   6.808   3.457   0.020
  140    HZ2  TRP  16           HZ2      TRP  16   7.299   8.109   1.743
  141    HZ3  TRP  16           HZ3      TRP  16   5.873   5.374  -1.204
  142    HH2  TRP  16           HH2      TRP  16   6.113   7.651  -0.359
  143    H    TYR  17           HN       TYR  17   9.543  -0.600   1.534
  144    HA   TYR  17           HA       TYR  17  12.095  -0.412   2.856
  145   1HB   TYR  17          HB2       TYR  17  11.030  -2.239   3.713
  146   2HB   TYR  17          HB1       TYR  17  10.114  -2.528   2.238
  147    HD1  TYR  17           HD1      TYR  17  13.363  -3.080   3.905
  148    HD2  TYR  17           HD2      TYR  17  10.869  -4.093   0.610
  149    HE1  TYR  17           HE1      TYR  17  14.856  -4.956   3.362
  150    HE2  TYR  17           HE2      TYR  17  12.356  -5.973   0.056
  151    HH   TYR  17           HH       TYR  17  15.017  -6.892   2.153
  152    H    ILE  18           HN       ILE  18  10.876  -1.039  -0.346
  153    HA   ILE  18           HA       ILE  18  13.274  -2.130  -1.435
  154    HB   ILE  18           HB       ILE  18  10.950  -0.803  -2.845
  155   1HG1  ILE  18          HG12      ILE  18  11.429  -3.756  -2.779
  156   2HG1  ILE  18          HG11      ILE  18  10.695  -2.987  -1.376
  157   1HG2  ILE  18          HG21      ILE  18  12.793  -0.794  -4.333
  158   2HG2  ILE  18          HG22      ILE  18  11.788  -2.166  -4.798
  159   3HG2  ILE  18          HG23      ILE  18  13.266  -2.429  -3.872
  160   1HD1  ILE  18          HD11      ILE  18   9.271  -1.984  -3.529
  161   2HD1  ILE  18          HD12      ILE  18   8.750  -3.238  -2.403
  162   3HD1  ILE  18          HD13      ILE  18   9.532  -3.683  -3.920
  163    H    LYS  19           HN       LYS  19  11.715   1.050  -1.896
  164    HA   LYS  19           HA       LYS  19  14.115   2.157  -3.044
  165   1HB   LYS  19          HB2       LYS  19  11.623   3.634  -2.195
  166   2HB   LYS  19          HB1       LYS  19  12.841   4.171  -3.344
  167   1HG   LYS  19          HG2       LYS  19  12.150   2.021  -4.648
  168   2HG   LYS  19          HG1       LYS  19  10.682   2.143  -3.677
  169   1HD   LYS  19          HD2       LYS  19  10.243   4.351  -4.520
  170   2HD   LYS  19          HD1       LYS  19  11.794   4.383  -5.362
  171   1HE   LYS  19          HE2       LYS  19   9.730   2.284  -5.944
  172   2HE   LYS  19          HE1       LYS  19   9.679   3.864  -6.726
  173   1HZ   LYS  19          HZ1       LYS  19  12.013   2.022  -6.808
  174   2HZ   LYS  19          HZ2       LYS  19  11.855   3.483  -7.646
  175   3HZ   LYS  19          HZ3       LYS  19  10.866   2.168  -8.044
  176   1HN   NH2  20          HN1       LYS  19  13.094   1.882   0.351
  177   2HN   NH2  20          HN2       LYS  19  14.779   2.208   0.548
  Start of MODEL   15
    1   1H    LYS   1          HT1       LYS   1 -17.426  -0.236   5.120
    2   2H    LYS   1          HT2       LYS   1 -16.484   1.141   4.841
    3   3H    LYS   1          HT3       LYS   1 -15.739  -0.333   5.207
    4    HA   LYS   1           HA       LYS   1 -17.352  -0.805   3.007
    5   1HB   LYS   1          HB2       LYS   1 -16.818   1.886   3.109
    6   2HB   LYS   1          HB1       LYS   1 -15.496   1.291   2.113
    7   1HG   LYS   1          HG2       LYS   1 -17.372   0.065   0.806
    8   2HG   LYS   1          HG1       LYS   1 -18.432   1.243   1.582
    9   1HD   LYS   1          HD2       LYS   1 -16.475   2.873   0.704
   10   2HD   LYS   1          HD1       LYS   1 -16.402   1.611  -0.528
   11   1HE   LYS   1          HE2       LYS   1 -18.059   2.731  -1.527
   12   2HE   LYS   1          HE1       LYS   1 -19.095   2.038  -0.280
   13   1HZ   LYS   1          HZ1       LYS   1 -18.301   4.122   1.045
   14   2HZ   LYS   1          HZ2       LYS   1 -19.566   4.249  -0.070
   15   3HZ   LYS   1          HZ3       LYS   1 -18.010   4.754  -0.498
   16    H    TRP   2           HN       TRP   2 -15.921  -1.392   1.088
   17    HA   TRP   2           HA       TRP   2 -13.671  -2.901   2.098
   18   1HB   TRP   2          HB2       TRP   2 -13.649  -3.989  -0.044
   19   2HB   TRP   2          HB1       TRP   2 -15.330  -3.836   0.458
   20    HD1  TRP   2           HD1      TRP   2 -16.878  -2.138  -0.931
   21    HE1  TRP   2           HE1      TRP   2 -16.617  -1.108  -3.276
   22    HE3  TRP   2           HE3      TRP   2 -11.920  -3.117  -1.703
   23    HZ2  TRP   2           HZ2      TRP   2 -14.577  -0.757  -5.197
   24    HZ3  TRP   2           HZ3      TRP   2 -10.890  -2.403  -3.818
   25    HH2  TRP   2           HH2      TRP   2 -12.192  -1.247  -5.530
   26    H    ALA   3           HN       ALA   3 -14.019   0.200   1.132
   27    HA   ALA   3           HA       ALA   3 -11.736   0.502  -0.568
   28   1HB   ALA   3          HB1       ALA   3 -12.389   2.959   0.706
   29   2HB   ALA   3          HB2       ALA   3 -13.888   2.123   0.299
   30   3HB   ALA   3          HB3       ALA   3 -12.698   2.461  -0.958
   31    H    SER   4           HN       SER   4 -11.313  -0.842   2.043
   32    HA   SER   4           HA       SER   4  -9.368   1.025   3.226
   33   1HB   SER   4          HB2       SER   4 -10.616  -1.414   4.513
   34   2HB   SER   4          HB1       SER   4  -9.555  -0.242   5.293
   35    HG   SER   4           HG       SER   4 -11.161   1.140   5.437
   36    H    LEU   5           HN       LEU   5  -8.930  -0.619   0.852
   37    HA   LEU   5           HA       LEU   5  -6.693  -2.234   1.876
   38   1HB   LEU   5          HB2       LEU   5  -7.079  -3.720  -0.151
   39   2HB   LEU   5          HB1       LEU   5  -8.213  -3.870   1.178
   40    HG   LEU   5           HG       LEU   5  -9.590  -2.118  -0.266
   41   1HD1  LEU   5          HD11      LEU   5  -8.725  -3.604  -2.605
   42   2HD1  LEU   5          HD12      LEU   5  -7.458  -2.562  -1.957
   43   3HD1  LEU   5          HD13      LEU   5  -9.020  -1.877  -2.405
   44   1HD2  LEU   5          HD21      LEU   5  -9.514  -5.007  -0.043
   45   2HD2  LEU   5          HD22      LEU   5 -10.210  -4.477  -1.574
   46   3HD2  LEU   5          HD23      LEU   5 -10.895  -3.909  -0.052
   47    H    TRP   6           HN       TRP   6  -7.512   0.436   0.180
   48    HA   TRP   6           HA       TRP   6  -5.422   0.142  -1.842
   49   1HB   TRP   6          HB2       TRP   6  -6.417   1.842  -3.034
   50   2HB   TRP   6          HB1       TRP   6  -7.819   1.188  -2.200
   51    HD1  TRP   6           HD1      TRP   6  -9.137   2.802  -0.636
   52    HE1  TRP   6           HE1      TRP   6  -8.883   5.280   0.014
   53    HE3  TRP   6           HE3      TRP   6  -4.498   3.687  -2.596
   54    HZ2  TRP   6           HZ2      TRP   6  -6.968   7.337  -0.266
   55    HZ3  TRP   6           HZ3      TRP   6  -3.525   5.933  -2.360
   56    HH2  TRP   6           HH2      TRP   6  -4.737   7.722  -1.221
   57    H    ASN   7           HN       ASN   7  -6.206   1.983   1.043
   58    HA   ASN   7           HA       ASN   7  -4.213   3.919   0.940
   59   1HB   ASN   7          HB2       ASN   7  -4.406   3.299   3.637
   60   2HB   ASN   7          HB1       ASN   7  -5.391   4.471   2.767
   61   1HD2  ASN   7          HD21      ASN   7  -5.258   0.940   3.139
   62   2HD2  ASN   7          HD22      ASN   7  -6.949   0.740   3.435
   63    H    TRP   8           HN       TRP   8  -3.954   0.546   1.446
   64    HA   TRP   8           HA       TRP   8  -1.175   0.838   2.368
   65   1HB   TRP   8          HB2       TRP   8  -1.401  -1.040   3.620
   66   2HB   TRP   8          HB1       TRP   8  -3.113  -0.644   3.529
   67    HD1  TRP   8           HD1      TRP   8  -4.653  -2.207   2.026
   68    HE1  TRP   8           HE1      TRP   8  -4.290  -4.557   1.033
   69    HE3  TRP   8           HE3      TRP   8   0.398  -2.548   2.623
   70    HZ2  TRP   8           HZ2      TRP   8  -2.129  -6.319   0.562
   71    HZ3  TRP   8           HZ3      TRP   8   1.543  -4.584   1.880
   72    HH2  TRP   8           HH2      TRP   8   0.308  -6.439   0.872
   73    H    PHE   9           HN       PHE   9  -3.197  -0.227  -0.210
   74    HA   PHE   9           HA       PHE   9  -1.417  -1.998  -1.499
   75   1HB   PHE   9          HB2       PHE   9  -3.971  -1.373  -1.943
   76   2HB   PHE   9          HB1       PHE   9  -3.242  -0.296  -3.130
   77    HD1  PHE   9           HD1      PHE   9  -1.834  -1.240  -4.943
   78    HD2  PHE   9           HD2      PHE   9  -4.094  -3.705  -2.310
   79    HE1  PHE   9           HE1      PHE   9  -1.629  -3.111  -6.526
   80    HE2  PHE   9           HE2      PHE   9  -3.894  -5.581  -3.891
   81    HZ   PHE   9           HZ       PHE   9  -2.660  -5.285  -6.001
   82    H    ASN  10           HN       ASN  10  -1.624   1.460  -1.346
   83    HA   ASN  10           HA       ASN  10   0.216   1.863  -3.548
   84   1HB   ASN  10          HB2       ASN  10  -0.014   4.249  -3.030
   85   2HB   ASN  10          HB1       ASN  10  -1.596   3.486  -3.158
   86   1HD2  ASN  10          HD21      ASN  10   0.868   4.454  -0.819
   87   2HD2  ASN  10          HD22      ASN  10  -0.236   4.812   0.461
   88    H    ILE  11           HN       ILE  11   0.412   1.083  -0.310
   89    HA   ILE  11           HA       ILE  11   2.844   2.501   0.304
   90    HB   ILE  11           HB       ILE  11   1.570   0.213   1.809
   91   1HG1  ILE  11          HG12      ILE  11   1.204   3.207   2.053
   92   2HG1  ILE  11          HG11      ILE  11  -0.027   2.018   1.636
   93   1HG2  ILE  11          HG21      ILE  11   3.754   0.388   2.599
   94   2HG2  ILE  11          HG22      ILE  11   2.831   1.381   3.726
   95   3HG2  ILE  11          HG23      ILE  11   3.772   2.145   2.445
   96   1HD1  ILE  11          HD11      ILE  11   1.082   2.764   4.269
   97   2HD1  ILE  11          HD12      ILE  11   0.678   1.065   4.024
   98   3HD1  ILE  11          HD13      ILE  11  -0.558   2.304   3.810
   99    H    THR  12           HN       THR  12   1.950  -0.620  -0.959
  100    HA   THR  12           HA       THR  12   4.405  -1.956  -0.478
  101    HB   THR  12           HB       THR  12   3.461  -3.213  -2.696
  102    HG1  THR  12           HG1      THR  12   1.390  -2.811  -2.994
  103   1HG2  THR  12          HG21      THR  12   1.873  -4.068  -0.473
  104   2HG2  THR  12          HG22      THR  12   3.483  -3.629   0.096
  105   3HG2  THR  12          HG23      THR  12   3.297  -4.834  -1.178
  106    H    ASN  13           HN       ASN  13   3.896   0.724  -2.264
  107    HA   ASN  13           HA       ASN  13   5.634   0.009  -4.492
  108   1HB   ASN  13          HB2       ASN  13   3.878   2.343  -3.847
  109   2HB   ASN  13          HB1       ASN  13   5.189   2.552  -5.004
  110   1HD2  ASN  13          HD21      ASN  13   3.134  -0.260  -4.419
  111   2HD2  ASN  13          HD22      ASN  13   2.448  -0.311  -6.003
  112    H    TRP  14           HN       TRP  14   5.600   2.232  -1.712
  113    HA   TRP  14           HA       TRP  14   8.391   2.912  -2.267
  114   1HB   TRP  14          HB2       TRP  14   7.965   4.470  -0.204
  115   2HB   TRP  14          HB1       TRP  14   7.345   4.907  -1.789
  116    HD1  TRP  14           HD1      TRP  14   4.641   4.217  -2.170
  117    HE1  TRP  14           HE1      TRP  14   2.711   4.450  -0.492
  118    HE3  TRP  14           HE3      TRP  14   7.354   4.434   2.152
  119    HZ2  TRP  14           HZ2      TRP  14   2.379   4.703   2.302
  120    HZ3  TRP  14           HZ3      TRP  14   6.156   4.677   4.287
  121    HH2  TRP  14           HH2      TRP  14   3.719   4.807   4.359
  122    H    LEU  15           HN       LEU  15   6.380   1.330   0.143
  123    HA   LEU  15           HA       LEU  15   8.358   1.030   2.123
  124   1HB   LEU  15          HB2       LEU  15   6.801  -0.145   3.262
  125   2HB   LEU  15          HB1       LEU  15   5.726   0.488   2.034
  126    HG   LEU  15           HG       LEU  15   6.372  -1.735   0.780
  127   1HD1  LEU  15          HD11      LEU  15   7.977  -2.239   2.746
  128   2HD1  LEU  15          HD12      LEU  15   6.975  -3.539   2.099
  129   3HD1  LEU  15          HD13      LEU  15   6.511  -2.729   3.596
  130   1HD2  LEU  15          HD21      LEU  15   4.444  -1.654   3.097
  131   2HD2  LEU  15          HD22      LEU  15   4.398  -2.786   1.745
  132   3HD2  LEU  15          HD23      LEU  15   4.118  -1.067   1.466
  133    H    TRP  16           HN       TRP  16   7.610  -0.744  -0.791
  134    HA   TRP  16           HA       TRP  16   9.234  -3.016  -0.289
  135   1HB   TRP  16          HB2       TRP  16   7.553  -2.083  -2.381
  136   2HB   TRP  16          HB1       TRP  16   9.130  -2.405  -3.093
  137    HD1  TRP  16           HD1      TRP  16   9.265  -4.765  -4.031
  138    HE1  TRP  16           HE1      TRP  16   8.285  -7.066  -3.422
  139    HE3  TRP  16           HE3      TRP  16   6.565  -3.429   0.098
  140    HZ2  TRP  16           HZ2      TRP  16   6.590  -8.168  -1.451
  141    HZ3  TRP  16           HZ3      TRP  16   5.292  -5.165   1.287
  142    HH2  TRP  16           HH2      TRP  16   5.304  -7.485   0.528
  143    H    TYR  17           HN       TYR  17   9.836   0.220  -1.204
  144    HA   TYR  17           HA       TYR  17  12.484  -0.267  -2.268
  145   1HB   TYR  17          HB2       TYR  17  11.750   1.592  -3.350
  146   2HB   TYR  17          HB1       TYR  17  10.617   2.010  -2.071
  147    HD1  TYR  17           HD1      TYR  17  14.147   2.274  -3.148
  148    HD2  TYR  17           HD2      TYR  17  11.170   3.637  -0.430
  149    HE1  TYR  17           HE1      TYR  17  15.638   4.096  -2.436
  150    HE2  TYR  17           HE2      TYR  17  12.653   5.462   0.288
  151    HH   TYR  17           HH       TYR  17  15.953   5.751  -0.967
  152    H    ILE  18           HN       ILE  18  10.964   0.659   0.720
  153    HA   ILE  18           HA       ILE  18  13.302   1.640   2.021
  154    HB   ILE  18           HB       ILE  18  10.754   0.571   3.247
  155   1HG1  ILE  18          HG12      ILE  18  11.461   3.471   2.861
  156   2HG1  ILE  18          HG11      ILE  18  10.649   2.560   1.592
  157   1HG2  ILE  18          HG21      ILE  18  11.384   1.733   5.242
  158   2HG2  ILE  18          HG22      ILE  18  12.798   2.430   4.450
  159   3HG2  ILE  18          HG23      ILE  18  12.729   0.696   4.764
  160   1HD1  ILE  18          HD11      ILE  18   9.535   2.602   4.361
  161   2HD1  ILE  18          HD12      ILE  18   8.713   2.322   2.825
  162   3HD1  ILE  18          HD13      ILE  18   9.249   3.946   3.255
  163    H    LYS  19           HN       LYS  19  11.492  -1.421   2.306
  164    HA   LYS  19           HA       LYS  19  13.648  -2.607   3.845
  165   1HB   LYS  19          HB2       LYS  19  11.432  -4.319   2.899
  166   2HB   LYS  19          HB1       LYS  19  12.149  -4.185   4.499
  167   1HG   LYS  19          HG2       LYS  19  10.899  -1.778   4.256
  168   2HG   LYS  19          HG1       LYS  19   9.813  -2.844   3.362
  169   1HD   LYS  19          HD2       LYS  19  10.833  -3.681   6.043
  170   2HD   LYS  19          HD1       LYS  19   9.508  -2.520   5.936
  171   1HE   LYS  19          HE2       LYS  19   8.036  -4.093   5.339
  172   2HE   LYS  19          HE1       LYS  19   9.153  -4.815   4.180
  173   1HZ   LYS  19          HZ1       LYS  19   8.732  -6.435   5.837
  174   2HZ   LYS  19          HZ2       LYS  19   8.990  -5.338   7.099
  175   3HZ   LYS  19          HZ3       LYS  19  10.290  -5.849   6.146
  176   1HN   NH2  20          HN1       LYS  19  12.756  -2.622   0.378
  177   2HN   NH2  20          HN2       LYS  19  12.986  -4.326   0.203
  Start of MODEL   16
    1   1H    LYS   1          HT1       LYS   1 -16.216  -1.123   4.891
    2   2H    LYS   1          HT2       LYS   1 -16.294  -2.801   4.697
    3   3H    LYS   1          HT3       LYS   1 -17.708  -1.875   4.619
    4    HA   LYS   1           HA       LYS   1 -17.216  -2.371   2.409
    5   1HB   LYS   1          HB2       LYS   1 -16.792   0.319   3.448
    6   2HB   LYS   1          HB1       LYS   1 -15.994   0.076   1.900
    7   1HG   LYS   1          HG2       LYS   1 -18.769  -0.890   2.074
    8   2HG   LYS   1          HG1       LYS   1 -18.549   0.858   2.164
    9   1HD   LYS   1          HD2       LYS   1 -17.150  -0.713   0.039
   10   2HD   LYS   1          HD1       LYS   1 -18.856  -0.300  -0.153
   11   1HE   LYS   1          HE2       LYS   1 -16.691   1.711   0.439
   12   2HE   LYS   1          HE1       LYS   1 -17.258   1.328  -1.185
   13   1HZ   LYS   1          HZ1       LYS   1 -18.551   3.126  -0.664
   14   2HZ   LYS   1          HZ2       LYS   1 -18.645   2.742   0.981
   15   3HZ   LYS   1          HZ3       LYS   1 -19.564   1.874  -0.142
   16    H    TRP   2           HN       TRP   2 -15.546  -1.800   0.576
   17    HA   TRP   2           HA       TRP   2 -13.071  -3.133   1.339
   18   1HB   TRP   2          HB2       TRP   2 -12.690  -3.351  -1.082
   19   2HB   TRP   2          HB1       TRP   2 -14.271  -3.972  -0.622
   20    HD1  TRP   2           HD1      TRP   2 -16.424  -2.476  -1.344
   21    HE1  TRP   2           HE1      TRP   2 -16.732  -0.811  -3.282
   22    HE3  TRP   2           HE3      TRP   2 -11.512  -1.629  -2.479
   23    HZ2  TRP   2           HZ2      TRP   2 -15.107   0.666  -5.057
   24    HZ3  TRP   2           HZ3      TRP   2 -10.974  -0.078  -4.309
   25    HH2  TRP   2           HH2      TRP   2 -12.734   1.046  -5.571
   26    H    ALA   3           HN       ALA   3 -13.840  -0.177   1.791
   27    HA   ALA   3           HA       ALA   3 -11.878   1.261   0.244
   28   1HB   ALA   3          HB1       ALA   3 -12.850   3.148   1.018
   29   2HB   ALA   3          HB2       ALA   3 -13.033   2.515   2.654
   30   3HB   ALA   3          HB3       ALA   3 -14.169   2.038   1.392
   31    H    SER   4           HN       SER   4 -11.098  -0.964   2.158
   32    HA   SER   4           HA       SER   4  -9.060   0.578   3.619
   33   1HB   SER   4          HB2       SER   4 -10.578  -1.856   4.582
   34   2HB   SER   4          HB1       SER   4  -9.147  -1.208   5.384
   35    HG   SER   4           HG       SER   4 -11.479   0.320   4.871
   36    H    LEU   5           HN       LEU   5  -8.594  -0.341   1.074
   37    HA   LEU   5           HA       LEU   5  -6.564  -2.383   1.598
   38   1HB   LEU   5          HB2       LEU   5  -7.119  -3.674  -0.323
   39   2HB   LEU   5          HB1       LEU   5  -8.579  -3.480   0.626
   40    HG   LEU   5           HG       LEU   5  -8.907  -1.423  -1.065
   41   1HD1  LEU   5          HD11      LEU   5  -7.756  -1.521  -2.970
   42   2HD1  LEU   5          HD12      LEU   5  -7.993  -3.263  -3.117
   43   3HD1  LEU   5          HD13      LEU   5  -6.671  -2.632  -2.134
   44   1HD2  LEU   5          HD21      LEU   5 -10.032  -3.331  -2.559
   45   2HD2  LEU   5          HD22      LEU   5 -10.699  -2.808  -1.013
   46   3HD2  LEU   5          HD23      LEU   5  -9.714  -4.268  -1.099
   47    H    TRP   6           HN       TRP   6  -7.593   0.465  -0.007
   48    HA   TRP   6           HA       TRP   6  -5.401   0.490  -1.894
   49   1HB   TRP   6          HB2       TRP   6  -6.352   2.409  -2.809
   50   2HB   TRP   6          HB1       TRP   6  -7.760   1.541  -2.210
   51    HD1  TRP   6           HD1      TRP   6  -9.221   2.723  -0.391
   52    HE1  TRP   6           HE1      TRP   6  -9.159   5.043   0.721
   53    HE3  TRP   6           HE3      TRP   6  -4.614   4.271  -1.985
   54    HZ2  TRP   6           HZ2      TRP   6  -7.393   7.238   0.901
   55    HZ3  TRP   6           HZ3      TRP   6  -3.812   6.492  -1.296
   56    HH2  TRP   6           HH2      TRP   6  -5.176   7.946   0.116
   57    H    ASN   7           HN       ASN   7  -6.195   1.933   1.203
   58    HA   ASN   7           HA       ASN   7  -4.246   3.904   1.353
   59   1HB   ASN   7          HB2       ASN   7  -4.377   2.985   3.938
   60   2HB   ASN   7          HB1       ASN   7  -5.482   4.151   3.216
   61   1HD2  ASN   7          HD21      ASN   7  -5.046   0.623   3.169
   62   2HD2  ASN   7          HD22      ASN   7  -6.702   0.248   3.486
   63    H    TRP   8           HN       TRP   8  -3.892   0.496   1.424
   64    HA   TRP   8           HA       TRP   8  -1.094   0.782   2.299
   65   1HB   TRP   8          HB2       TRP   8  -1.236  -1.165   3.450
   66   2HB   TRP   8          HB1       TRP   8  -2.959  -0.814   3.434
   67    HD1  TRP   8           HD1      TRP   8  -4.505  -2.335   1.889
   68    HE1  TRP   8           HE1      TRP   8  -4.110  -4.621   0.766
   69    HE3  TRP   8           HE3      TRP   8   0.569  -2.559   2.309
   70    HZ2  TRP   8           HZ2      TRP   8  -1.916  -6.295   0.140
   71    HZ3  TRP   8           HZ3      TRP   8   1.747  -4.520   1.428
   72    HH2  TRP   8           HH2      TRP   8   0.532  -6.357   0.364
   73    H    PHE   9           HN       PHE   9  -3.177  -0.081  -0.278
   74    HA   PHE   9           HA       PHE   9  -1.435  -1.765  -1.739
   75   1HB   PHE   9          HB2       PHE   9  -4.002  -1.164  -2.043
   76   2HB   PHE   9          HB1       PHE   9  -3.351   0.031  -3.158
   77    HD1  PHE   9           HD1      PHE   9  -3.536  -3.584  -2.428
   78    HD2  PHE   9           HD2      PHE   9  -2.568  -0.586  -5.289
   79    HE1  PHE   9           HE1      PHE   9  -3.373  -5.310  -4.175
   80    HE2  PHE   9           HE2      PHE   9  -2.404  -2.307  -7.042
   81    HZ   PHE   9           HZ       PHE   9  -2.806  -4.672  -6.485
   82    H    ASN  10           HN       ASN  10  -1.557   1.631  -1.216
   83    HA   ASN  10           HA       ASN  10   0.166   2.233  -3.484
   84   1HB   ASN  10          HB2       ASN  10  -0.054   4.568  -2.776
   85   2HB   ASN  10          HB1       ASN  10  -1.637   3.810  -2.904
   86   1HD2  ASN  10          HD21      ASN  10   0.900   4.657  -0.600
   87   2HD2  ASN  10          HD22      ASN  10  -0.155   4.891   0.747
   88    H    ILE  11           HN       ILE  11   0.459   1.227  -0.310
   89    HA   ILE  11           HA       ILE  11   2.935   2.581   0.295
   90    HB   ILE  11           HB       ILE  11   1.732   0.230   1.753
   91   1HG1  ILE  11          HG12      ILE  11   1.240   3.196   2.112
   92   2HG1  ILE  11          HG11      ILE  11   0.056   1.981   1.640
   93   1HG2  ILE  11          HG21      ILE  11   3.781   0.400   2.702
   94   2HG2  ILE  11          HG22      ILE  11   2.983   1.667   3.632
   95   3HG2  ILE  11          HG23      ILE  11   3.979   2.090   2.240
   96   1HD1  ILE  11          HD11      ILE  11  -0.082   1.106   3.776
   97   2HD1  ILE  11          HD12      ILE  11   0.082   2.837   4.067
   98   3HD1  ILE  11          HD13      ILE  11   1.476   1.775   4.262
   99    H    THR  12           HN       THR  12   1.937  -0.456  -1.084
  100    HA   THR  12           HA       THR  12   4.336  -1.905  -0.711
  101    HB   THR  12           HB       THR  12   3.315  -2.881  -3.079
  102    HG1  THR  12           HG1      THR  12   1.568  -1.301  -2.816
  103   1HG2  THR  12          HG21      THR  12   2.745  -3.512  -0.199
  104   2HG2  THR  12          HG22      THR  12   3.788  -4.368  -1.334
  105   3HG2  THR  12          HG23      THR  12   2.035  -4.462  -1.504
  106    H    ASN  13           HN       ASN  13   3.911   0.906  -2.352
  107    HA   ASN  13           HA       ASN  13   5.661   0.287  -4.593
  108   1HB   ASN  13          HB2       ASN  13   4.188   2.793  -3.776
  109   2HB   ASN  13          HB1       ASN  13   5.281   2.723  -5.155
  110   1HD2  ASN  13          HD21      ASN  13   2.277   1.545  -3.820
  111   2HD2  ASN  13          HD22      ASN  13   1.586   1.035  -5.319
  112    H    TRP  14           HN       TRP  14   5.649   2.379  -1.715
  113    HA   TRP  14           HA       TRP  14   8.477   2.971  -2.156
  114   1HB   TRP  14          HB2       TRP  14   8.045   4.431  -0.021
  115   2HB   TRP  14          HB1       TRP  14   7.483   4.973  -1.596
  116    HD1  TRP  14           HD1      TRP  14   4.759   4.299  -2.079
  117    HE1  TRP  14           HE1      TRP  14   2.795   4.531  -0.440
  118    HE3  TRP  14           HE3      TRP  14   7.379   4.424   2.305
  119    HZ2  TRP  14           HZ2      TRP  14   2.406   4.754   2.348
  120    HZ3  TRP  14           HZ3      TRP  14   6.136   4.653   4.415
  121    HH2  TRP  14           HH2      TRP  14   3.700   4.814   4.435
  122    H    LEU  15           HN       LEU  15   6.341   1.477   0.236
  123    HA   LEU  15           HA       LEU  15   8.261   0.943   2.194
  124   1HB   LEU  15          HB2       LEU  15   6.606  -0.162   3.249
  125   2HB   LEU  15          HB1       LEU  15   5.596   0.506   1.985
  126    HG   LEU  15           HG       LEU  15   6.243  -1.721   0.737
  127   1HD1  LEU  15          HD11      LEU  15   7.735  -2.253   2.810
  128   2HD1  LEU  15          HD12      LEU  15   6.803  -3.531   2.028
  129   3HD1  LEU  15          HD13      LEU  15   6.210  -2.793   3.515
  130   1HD2  LEU  15          HD21      LEU  15   4.249  -1.843   2.981
  131   2HD2  LEU  15          HD22      LEU  15   4.179  -2.641   1.409
  132   3HD2  LEU  15          HD23      LEU  15   3.983  -0.892   1.520
  133    H    TRP  16           HN       TRP  16   7.430  -0.729  -0.776
  134    HA   TRP  16           HA       TRP  16   8.922  -3.086  -0.358
  135   1HB   TRP  16          HB2       TRP  16   7.388  -1.933  -2.459
  136   2HB   TRP  16          HB1       TRP  16   8.962  -2.346  -3.129
  137    HD1  TRP  16           HD1      TRP  16   8.820  -4.619  -4.270
  138    HE1  TRP  16           HE1      TRP  16   7.691  -6.878  -3.772
  139    HE3  TRP  16           HE3      TRP  16   6.386  -3.379   0.053
  140    HZ2  TRP  16           HZ2      TRP  16   5.993  -7.987  -1.810
  141    HZ3  TRP  16           HZ3      TRP  16   5.031  -5.097   1.177
  142    HH2  TRP  16           HH2      TRP  16   4.839  -7.353   0.264
  143    H    TYR  17           HN       TYR  17   9.733   0.133  -1.340
  144    HA   TYR  17           HA       TYR  17  12.373  -0.483  -2.282
  145   1HB   TYR  17          HB2       TYR  17  11.725   1.461  -3.287
  146   2HB   TYR  17          HB1       TYR  17  10.691   1.936  -1.944
  147    HD1  TYR  17           HD1      TYR  17  11.490   3.399  -0.237
  148    HD2  TYR  17           HD2      TYR  17  14.163   1.927  -3.202
  149    HE1  TYR  17           HE1      TYR  17  13.182   5.032   0.485
  150    HE2  TYR  17           HE2      TYR  17  15.862   3.554  -2.487
  151    HH   TYR  17           HH       TYR  17  15.599   6.034  -1.175
  152    H    ILE  18           HN       ILE  18  10.898   0.566   0.717
  153    HA   ILE  18           HA       ILE  18  13.305   1.236   2.075
  154    HB   ILE  18           HB       ILE  18  10.637   0.423   3.243
  155   1HG1  ILE  18          HG12      ILE  18  11.647   3.240   2.939
  156   2HG1  ILE  18          HG11      ILE  18  10.783   2.447   1.625
  157   1HG2  ILE  18          HG21      ILE  18  13.182   1.184   4.431
  158   2HG2  ILE  18          HG22      ILE  18  11.763   0.441   5.170
  159   3HG2  ILE  18          HG23      ILE  18  11.840   2.192   4.973
  160   1HD1  ILE  18          HD11      ILE  18   8.868   2.103   3.112
  161   2HD1  ILE  18          HD12      ILE  18   9.282   3.809   2.940
  162   3HD1  ILE  18          HD13      ILE  18   9.735   2.934   4.403
  163    H    LYS  19           HN       LYS  19  11.371  -1.703   1.809
  164    HA   LYS  19           HA       LYS  19  13.012  -3.154   3.687
  165   1HB   LYS  19          HB2       LYS  19  10.485  -3.557   2.304
  166   2HB   LYS  19          HB1       LYS  19  11.483  -5.002   2.279
  167   1HG   LYS  19          HG2       LYS  19  10.210  -5.247   4.202
  168   2HG   LYS  19          HG1       LYS  19  11.747  -4.620   4.804
  169   1HD   LYS  19          HD2       LYS  19  10.865  -2.567   5.318
  170   2HD   LYS  19          HD1       LYS  19   9.608  -2.679   4.085
  171   1HE   LYS  19          HE2       LYS  19   8.825  -2.824   6.480
  172   2HE   LYS  19          HE1       LYS  19   8.296  -4.126   5.413
  173   1HZ   LYS  19          HZ1       LYS  19  10.660  -4.336   7.202
  174   2HZ   LYS  19          HZ2       LYS  19   9.917  -5.584   6.336
  175   3HZ   LYS  19          HZ3       LYS  19   9.112  -4.865   7.639
  176   1HN   NH2  20          HN1       LYS  19  13.040  -2.784   0.108
  177   2HN   NH2  20          HN2       LYS  19  13.529  -4.418  -0.166
  Start of MODEL   17
    1   1H    LYS   1          HT1       LYS   1  18.405  -1.129   3.294
    2   2H    LYS   1          HT2       LYS   1  16.878  -0.835   3.958
    3   3H    LYS   1          HT3       LYS   1  17.925   0.455   3.643
    4    HA   LYS   1           HA       LYS   1  17.792   0.050   1.281
    5   1HB   LYS   1          HB2       LYS   1  16.174  -2.276   2.271
    6   2HB   LYS   1          HB1       LYS   1  15.881  -1.625   0.664
    7   1HG   LYS   1          HG2       LYS   1  18.702  -2.099   1.211
    8   2HG   LYS   1          HG1       LYS   1  17.711  -3.557   1.306
    9   1HD   LYS   1          HD2       LYS   1  17.775  -3.665  -0.916
   10   2HD   LYS   1          HD1       LYS   1  16.821  -2.181  -0.965
   11   1HE   LYS   1          HE2       LYS   1  19.805  -2.119  -0.661
   12   2HE   LYS   1          HE1       LYS   1  19.046  -2.236  -2.248
   13   1HZ   LYS   1          HZ1       LYS   1  19.625   0.072  -1.228
   14   2HZ   LYS   1          HZ2       LYS   1  18.164  -0.130  -0.400
   15   3HZ   LYS   1          HZ3       LYS   1  18.184  -0.136  -2.092
   16    H    TRP   2           HN       TRP   2  15.515   0.218  -0.014
   17    HA   TRP   2           HA       TRP   2  13.952   2.191   1.509
   18   1HB   TRP   2          HB2       TRP   2  13.288   3.061  -0.751
   19   2HB   TRP   2          HB1       TRP   2  15.006   3.206  -0.394
   20    HD1  TRP   2           HD1      TRP   2  16.692   1.722  -1.831
   21    HE1  TRP   2           HE1      TRP   2  16.420   0.465  -4.060
   22    HE3  TRP   2           HE3      TRP   2  11.588   1.717  -2.146
   23    HZ2  TRP   2           HZ2      TRP   2  14.319  -0.413  -5.729
   24    HZ3  TRP   2           HZ3      TRP   2  10.528   0.646  -4.091
   25    HH2  TRP   2           HH2      TRP   2  11.867  -0.396  -5.845
   26    H    ALA   3           HN       ALA   3  13.679  -0.857   1.175
   27    HA   ALA   3           HA       ALA   3  11.210  -1.227  -0.226
   28   1HB   ALA   3          HB1       ALA   3  12.328  -3.148   1.783
   29   2HB   ALA   3          HB2       ALA   3  13.056  -2.951   0.189
   30   3HB   ALA   3          HB3       ALA   3  11.380  -3.483   0.334
   31    H    SER   4           HN       SER   4  11.421   0.672   2.182
   32    HA   SER   4           HA       SER   4   9.270  -0.513   3.798
   33   1HB   SER   4          HB2       SER   4  11.073   1.819   4.489
   34   2HB   SER   4          HB1       SER   4   9.877   1.074   5.549
   35    HG   SER   4           HG       SER   4  12.054   0.331   5.894
   36    H    LEU   5           HN       LEU   5   8.891   0.713   1.188
   37    HA   LEU   5           HA       LEU   5   6.977   2.783   1.999
   38   1HB   LEU   5          HB2       LEU   5   7.542   4.175   0.108
   39   2HB   LEU   5          HB1       LEU   5   8.962   3.917   1.103
   40    HG   LEU   5           HG       LEU   5   9.318   1.937  -0.684
   41   1HD1  LEU   5          HD11      LEU   5   7.646   4.027  -2.030
   42   2HD1  LEU   5          HD12      LEU   5   7.499   2.271  -2.099
   43   3HD1  LEU   5          HD13      LEU   5   8.828   3.079  -2.932
   44   1HD2  LEU   5          HD21      LEU   5  11.061   3.439  -0.244
   45   2HD2  LEU   5          HD22      LEU   5  10.122   4.827  -0.794
   46   3HD2  LEU   5          HD23      LEU   5  10.721   3.648  -1.962
   47    H    TRP   6           HN       TRP   6   7.654  -0.046   0.316
   48    HA   TRP   6           HA       TRP   6   5.412   0.278  -1.525
   49   1HB   TRP   6          HB2       TRP   6   6.268  -1.477  -2.777
   50   2HB   TRP   6          HB1       TRP   6   7.730  -0.735  -2.143
   51    HD1  TRP   6           HD1      TRP   6   9.267  -2.204  -0.617
   52    HE1  TRP   6           HE1      TRP   6   9.210  -4.669   0.122
   53    HE3  TRP   6           HE3      TRP   6   4.540  -3.398  -2.149
   54    HZ2  TRP   6           HZ2      TRP   6   7.397  -6.835   0.063
   55    HZ3  TRP   6           HZ3      TRP   6   3.717  -5.687  -1.769
   56    HH2  TRP   6           HH2      TRP   6   5.120  -7.370  -0.688
   57    H    ASN   7           HN       ASN   7   6.337  -1.417   1.369
   58    HA   ASN   7           HA       ASN   7   4.486  -3.480   1.419
   59   1HB   ASN   7          HB2       ASN   7   4.621  -2.713   4.060
   60   2HB   ASN   7          HB1       ASN   7   5.742  -3.802   3.250
   61   1HD2  ASN   7          HD21      ASN   7   5.221  -0.288   3.329
   62   2HD2  ASN   7          HD22      ASN   7   6.866   0.117   3.670
   63    H    TRP   8           HN       TRP   8   3.942  -0.106   1.733
   64    HA   TRP   8           HA       TRP   8   1.195  -0.614   2.663
   65   1HB   TRP   8          HB2       TRP   8   1.241   1.300   3.883
   66   2HB   TRP   8          HB1       TRP   8   2.979   1.029   3.834
   67    HD1  TRP   8           HD1      TRP   8   4.438   2.699   2.381
   68    HE1  TRP   8           HE1      TRP   8   3.923   4.995   1.327
   69    HE3  TRP   8           HE3      TRP   8  -0.644   2.621   2.756
   70    HZ2  TRP   8           HZ2      TRP   8   1.642   6.560   0.729
   71    HZ3  TRP   8           HZ3      TRP   8  -1.925   4.540   1.922
   72    HH2  TRP   8           HH2      TRP   8  -0.808   6.474   0.929
   73    H    PHE   9           HN       PHE   9   3.140   0.619   0.098
   74    HA   PHE   9           HA       PHE   9   1.224   2.214  -1.220
   75   1HB   PHE   9          HB2       PHE   9   3.874   1.284  -1.710
   76   2HB   PHE   9          HB1       PHE   9   2.910   0.952  -3.141
   77    HD1  PHE   9           HD1      PHE   9   4.385   2.513  -4.346
   78    HD2  PHE   9           HD2      PHE   9   1.932   3.793  -1.112
   79    HE1  PHE   9           HE1      PHE   9   4.662   4.851  -5.065
   80    HE2  PHE   9           HE2      PHE   9   2.203   6.132  -1.826
   81    HZ   PHE   9           HZ       PHE   9   3.570   6.664  -3.805
   82    H    ASN  10           HN       ASN  10   1.651  -1.197  -0.948
   83    HA   ASN  10           HA       ASN  10  -0.051  -1.806  -3.216
   84   1HB   ASN  10          HB2       ASN  10   0.327  -4.136  -2.646
   85   2HB   ASN  10          HB1       ASN  10   1.863  -3.276  -2.628
   86   1HD2  ASN  10          HD21      ASN  10  -0.689  -4.590  -0.608
   87   2HD2  ASN  10          HD22      ASN  10   0.281  -4.795   0.806
   88    H    ILE  11           HN       ILE  11  -0.445  -0.912  -0.028
   89    HA   ILE  11           HA       ILE  11  -2.828  -2.441   0.529
   90    HB   ILE  11           HB       ILE  11  -1.788  -0.025   2.010
   91   1HG1  ILE  11          HG12      ILE  11  -1.170  -2.963   2.389
   92   2HG1  ILE  11          HG11      ILE  11  -0.032  -1.696   1.937
   93   1HG2  ILE  11          HG21      ILE  11  -3.721  -0.246   3.100
   94   2HG2  ILE  11          HG22      ILE  11  -3.038  -1.716   3.793
   95   3HG2  ILE  11          HG23      ILE  11  -4.055  -1.810   2.356
   96   1HD1  ILE  11          HD11      ILE  11  -1.256  -2.288   4.586
   97   2HD1  ILE  11          HD12      ILE  11  -0.738  -0.645   4.213
   98   3HD1  ILE  11          HD13      ILE  11   0.427  -1.969   4.166
   99    H    THR  12           HN       THR  12  -2.015   0.683  -0.781
  100    HA   THR  12           HA       THR  12  -4.542   1.920  -0.460
  101    HB   THR  12           HB       THR  12  -3.509   3.121  -2.696
  102    HG1  THR  12           HG1      THR  12  -1.205   2.663  -1.167
  103   1HG2  THR  12          HG21      THR  12  -2.215   4.106  -0.294
  104   2HG2  THR  12          HG22      THR  12  -3.919   3.740  -0.020
  105   3HG2  THR  12          HG23      THR  12  -3.452   4.863  -1.297
  106    H    ASN  13           HN       ASN  13  -3.877  -0.792  -2.124
  107    HA   ASN  13           HA       ASN  13  -5.536  -0.197  -4.448
  108   1HB   ASN  13          HB2       ASN  13  -3.859  -2.577  -3.664
  109   2HB   ASN  13          HB1       ASN  13  -4.957  -2.614  -5.040
  110   1HD2  ASN  13          HD21      ASN  13  -1.877  -1.838  -3.972
  111   2HD2  ASN  13          HD22      ASN  13  -1.330  -0.977  -5.367
  112    H    TRP  14           HN       TRP  14  -5.483  -2.405  -1.655
  113    HA   TRP  14           HA       TRP  14  -8.225  -3.206  -2.250
  114   1HB   TRP  14          HB2       TRP  14  -7.798  -4.656  -0.108
  115   2HB   TRP  14          HB1       TRP  14  -7.101  -5.126  -1.651
  116    HD1  TRP  14           HD1      TRP  14  -4.417  -4.302  -1.968
  117    HE1  TRP  14           HE1      TRP  14  -2.541  -4.377  -0.217
  118    HE3  TRP  14           HE3      TRP  14  -7.268  -4.533   2.266
  119    HZ2  TRP  14           HZ2      TRP  14  -2.298  -4.523   2.593
  120    HZ3  TRP  14           HZ3      TRP  14  -6.136  -4.642   4.446
  121    HH2  TRP  14           HH2      TRP  14  -3.700  -4.638   4.605
  122    H    LEU  15           HN       LEU  15  -6.367  -1.530   0.245
  123    HA   LEU  15           HA       LEU  15  -8.433  -1.202   2.104
  124   1HB   LEU  15          HB2       LEU  15  -6.962   0.061   3.258
  125   2HB   LEU  15          HB1       LEU  15  -5.819  -0.550   2.081
  126    HG   LEU  15           HG       LEU  15  -6.522   1.610   0.750
  127   1HD1  LEU  15          HD11      LEU  15  -7.186   3.444   2.044
  128   2HD1  LEU  15          HD12      LEU  15  -6.868   2.601   3.561
  129   3HD1  LEU  15          HD13      LEU  15  -8.243   2.129   2.560
  130   1HD2  LEU  15          HD21      LEU  15  -4.693   1.757   3.140
  131   2HD2  LEU  15          HD22      LEU  15  -4.617   2.748   1.683
  132   3HD2  LEU  15          HD23      LEU  15  -4.269   1.021   1.595
  133    H    TRP  16           HN       TRP  16  -7.570   0.596  -0.785
  134    HA   TRP  16           HA       TRP  16  -9.322   2.780  -0.425
  135   1HB   TRP  16          HB2       TRP  16  -7.474   1.940  -2.371
  136   2HB   TRP  16          HB1       TRP  16  -9.017   2.055  -3.211
  137    HD1  TRP  16           HD1      TRP  16  -9.420   4.357  -4.228
  138    HE1  TRP  16           HE1      TRP  16  -8.692   6.768  -3.701
  139    HE3  TRP  16           HE3      TRP  16  -6.698   3.476   0.009
  140    HZ2  TRP  16           HZ2      TRP  16  -7.167   8.119  -1.746
  141    HZ3  TRP  16           HZ3      TRP  16  -5.637   5.382   1.148
  142    HH2  TRP  16           HH2      TRP  16  -5.867   7.655   0.287
  143    H    TYR  17           HN       TYR  17  -9.745  -0.481  -1.475
  144    HA   TYR  17           HA       TYR  17 -12.340  -0.083  -2.649
  145   1HB   TYR  17          HB2       TYR  17 -11.464  -1.938  -3.633
  146   2HB   TYR  17          HB1       TYR  17 -10.462  -2.331  -2.241
  147    HD1  TYR  17           HD1      TYR  17 -11.177  -3.922  -0.625
  148    HD2  TYR  17           HD2      TYR  17 -13.856  -2.641  -3.674
  149    HE1  TYR  17           HE1      TYR  17 -12.722  -5.740  -0.026
  150    HE2  TYR  17           HE2      TYR  17 -15.409  -4.453  -3.081
  151    HH   TYR  17           HH       TYR  17 -14.525  -7.000  -0.923
  152    H    ILE  18           HN       ILE  18 -11.031  -0.839   0.474
  153    HA   ILE  18           HA       ILE  18 -13.442  -1.857   1.623
  154    HB   ILE  18           HB       ILE  18 -11.035  -0.691   3.031
  155   1HG1  ILE  18          HG12      ILE  18 -11.587  -3.621   2.611
  156   2HG1  ILE  18          HG11      ILE  18 -10.702  -2.684   1.411
  157   1HG2  ILE  18          HG21      ILE  18 -13.127  -2.608   4.055
  158   2HG2  ILE  18          HG22      ILE  18 -13.102  -0.876   4.391
  159   3HG2  ILE  18          HG23      ILE  18 -11.790  -1.905   4.967
  160   1HD1  ILE  18          HD11      ILE  18  -8.910  -3.330   2.581
  161   2HD1  ILE  18          HD12      ILE  18  -9.855  -3.681   4.028
  162   3HD1  ILE  18          HD13      ILE  18  -9.368  -2.023   3.673
  163    H    LYS  19           HN       LYS  19 -11.821   1.297   1.614
  164    HA   LYS  19           HA       LYS  19 -13.927   2.495   3.203
  165   1HB   LYS  19          HB2       LYS  19 -11.613   3.844   1.802
  166   2HB   LYS  19          HB1       LYS  19 -12.632   4.538   3.056
  167   1HG   LYS  19          HG2       LYS  19 -11.761   2.997   4.686
  168   2HG   LYS  19          HG1       LYS  19 -10.830   2.158   3.443
  169   1HD   LYS  19          HD2       LYS  19  -9.305   3.881   3.235
  170   2HD   LYS  19          HD1       LYS  19 -10.431   5.089   3.859
  171   1HE   LYS  19          HE2       LYS  19 -10.070   4.471   6.065
  172   2HE   LYS  19          HE1       LYS  19  -9.467   2.873   5.622
  173   1HZ   LYS  19          HZ1       LYS  19  -7.659   4.280   6.362
  174   2HZ   LYS  19          HZ2       LYS  19  -8.047   5.456   5.208
  175   3HZ   LYS  19          HZ3       LYS  19  -7.472   3.945   4.712
  176   1HN   NH2  20          HN1       LYS  19 -14.274   1.859  -0.273
  177   2HN   NH2  20          HN2       LYS  19 -13.439   3.320  -0.661
  Start of MODEL   18
    1   1H    LYS   1          HT1       LYS   1  17.139   2.134  -3.843
    2   2H    LYS   1          HT2       LYS   1  16.589   0.656  -4.454
    3   3H    LYS   1          HT3       LYS   1  18.196   0.816  -3.950
    4    HA   LYS   1           HA       LYS   1  17.629   0.090  -1.962
    5   1HB   LYS   1          HB2       LYS   1  17.210   2.733  -1.935
    6   2HB   LYS   1          HB1       LYS   1  15.575   2.206  -1.564
    7   1HG   LYS   1          HG2       LYS   1  17.347   0.726   0.075
    8   2HG   LYS   1          HG1       LYS   1  17.808   2.426   0.170
    9   1HD   LYS   1          HD2       LYS   1  15.183   2.734   0.404
   10   2HD   LYS   1          HD1       LYS   1  15.295   1.082   1.015
   11   1HE   LYS   1          HE2       LYS   1  16.038   1.819   2.973
   12   2HE   LYS   1          HE1       LYS   1  17.373   2.657   2.183
   13   1HZ   LYS   1          HZ1       LYS   1  14.693   3.702   2.857
   14   2HZ   LYS   1          HZ2       LYS   1  15.665   4.459   1.698
   15   3HZ   LYS   1          HZ3       LYS   1  16.207   4.317   3.294
   16    H    TRP   2           HN       TRP   2  15.732  -0.530  -0.446
   17    HA   TRP   2           HA       TRP   2  13.779  -1.940  -2.094
   18   1HB   TRP   2          HB2       TRP   2  13.312  -3.245  -0.058
   19   2HB   TRP   2          HB1       TRP   2  15.025  -3.265  -0.462
   20    HD1  TRP   2           HD1      TRP   2  16.662  -1.759   1.127
   21    HE1  TRP   2           HE1      TRP   2  16.414  -1.081   3.597
   22    HE3  TRP   2           HE3      TRP   2  11.661  -2.641   1.717
   23    HZ2  TRP   2           HZ2      TRP   2  14.370  -0.940   5.539
   24    HZ3  TRP   2           HZ3      TRP   2  10.637  -2.211   3.911
   25    HH2  TRP   2           HH2      TRP   2  11.965  -1.377   5.783
   26    H    ALA   3           HN       ALA   3  13.757   1.010  -1.197
   27    HA   ALA   3           HA       ALA   3  11.389   1.184   0.437
   28   1HB   ALA   3          HB1       ALA   3  11.629   3.588   0.196
   29   2HB   ALA   3          HB2       ALA   3  12.857   3.359  -1.049
   30   3HB   ALA   3          HB3       ALA   3  13.178   2.854   0.610
   31    H    SER   4           HN       SER   4  11.204  -0.206  -2.164
   32    HA   SER   4           HA       SER   4   9.166   1.499  -3.434
   33   1HB   SER   4          HB2       SER   4   9.817  -0.483  -5.281
   34   2HB   SER   4          HB1       SER   4  10.331   1.203  -5.332
   35    HG   SER   4           HG       SER   4  11.725  -0.846  -3.951
   36    H    LEU   5           HN       LEU   5   9.113  -0.595  -1.219
   37    HA   LEU   5           HA       LEU   5   7.001  -2.270  -2.408
   38   1HB   LEU   5          HB2       LEU   5   7.528  -3.937  -0.628
   39   2HB   LEU   5          HB1       LEU   5   8.798  -3.713  -1.814
   40    HG   LEU   5           HG       LEU   5   9.676  -1.994   0.036
   41   1HD1  LEU   5          HD11      LEU   5   8.544  -4.148   1.776
   42   2HD1  LEU   5          HD12      LEU   5   7.614  -2.688   1.434
   43   3HD1  LEU   5          HD13      LEU   5   9.185  -2.567   2.225
   44   1HD2  LEU   5          HD21      LEU   5  10.747  -4.276   1.020
   45   2HD2  LEU   5          HD22      LEU   5  11.273  -3.495  -0.471
   46   3HD2  LEU   5          HD23      LEU   5  10.135  -4.841  -0.534
   47    H    TRP   6           HN       TRP   6   7.670   0.205  -0.278
   48    HA   TRP   6           HA       TRP   6   5.594  -0.446   1.636
   49   1HB   TRP   6          HB2       TRP   6   6.326   1.375   2.894
   50   2HB   TRP   6          HB1       TRP   6   7.807   0.833   2.116
   51    HD1  TRP   6           HD1      TRP   6   9.029   2.519   0.534
   52    HE1  TRP   6           HE1      TRP   6   8.631   4.981  -0.100
   53    HE3  TRP   6           HE3      TRP   6   4.335   3.116   2.481
   54    HZ2  TRP   6           HZ2      TRP   6   6.599   6.919   0.185
   55    HZ3  TRP   6           HZ3      TRP   6   3.234   5.304   2.253
   56    HH2  TRP   6           HH2      TRP   6   4.345   7.167   1.131
   57    H    ASN   7           HN       ASN   7   6.027   1.497  -1.221
   58    HA   ASN   7           HA       ASN   7   3.938   3.288  -1.020
   59   1HB   ASN   7          HB2       ASN   7   4.491   1.901  -3.619
   60   2HB   ASN   7          HB1       ASN   7   4.096   3.592  -3.331
   61   1HD2  ASN   7          HD21      ASN   7   6.369   2.096  -4.673
   62   2HD2  ASN   7          HD22      ASN   7   7.790   2.836  -4.024
   63    H    TRP   8           HN       TRP   8   3.822   0.122  -2.586
   64    HA   TRP   8           HA       TRP   8   0.997   0.112  -2.854
   65   1HB   TRP   8          HB2       TRP   8   1.296  -1.809  -4.017
   66   2HB   TRP   8          HB1       TRP   8   2.991  -1.343  -3.972
   67    HD1  TRP   8           HD1      TRP   8   4.621  -2.782  -2.453
   68    HE1  TRP   8           HE1      TRP   8   4.357  -5.077  -1.307
   69    HE3  TRP   8           HE3      TRP   8  -0.443  -3.303  -2.844
   70    HZ2  TRP   8           HZ2      TRP   8   2.271  -6.870  -0.660
   71    HZ3  TRP   8           HZ3      TRP   8  -1.497  -5.327  -1.939
   72    HH2  TRP   8           HH2      TRP   8  -0.170  -7.078  -0.869
   73    H    PHE   9           HN       PHE   9   3.218  -0.934  -0.379
   74    HA   PHE   9           HA       PHE   9   1.456  -2.562   1.108
   75   1HB   PHE   9          HB2       PHE   9   4.116  -1.816   1.313
   76   2HB   PHE   9          HB1       PHE   9   3.379  -1.059   2.722
   77    HD1  PHE   9           HD1      PHE   9   4.138  -4.238   1.067
   78    HD2  PHE   9           HD2      PHE   9   2.502  -2.375   4.526
   79    HE1  PHE   9           HE1      PHE   9   4.208  -6.392   2.256
   80    HE2  PHE   9           HE2      PHE   9   2.569  -4.525   5.720
   81    HZ   PHE   9           HZ       PHE   9   3.424  -6.537   4.586
   82    H    ASN  10           HN       ASN  10   1.726   0.826   0.689
   83    HA   ASN  10           HA       ASN  10   0.113   1.423   3.045
   84   1HB   ASN  10          HB2       ASN  10   1.759   3.052   2.873
   85   2HB   ASN  10          HB1       ASN  10   1.720   3.049   1.113
   86   1HD2  ASN  10          HD21      ASN  10   0.607   4.581   0.111
   87   2HD2  ASN  10          HD22      ASN  10  -0.479   5.690   0.872
   88    H    ILE  11           HN       ILE  11  -0.188   0.792  -0.257
   89    HA   ILE  11           HA       ILE  11  -2.543   2.309  -0.806
   90    HB   ILE  11           HB       ILE  11  -1.478  -0.141  -2.223
   91   1HG1  ILE  11          HG12      ILE  11  -1.053   2.815  -2.704
   92   2HG1  ILE  11          HG11      ILE  11   0.168   1.625  -2.265
   93   1HG2  ILE  11          HG21      ILE  11  -3.273  -0.065  -3.522
   94   2HG2  ILE  11          HG22      ILE  11  -2.953   1.626  -3.909
   95   3HG2  ILE  11          HG23      ILE  11  -3.938   1.214  -2.505
   96   1HD1  ILE  11          HD11      ILE  11  -0.880   0.597  -4.583
   97   2HD1  ILE  11          HD12      ILE  11   0.612   1.528  -4.440
   98   3HD1  ILE  11          HD13      ILE  11  -0.895   2.336  -4.872
   99    H    THR  12           HN       THR  12  -1.865  -0.836   0.534
  100    HA   THR  12           HA       THR  12  -4.445  -1.970   0.261
  101    HB   THR  12           HB       THR  12  -3.572  -3.269   2.417
  102    HG1  THR  12           HG1      THR  12  -1.710  -2.375   2.965
  103   1HG2  THR  12          HG21      THR  12  -3.190  -3.560  -0.444
  104   2HG2  THR  12          HG22      THR  12  -3.578  -4.779   0.770
  105   3HG2  THR  12          HG23      THR  12  -1.896  -4.331   0.474
  106    H    ASN  13           HN       ASN  13  -3.531   0.708   1.943
  107    HA   ASN  13           HA       ASN  13  -5.189   0.282   4.285
  108   1HB   ASN  13          HB2       ASN  13  -3.433   2.528   3.334
  109   2HB   ASN  13          HB1       ASN  13  -4.563   2.769   4.663
  110   1HD2  ASN  13          HD21      ASN  13  -2.200   0.331   3.622
  111   2HD2  ASN  13          HD22      ASN  13  -1.471   0.131   5.175
  112    H    TRP  14           HN       TRP  14  -5.185   2.457   1.456
  113    HA   TRP  14           HA       TRP  14  -7.901   3.288   2.106
  114   1HB   TRP  14          HB2       TRP  14  -7.527   4.685  -0.076
  115   2HB   TRP  14          HB1       TRP  14  -6.761   5.174   1.429
  116    HD1  TRP  14           HD1      TRP  14  -4.079   4.384   1.657
  117    HE1  TRP  14           HE1      TRP  14  -2.279   4.347  -0.170
  118    HE3  TRP  14           HE3      TRP  14  -7.107   4.378  -2.457
  119    HZ2  TRP  14           HZ2      TRP  14  -2.152   4.320  -2.993
  120    HZ3  TRP  14           HZ3      TRP  14  -6.067   4.348  -4.687
  121    HH2  TRP  14           HH2      TRP  14  -3.640   4.321  -4.947
  122    H    LEU  15           HN       LEU  15  -6.154   1.566  -0.451
  123    HA   LEU  15           HA       LEU  15  -8.279   1.240  -2.226
  124   1HB   LEU  15          HB2       LEU  15  -6.867  -0.068  -3.395
  125   2HB   LEU  15          HB1       LEU  15  -5.681   0.488  -2.235
  126    HG   LEU  15           HG       LEU  15  -6.458  -1.636  -0.894
  127   1HD1  LEU  15          HD11      LEU  15  -7.297  -3.407  -2.124
  128   2HD1  LEU  15          HD12      LEU  15  -6.845  -2.682  -3.667
  129   3HD1  LEU  15          HD13      LEU  15  -8.212  -2.038  -2.757
  130   1HD2  LEU  15          HD21      LEU  15  -4.208  -1.068  -1.929
  131   2HD2  LEU  15          HD22      LEU  15  -4.726  -2.030  -3.314
  132   3HD2  LEU  15          HD23      LEU  15  -4.581  -2.779  -1.724
  133    H    TRP  16           HN       TRP  16  -7.434  -0.477   0.709
  134    HA   TRP  16           HA       TRP  16  -9.256  -2.626   0.444
  135   1HB   TRP  16          HB2       TRP  16  -7.388  -1.708   2.381
  136   2HB   TRP  16          HB1       TRP  16  -8.934  -1.895   3.199
  137    HD1  TRP  16           HD1      TRP  16  -9.130  -4.195   4.273
  138    HE1  TRP  16           HE1      TRP  16  -8.339  -6.579   3.717
  139    HE3  TRP  16           HE3      TRP  16  -6.673  -3.232  -0.103
  140    HZ2  TRP  16           HZ2      TRP  16  -6.866  -7.880   1.691
  141    HZ3  TRP  16           HZ3      TRP  16  -5.597  -5.101  -1.287
  142    HH2  TRP  16           HH2      TRP  16  -5.692  -7.377  -0.407
  143    H    TYR  17           HN       TYR  17  -9.489   0.645   1.645
  144    HA   TYR  17           HA       TYR  17 -12.068   0.436   2.811
  145   1HB   TYR  17          HB2       TYR  17 -11.194   2.372   3.599
  146   2HB   TYR  17          HB1       TYR  17 -10.119   2.552   2.217
  147    HD1  TYR  17           HD1      TYR  17 -10.666   4.011   0.421
  148    HD2  TYR  17           HD2      TYR  17 -13.543   3.210   3.452
  149    HE1  TYR  17           HE1      TYR  17 -12.069   5.840  -0.436
  150    HE2  TYR  17           HE2      TYR  17 -14.954   5.036   2.602
  151    HH   TYR  17           HH       TYR  17 -14.016   7.414   0.830
  152    H    ILE  18           HN       ILE  18 -10.858   1.109  -0.398
  153    HA   ILE  18           HA       ILE  18 -13.347   1.972  -1.505
  154    HB   ILE  18           HB       ILE  18 -10.921   0.881  -2.945
  155   1HG1  ILE  18          HG12      ILE  18 -11.556   3.798  -2.691
  156   2HG1  ILE  18          HG11      ILE  18 -10.740   2.980  -1.363
  157   1HG2  ILE  18          HG21      ILE  18 -11.829   2.286  -4.822
  158   2HG2  ILE  18          HG22      ILE  18 -13.307   2.465  -3.877
  159   3HG2  ILE  18          HG23      ILE  18 -12.791   0.866  -4.412
  160   1HD1  ILE  18          HD11      ILE  18  -9.570   4.106  -3.607
  161   2HD1  ILE  18          HD12      ILE  18  -9.497   2.367  -3.893
  162   3HD1  ILE  18          HD13      ILE  18  -8.797   3.049  -2.425
  163    H    LYS  19           HN       LYS  19 -11.704  -1.100  -1.142
  164    HA   LYS  19           HA       LYS  19 -13.469  -2.542  -2.886
  165   1HB   LYS  19          HB2       LYS  19 -11.084  -3.099  -1.314
  166   2HB   LYS  19          HB1       LYS  19 -12.263  -4.399  -1.204
  167   1HG   LYS  19          HG2       LYS  19 -12.272  -3.927  -3.871
  168   2HG   LYS  19          HG1       LYS  19 -10.599  -3.542  -3.460
  169   1HD   LYS  19          HD2       LYS  19 -11.127  -5.881  -2.062
  170   2HD   LYS  19          HD1       LYS  19 -11.925  -6.116  -3.619
  171   1HE   LYS  19          HE2       LYS  19  -9.343  -4.932  -4.014
  172   2HE   LYS  19          HE1       LYS  19  -9.188  -6.379  -3.016
  173   1HZ   LYS  19          HZ1       LYS  19 -10.454  -7.603  -4.713
  174   2HZ   LYS  19          HZ2       LYS  19  -9.018  -6.960  -5.339
  175   3HZ   LYS  19          HZ3       LYS  19 -10.498  -6.216  -5.683
  176   1HN   NH2  20          HN1       LYS  19 -13.045  -2.984   0.726
  177   2HN   NH2  20          HN2       LYS  19 -14.446  -3.994   0.738
  Start of MODEL   19
    1   1H    LYS   1          HT1       LYS   1 -18.119  -0.771   3.340
    2   2H    LYS   1          HT2       LYS   1 -18.302  -2.286   2.611
    3   3H    LYS   1          HT3       LYS   1 -19.365  -1.028   2.225
    4    HA   LYS   1           HA       LYS   1 -17.984  -1.006   0.417
    5   1HB   LYS   1          HB2       LYS   1 -17.820   1.056   2.291
    6   2HB   LYS   1          HB1       LYS   1 -16.154   0.783   1.799
    7   1HG   LYS   1          HG2       LYS   1 -17.831   0.803  -0.515
    8   2HG   LYS   1          HG1       LYS   1 -18.142   2.244   0.455
    9   1HD   LYS   1          HD2       LYS   1 -16.194   3.153  -0.135
   10   2HD   LYS   1          HD1       LYS   1 -15.311   1.682   0.281
   11   1HE   LYS   1          HE2       LYS   1 -15.038   2.283  -2.083
   12   2HE   LYS   1          HE1       LYS   1 -15.834   0.723  -1.883
   13   1HZ   LYS   1          HZ1       LYS   1 -17.874   1.598  -2.517
   14   2HZ   LYS   1          HZ2       LYS   1 -16.792   2.354  -3.575
   15   3HZ   LYS   1          HZ3       LYS   1 -17.402   3.200  -2.243
   16    H    TRP   2           HN       TRP   2 -15.241  -0.193   0.350
   17    HA   TRP   2           HA       TRP   2 -13.703  -2.287   1.627
   18   1HB   TRP   2          HB2       TRP   2 -12.770  -3.039  -0.615
   19   2HB   TRP   2          HB1       TRP   2 -14.411  -3.563  -0.247
   20    HD1  TRP   2           HD1      TRP   2 -16.412  -2.391  -1.638
   21    HE1  TRP   2           HE1      TRP   2 -16.419  -1.230  -3.935
   22    HE3  TRP   2           HE3      TRP   2 -11.387  -1.602  -2.169
   23    HZ2  TRP   2           HZ2      TRP   2 -14.545  -0.128  -5.734
   24    HZ3  TRP   2           HZ3      TRP   2 -10.578  -0.488  -4.207
   25    HH2  TRP   2           HH2      TRP   2 -12.125   0.233  -5.952
   26    H    ALA   3           HN       ALA   3 -13.831   0.674   1.494
   27    HA   ALA   3           HA       ALA   3 -11.450   1.492   0.085
   28   1HB   ALA   3          HB1       ALA   3 -12.997   3.195   0.098
   29   2HB   ALA   3          HB2       ALA   3 -11.960   3.665   1.446
   30   3HB   ALA   3          HB3       ALA   3 -13.503   2.868   1.756
   31    H    SER   4           HN       SER   4 -11.186  -0.550   2.197
   32    HA   SER   4           HA       SER   4  -9.320   0.899   3.954
   33   1HB   SER   4          HB2       SER   4  -9.759  -1.083   5.552
   34   2HB   SER   4          HB1       SER   4 -10.986   0.177   5.430
   35    HG   SER   4           HG       SER   4 -12.081  -1.193   3.922
   36    H    LEU   5           HN       LEU   5  -8.826  -0.356   1.346
   37    HA   LEU   5           HA       LEU   5  -6.781  -2.276   2.227
   38   1HB   LEU   5          HB2       LEU   5  -7.130  -3.602   0.223
   39   2HB   LEU   5          HB1       LEU   5  -8.602  -3.511   1.170
   40    HG   LEU   5           HG       LEU   5  -9.052  -1.471  -0.525
   41   1HD1  LEU   5          HD11      LEU   5  -7.872  -1.503  -2.408
   42   2HD1  LEU   5          HD12      LEU   5  -8.080  -3.245  -2.590
   43   3HD1  LEU   5          HD13      LEU   5  -6.764  -2.612  -1.601
   44   1HD2  LEU   5          HD21      LEU   5 -10.690  -3.111  -0.251
   45   2HD2  LEU   5          HD22      LEU   5  -9.618  -4.404  -0.788
   46   3HD2  LEU   5          HD23      LEU   5 -10.245  -3.238  -1.953
   47    H    TRP   6           HN       TRP   6  -7.769   0.204  -0.044
   48    HA   TRP   6           HA       TRP   6  -5.466   0.207  -1.657
   49   1HB   TRP   6          HB2       TRP   6  -6.248   2.238  -2.557
   50   2HB   TRP   6          HB1       TRP   6  -7.707   1.374  -2.085
   51    HD1  TRP   6           HD1      TRP   6  -9.194   2.433  -0.172
   52    HE1  TRP   6           HE1      TRP   6  -9.187   4.731   0.986
   53    HE3  TRP   6           HE3      TRP   6  -4.628   4.121  -1.738
   54    HZ2  TRP   6           HZ2      TRP   6  -7.474   6.965   1.207
   55    HZ3  TRP   6           HZ3      TRP   6  -3.878   6.346  -1.006
   56    HH2  TRP   6           HH2      TRP   6  -5.274   7.739   0.435
   57    H    ASN   7           HN       ASN   7  -6.093   1.536   1.499
   58    HA   ASN   7           HA       ASN   7  -4.169   3.516   1.671
   59   1HB   ASN   7          HB2       ASN   7  -4.803   1.591   3.901
   60   2HB   ASN   7          HB1       ASN   7  -4.254   3.257   4.047
   61   1HD2  ASN   7          HD21      ASN   7  -6.910   1.170   3.286
   62   2HD2  ASN   7          HD22      ASN   7  -8.152   2.369   3.393
   63    H    TRP   8           HN       TRP   8  -3.798   0.130   2.592
   64    HA   TRP   8           HA       TRP   8  -0.929   0.433   2.776
   65   1HB   TRP   8          HB2       TRP   8  -0.950  -1.439   4.043
   66   2HB   TRP   8          HB1       TRP   8  -2.667  -1.077   4.176
   67    HD1  TRP   8           HD1      TRP   8  -4.359  -2.650   2.834
   68    HE1  TRP   8           HE1      TRP   8  -4.075  -5.006   1.822
   69    HE3  TRP   8           HE3      TRP   8   0.727  -2.926   2.882
   70    HZ2  TRP   8           HZ2      TRP   8  -1.953  -6.749   1.135
   71    HZ3  TRP   8           HZ3      TRP   8   1.815  -4.952   2.034
   72    HH2  TRP   8           HH2      TRP   8   0.504  -6.832   1.177
   73    H    PHE   9           HN       PHE   9  -3.223  -0.624   0.438
   74    HA   PHE   9           HA       PHE   9  -1.602  -2.403  -1.035
   75   1HB   PHE   9          HB2       PHE   9  -4.142  -1.948  -1.239
   76   2HB   PHE   9          HB1       PHE   9  -3.673  -0.632  -2.310
   77    HD1  PHE   9           HD1      PHE   9  -3.019  -1.043  -4.538
   78    HD2  PHE   9           HD2      PHE   9  -3.536  -4.290  -1.836
   79    HE1  PHE   9           HE1      PHE   9  -2.871  -2.626  -6.417
   80    HE2  PHE   9           HE2      PHE   9  -3.388  -5.878  -3.709
   81    HZ   PHE   9           HZ       PHE   9  -3.056  -5.046  -6.003
   82    H    ASN  10           HN       ASN  10  -1.736   1.064  -0.867
   83    HA   ASN  10           HA       ASN  10  -0.045   1.350  -3.222
   84   1HB   ASN  10          HB2       ASN  10  -0.419   3.693  -3.072
   85   2HB   ASN  10          HB1       ASN  10  -1.967   2.928  -2.728
   86   1HD2  ASN  10          HD21      ASN  10   0.878   4.348  -1.196
   87   2HD2  ASN  10          HD22      ASN  10   0.053   4.922   0.210
   88    H    ILE  11           HN       ILE  11   0.333   0.767   0.030
   89    HA   ILE  11           HA       ILE  11   2.726   2.322   0.447
   90    HB   ILE  11           HB       ILE  11   1.671   0.035   2.115
   91   1HG1  ILE  11          HG12      ILE  11   1.180   3.015   2.337
   92   2HG1  ILE  11          HG11      ILE  11  -0.016   1.785   1.941
   93   1HG2  ILE  11          HG21      ILE  11   3.015   1.788   3.758
   94   2HG2  ILE  11          HG22      ILE  11   4.000   1.770   2.296
   95   3HG2  ILE  11          HG23      ILE  11   3.643   0.262   3.137
   96   1HD1  ILE  11          HD11      ILE  11   0.935   2.689   4.521
   97   2HD1  ILE  11          HD12      ILE  11   1.009   0.935   4.355
   98   3HD1  ILE  11          HD13      ILE  11  -0.518   1.781   4.101
   99    H    THR  12           HN       THR  12   1.901  -0.907  -0.587
  100    HA   THR  12           HA       THR  12   4.416  -2.131  -0.222
  101    HB   THR  12           HB       THR  12   3.367  -3.409  -2.423
  102    HG1  THR  12           HG1      THR  12   1.152  -2.629  -0.818
  103   1HG2  THR  12          HG21      THR  12   3.530  -5.050  -0.927
  104   2HG2  THR  12          HG22      THR  12   2.077  -4.459  -0.121
  105   3HG2  THR  12          HG23      THR  12   3.663  -3.864   0.371
  106    H    ASN  13           HN       ASN  13   3.606   0.423  -2.180
  107    HA   ASN  13           HA       ASN  13   5.326  -0.274  -4.409
  108   1HB   ASN  13          HB2       ASN  13   3.757   2.228  -3.772
  109   2HB   ASN  13          HB1       ASN  13   4.738   2.025  -5.220
  110   1HD2  ASN  13          HD21      ASN  13   1.904   0.935  -3.503
  111   2HD2  ASN  13          HD22      ASN  13   1.126   0.197  -4.858
  112    H    TRP  14           HN       TRP  14   5.299   2.213  -1.842
  113    HA   TRP  14           HA       TRP  14   8.041   2.920  -2.514
  114   1HB   TRP  14          HB2       TRP  14   7.656   4.527  -0.474
  115   2HB   TRP  14          HB1       TRP  14   6.939   4.884  -2.039
  116    HD1  TRP  14           HD1      TRP  14   4.253   4.062  -2.259
  117    HE1  TRP  14           HE1      TRP  14   2.399   4.260  -0.494
  118    HE3  TRP  14           HE3      TRP  14   7.161   4.570   1.913
  119    HZ2  TRP  14           HZ2      TRP  14   2.190   4.595   2.302
  120    HZ3  TRP  14           HZ3      TRP  14   6.054   4.827   4.096
  121    HH2  TRP  14           HH2      TRP  14   3.620   4.840   4.285
  122    H    LEU  15           HN       LEU  15   6.246   1.417   0.135
  123    HA   LEU  15           HA       LEU  15   8.350   1.256   1.972
  124   1HB   LEU  15          HB2       LEU  15   6.931   0.051   3.244
  125   2HB   LEU  15          HB1       LEU  15   5.752   0.561   2.055
  126    HG   LEU  15           HG       LEU  15   6.444  -1.675   0.861
  127   1HD1  LEU  15          HD11      LEU  15   6.683  -2.863   3.507
  128   2HD1  LEU  15          HD12      LEU  15   8.066  -1.856   3.072
  129   3HD1  LEU  15          HD13      LEU  15   7.587  -3.196   2.029
  130   1HD2  LEU  15          HD21      LEU  15   4.619  -2.800   2.015
  131   2HD2  LEU  15          HD22      LEU  15   4.211  -1.115   1.691
  132   3HD2  LEU  15          HD23      LEU  15   4.694  -1.609   3.314
  133    H    TRP  16           HN       TRP  16   7.540  -0.692  -0.822
  134    HA   TRP  16           HA       TRP  16   9.306  -2.848  -0.330
  135   1HB   TRP  16          HB2       TRP  16   7.530  -2.046  -2.404
  136   2HB   TRP  16          HB1       TRP  16   9.102  -2.322  -3.143
  137    HD1  TRP  16           HD1      TRP  16   9.251  -4.691  -4.065
  138    HE1  TRP  16           HE1      TRP  16   8.404  -7.016  -3.355
  139    HE3  TRP  16           HE3      TRP  16   6.754  -3.378   0.196
  140    HZ2  TRP  16           HZ2      TRP  16   6.878  -8.143  -1.263
  141    HZ3  TRP  16           HZ3      TRP  16   5.627  -5.137   1.494
  142    HH2  TRP  16           HH2      TRP  16   5.688  -7.470   0.778
  143    H    TYR  17           HN       TYR  17   9.648   0.329  -1.711
  144    HA   TYR  17           HA       TYR  17  12.281  -0.029  -2.748
  145   1HB   TYR  17          HB2       TYR  17  11.413   1.785  -3.805
  146   2HB   TYR  17          HB1       TYR  17  10.328   2.164  -2.472
  147    HD1  TYR  17           HD1      TYR  17  10.846   3.887  -0.946
  148    HD2  TYR  17           HD2      TYR  17  13.825   2.526  -3.663
  149    HE1  TYR  17           HE1      TYR  17  12.279   5.784  -0.318
  150    HE2  TYR  17           HE2      TYR  17  15.266   4.419  -3.040
  151    HH   TYR  17           HH       TYR  17  14.737   6.322  -0.335
  152    H    ILE  18           HN       ILE  18  10.898   0.943   0.304
  153    HA   ILE  18           HA       ILE  18  13.334   1.938   1.439
  154    HB   ILE  18           HB       ILE  18  10.837   1.028   2.879
  155   1HG1  ILE  18          HG12      ILE  18  11.502   3.874   2.165
  156   2HG1  ILE  18          HG11      ILE  18  10.619   2.844   1.043
  157   1HG2  ILE  18          HG21      ILE  18  12.145   3.186   4.162
  158   2HG2  ILE  18          HG22      ILE  18  13.363   1.963   3.800
  159   3HG2  ILE  18          HG23      ILE  18  11.934   1.533   4.740
  160   1HD1  ILE  18          HD11      ILE  18   9.280   2.522   3.438
  161   2HD1  ILE  18          HD12      ILE  18   8.780   3.523   2.074
  162   3HD1  ILE  18          HD13      ILE  18   9.698   4.235   3.401
  163    H    LYS  19           HN       LYS  19  11.803  -1.156   1.141
  164    HA   LYS  19           HA       LYS  19  13.292  -2.440   3.231
  165   1HB   LYS  19          HB2       LYS  19  11.536  -3.442   1.000
  166   2HB   LYS  19          HB1       LYS  19  12.421  -4.546   2.043
  167   1HG   LYS  19          HG2       LYS  19  10.842  -2.503   3.442
  168   2HG   LYS  19          HG1       LYS  19   9.911  -3.682   2.516
  169   1HD   LYS  19          HD2       LYS  19  10.969  -5.504   3.699
  170   2HD   LYS  19          HD1       LYS  19  12.029  -4.379   4.549
  171   1HE   LYS  19          HE2       LYS  19   9.683  -3.323   5.237
  172   2HE   LYS  19          HE1       LYS  19   9.156  -4.985   4.972
  173   1HZ   LYS  19          HZ1       LYS  19  11.291  -4.081   6.838
  174   2HZ   LYS  19          HZ2       LYS  19  10.926  -5.702   6.520
  175   3HZ   LYS  19          HZ3       LYS  19   9.776  -4.708   7.263
  176   1HN   NH2  20          HN1       LYS  19  13.700  -2.660  -0.455
  177   2HN   NH2  20          HN2       LYS  19  14.687  -4.049  -0.167
  Start of MODEL   20
    1   1H    LYS   1          HT1       LYS   1  17.018  -1.644   4.305
    2   2H    LYS   1          HT2       LYS   1  16.566  -0.044   4.618
    3   3H    LYS   1          HT3       LYS   1  18.116  -0.385   4.034
    4    HA   LYS   1           HA       LYS   1  17.395  -0.079   1.988
    5   1HB   LYS   1          HB2       LYS   1  16.642  -2.659   2.766
    6   2HB   LYS   1          HB1       LYS   1  15.238  -2.019   1.923
    7   1HG   LYS   1          HG2       LYS   1  17.913  -1.699   0.666
    8   2HG   LYS   1          HG1       LYS   1  17.143  -3.288   0.640
    9   1HD   LYS   1          HD2       LYS   1  15.438  -0.999  -0.114
   10   2HD   LYS   1          HD1       LYS   1  16.737  -1.405  -1.238
   11   1HE   LYS   1          HE2       LYS   1  15.345  -3.766  -0.309
   12   2HE   LYS   1          HE1       LYS   1  14.241  -2.614  -1.061
   13   1HZ   LYS   1          HZ1       LYS   1  15.840  -2.542  -2.964
   14   2HZ   LYS   1          HZ2       LYS   1  15.046  -4.022  -2.761
   15   3HZ   LYS   1          HZ3       LYS   1  16.653  -3.849  -2.262
   16    H    TRP   2           HN       TRP   2  15.557   0.529   0.544
   17    HA   TRP   2           HA       TRP   2  13.671   2.167   2.046
   18   1HB   TRP   2          HB2       TRP   2  13.192   3.214  -0.156
   19   2HB   TRP   2          HB1       TRP   2  14.894   3.293   0.285
   20    HD1  TRP   2           HD1      TRP   2  16.602   1.770  -1.130
   21    HE1  TRP   2           HE1      TRP   2  16.413   0.735  -3.478
   22    HE3  TRP   2           HE3      TRP   2  11.547   2.175  -1.798
   23    HZ2  TRP   2           HZ2      TRP   2  14.392   0.168  -5.363
   24    HZ3  TRP   2           HZ3      TRP   2  10.567   1.362  -3.902
   25    HH2  TRP   2           HH2      TRP   2  11.962   0.380  -5.648
   26    H    ALA   3           HN       ALA   3  13.530  -0.869   1.468
   27    HA   ALA   3           HA       ALA   3  11.157  -1.162  -0.122
   28   1HB   ALA   3          HB1       ALA   3  13.034  -2.940   1.260
   29   2HB   ALA   3          HB2       ALA   3  12.205  -3.138  -0.285
   30   3HB   ALA   3          HB3       ALA   3  11.367  -3.515   1.220
   31    H    SER   4           HN       SER   4  11.173   0.530   2.400
   32    HA   SER   4           HA       SER   4   9.013  -0.835   3.853
   33   1HB   SER   4          HB2       SER   4   9.713   1.408   5.340
   34   2HB   SER   4          HB1       SER   4  10.221  -0.251   5.657
   35    HG   SER   4           HG       SER   4  11.596   1.681   4.096
   36    H    LEU   5           HN       LEU   5   8.898   0.755   1.293
   37    HA   LEU   5           HA       LEU   5   6.828   2.654   2.175
   38   1HB   LEU   5          HB2       LEU   5   7.427   4.068   0.217
   39   2HB   LEU   5          HB1       LEU   5   8.670   3.985   1.450
   40    HG   LEU   5           HG       LEU   5   9.557   2.028  -0.143
   41   1HD1  LEU   5          HD11      LEU   5   9.257   3.285  -2.495
   42   2HD1  LEU   5          HD12      LEU   5   7.682   3.619  -1.774
   43   3HD1  LEU   5          HD13      LEU   5   8.229   1.953  -1.967
   44   1HD2  LEU   5          HD21      LEU   5   9.998   4.986  -0.221
   45   2HD2  LEU   5          HD22      LEU   5  10.879   3.918  -1.314
   46   3HD2  LEU   5          HD23      LEU   5  11.036   3.718   0.431
   47    H    TRP   6           HN       TRP   6   7.597  -0.061   0.359
   48    HA   TRP   6           HA       TRP   6   5.424   0.333  -1.551
   49   1HB   TRP   6          HB2       TRP   6   6.353  -1.337  -2.845
   50   2HB   TRP   6          HB1       TRP   6   7.790  -0.701  -2.057
   51    HD1  TRP   6           HD1      TRP   6   9.107  -2.308  -0.440
   52    HE1  TRP   6           HE1      TRP   6   8.915  -4.819   0.095
   53    HE3  TRP   6           HE3      TRP   6   4.565  -3.252  -2.588
   54    HZ2  TRP   6           HZ2      TRP   6   7.080  -6.921  -0.337
   55    HZ3  TRP   6           HZ3      TRP   6   3.661  -5.536  -2.482
   56    HH2  TRP   6           HH2      TRP   6   4.895  -7.334  -1.382
   57    H    ASN   7           HN       ASN   7   6.192  -1.385   1.356
   58    HA   ASN   7           HA       ASN   7   4.370  -3.473   1.301
   59   1HB   ASN   7          HB2       ASN   7   4.445  -3.399   3.756
   60   2HB   ASN   7          HB1       ASN   7   6.053  -3.222   3.063
   61   1HD2  ASN   7          HD21      ASN   7   7.073  -1.210   3.147
   62   2HD2  ASN   7          HD22      ASN   7   6.564   0.022   4.246
   63    H    TRP   8           HN       TRP   8   3.864  -0.088   1.813
   64    HA   TRP   8           HA       TRP   8   1.034  -0.548   2.446
   65   1HB   TRP   8          HB2       TRP   8   1.015   1.420   3.606
   66   2HB   TRP   8          HB1       TRP   8   2.717   1.011   3.787
   67    HD1  TRP   8           HD1      TRP   8   4.482   2.522   2.504
   68    HE1  TRP   8           HE1      TRP   8   4.287   4.840   1.381
   69    HE3  TRP   8           HE3      TRP   8  -0.592   2.866   2.273
   70    HZ2  TRP   8           HZ2      TRP   8   2.226   6.580   0.512
   71    HZ3  TRP   8           HZ3      TRP   8  -1.605   4.862   1.288
   72    HH2  TRP   8           HH2      TRP   8  -0.229   6.692   0.423
   73    H    PHE   9           HN       PHE   9   3.175   0.629   0.006
   74    HA   PHE   9           HA       PHE   9   1.342   2.238  -1.431
   75   1HB   PHE   9          HB2       PHE   9   4.021   1.662  -1.663
   76   2HB   PHE   9          HB1       PHE   9   3.342   0.828  -3.057
   77    HD1  PHE   9           HD1      PHE   9   2.229   2.075  -4.832
   78    HD2  PHE   9           HD2      PHE   9   4.021   4.055  -1.518
   79    HE1  PHE   9           HE1      PHE   9   2.148   4.204  -6.064
   80    HE2  PHE   9           HE2      PHE   9   3.942   6.187  -2.744
   81    HZ   PHE   9           HZ       PHE   9   3.004   6.264  -5.020
   82    H    ASN  10           HN       ASN  10   1.789  -1.164  -1.142
   83    HA   ASN  10           HA       ASN  10   0.178  -1.754  -3.497
   84   1HB   ASN  10          HB2       ASN  10   0.668  -4.070  -3.068
   85   2HB   ASN  10          HB1       ASN  10   2.166  -3.166  -2.871
   86   1HD2  ASN  10          HD21      ASN  10  -0.458  -4.749  -1.173
   87   2HD2  ASN  10          HD22      ASN  10   0.403  -5.011   0.301
   88    H    ILE  11           HN       ILE  11  -0.316  -0.863  -0.359
   89    HA   ILE  11           HA       ILE  11  -2.645  -2.507   0.164
   90    HB   ILE  11           HB       ILE  11  -1.598  -0.137   1.719
   91   1HG1  ILE  11          HG12      ILE  11  -1.103  -3.105   2.030
   92   2HG1  ILE  11          HG11      ILE  11   0.091  -1.861   1.671
   93   1HG2  ILE  11          HG21      ILE  11  -3.007  -1.962   3.349
   94   2HG2  ILE  11          HG22      ILE  11  -4.004  -1.656   1.927
   95   3HG2  ILE  11          HG23      ILE  11  -3.454  -0.310   2.923
   96   1HD1  ILE  11          HD11      ILE  11  -1.281  -2.475   4.251
   97   2HD1  ILE  11          HD12      ILE  11  -0.611  -0.871   3.953
   98   3HD1  ILE  11          HD13      ILE  11   0.439  -2.287   3.911
   99    H    THR  12           HN       THR  12  -1.890   0.630  -1.122
  100    HA   THR  12           HA       THR  12  -4.388   1.888  -0.748
  101    HB   THR  12           HB       THR  12  -3.557   3.111  -2.975
  102    HG1  THR  12           HG1      THR  12  -1.028   2.865  -2.297
  103   1HG2  THR  12          HG21      THR  12  -1.745   4.005  -0.983
  104   2HG2  THR  12          HG22      THR  12  -3.225   3.494  -0.171
  105   3HG2  THR  12          HG23      THR  12  -3.294   4.709  -1.447
  106    H    ASN  13           HN       ASN  13  -3.736  -0.851  -2.458
  107    HA   ASN  13           HA       ASN  13  -5.508  -0.318  -4.697
  108   1HB   ASN  13          HB2       ASN  13  -3.942  -2.766  -3.872
  109   2HB   ASN  13          HB1       ASN  13  -5.010  -2.726  -5.271
  110   1HD2  ASN  13          HD21      ASN  13  -1.923  -2.050  -4.077
  111   2HD2  ASN  13          HD22      ASN  13  -1.285  -1.266  -5.478
  112    H    TRP  14           HN       TRP  14  -5.463  -2.327  -1.772
  113    HA   TRP  14           HA       TRP  14  -8.251  -3.072  -2.277
  114   1HB   TRP  14          HB2       TRP  14  -7.789  -4.544  -0.163
  115   2HB   TRP  14          HB1       TRP  14  -7.169  -5.036  -1.734
  116    HD1  TRP  14           HD1      TRP  14  -4.474  -4.269  -2.152
  117    HE1  TRP  14           HE1      TRP  14  -2.534  -4.426  -0.478
  118    HE3  TRP  14           HE3      TRP  14  -7.168  -4.486   2.181
  119    HZ2  TRP  14           HZ2      TRP  14  -2.187  -4.625   2.319
  120    HZ3  TRP  14           HZ3      TRP  14  -5.958  -4.662   4.315
  121    HH2  TRP  14           HH2      TRP  14  -3.518  -4.730   4.381
  122    H    LEU  15           HN       LEU  15  -6.200  -1.482   0.120
  123    HA   LEU  15           HA       LEU  15  -8.142  -1.068   2.087
  124   1HB   LEU  15          HB2       LEU  15  -6.566   0.159   3.139
  125   2HB   LEU  15          HB1       LEU  15  -5.515  -0.494   1.900
  126    HG   LEU  15           HG       LEU  15  -6.239   1.681   0.598
  127   1HD1  LEU  15          HD11      LEU  15  -6.120   3.137   3.081
  128   2HD1  LEU  15          HD12      LEU  15  -7.537   2.086   3.030
  129   3HD1  LEU  15          HD13      LEU  15  -7.272   3.273   1.752
  130   1HD2  LEU  15          HD21      LEU  15  -3.957   1.086   1.211
  131   2HD2  LEU  15          HD22      LEU  15  -4.237   1.670   2.851
  132   3HD2  LEU  15          HD23      LEU  15  -4.260   2.800   1.497
  133    H    TRP  16           HN       TRP  16  -7.457   0.593  -0.908
  134    HA   TRP  16           HA       TRP  16  -9.082   2.873  -0.492
  135   1HB   TRP  16          HB2       TRP  16  -7.462   1.825  -2.577
  136   2HB   TRP  16          HB1       TRP  16  -9.060   2.104  -3.260
  137    HD1  TRP  16           HD1      TRP  16  -9.191   4.394  -4.357
  138    HE1  TRP  16           HE1      TRP  16  -8.213   6.731  -3.902
  139    HE3  TRP  16           HE3      TRP  16  -6.460   3.330  -0.169
  140    HZ2  TRP  16           HZ2      TRP  16  -6.508   7.960  -2.018
  141    HZ3  TRP  16           HZ3      TRP  16  -5.182   5.143   0.899
  142    HH2  TRP  16           HH2      TRP  16  -5.207   7.409  -0.009
  143    H    TYR  17           HN       TYR  17  -9.679  -0.394  -1.483
  144    HA   TYR  17           HA       TYR  17 -12.361   0.055  -2.406
  145   1HB   TYR  17          HB2       TYR  17 -11.739  -1.856  -3.437
  146   2HB   TYR  17          HB1       TYR  17 -10.463  -2.170  -2.267
  147    HD1  TYR  17           HD1      TYR  17 -10.806  -3.689  -0.447
  148    HD2  TYR  17           HD2      TYR  17 -14.033  -2.692  -3.035
  149    HE1  TYR  17           HE1      TYR  17 -12.120  -5.545   0.487
  150    HE2  TYR  17           HE2      TYR  17 -15.357  -4.544  -2.105
  151    HH   TYR  17           HH       TYR  17 -15.424  -5.875   0.025
  152    H    ILE  18           HN       ILE  18 -10.800  -0.607   0.599
  153    HA   ILE  18           HA       ILE  18 -13.141  -1.572   1.964
  154    HB   ILE  18           HB       ILE  18 -10.540  -0.557   3.122
  155   1HG1  ILE  18          HG12      ILE  18 -11.358  -3.431   2.703
  156   2HG1  ILE  18          HG11      ILE  18 -10.428  -2.532   1.508
  157   1HG2  ILE  18          HG21      ILE  18 -13.010  -1.424   4.324
  158   2HG2  ILE  18          HG22      ILE  18 -11.570  -0.743   5.081
  159   3HG2  ILE  18          HG23      ILE  18 -11.678  -2.479   4.794
  160   1HD1  ILE  18          HD11      ILE  18  -9.627  -3.387   4.259
  161   2HD1  ILE  18          HD12      ILE  18  -8.786  -2.082   3.422
  162   3HD1  ILE  18          HD13      ILE  18  -8.829  -3.698   2.718
  163    H    LYS  19           HN       LYS  19 -11.275   1.454   1.978
  164    HA   LYS  19           HA       LYS  19 -12.919   2.819   3.816
  165   1HB   LYS  19          HB2       LYS  19 -10.694   3.465   2.031
  166   2HB   LYS  19          HB1       LYS  19 -11.823   4.797   2.236
  167   1HG   LYS  19          HG2       LYS  19 -10.205   5.104   3.896
  168   2HG   LYS  19          HG1       LYS  19 -11.592   4.408   4.736
  169   1HD   LYS  19          HD2       LYS  19 -10.548   2.387   5.069
  170   2HD   LYS  19          HD1       LYS  19  -9.496   2.579   3.665
  171   1HE   LYS  19          HE2       LYS  19  -7.937   3.001   5.242
  172   2HE   LYS  19          HE1       LYS  19  -8.623   4.625   5.170
  173   1HZ   LYS  19          HZ1       LYS  19  -9.215   2.504   7.163
  174   2HZ   LYS  19          HZ2       LYS  19 -10.137   3.914   7.017
  175   3HZ   LYS  19          HZ3       LYS  19  -8.502   4.014   7.445
  176   1HN   NH2  20          HN1       LYS  19 -13.363   2.414   0.249
  177   2HN   NH2  20          HN2       LYS  19 -14.086   3.973   0.076
  Start of MODEL   21
    1   1H    LYS   1          HT1       LYS   1  16.174  -1.296   5.514
    2   2H    LYS   1          HT2       LYS   1  15.685   0.322   5.487
    3   3H    LYS   1          HT3       LYS   1  17.322  -0.068   5.319
    4    HA   LYS   1           HA       LYS   1  17.126  -0.197   3.144
    5   1HB   LYS   1          HB2       LYS   1  15.443  -2.381   4.127
    6   2HB   LYS   1          HB1       LYS   1  14.997  -1.842   2.514
    7   1HG   LYS   1          HG2       LYS   1  17.824  -2.528   3.253
    8   2HG   LYS   1          HG1       LYS   1  16.673  -3.731   2.668
    9   1HD   LYS   1          HD2       LYS   1  16.603  -1.439   0.957
   10   2HD   LYS   1          HD1       LYS   1  18.274  -1.973   1.150
   11   1HE   LYS   1          HE2       LYS   1  17.324  -3.113  -0.733
   12   2HE   LYS   1          HE1       LYS   1  17.542  -4.277   0.574
   13   1HZ   LYS   1          HZ1       LYS   1  15.144  -3.460  -0.740
   14   2HZ   LYS   1          HZ2       LYS   1  15.016  -3.299   0.939
   15   3HZ   LYS   1          HZ3       LYS   1  15.419  -4.796   0.263
   16    H    TRP   2           HN       TRP   2  15.906   0.527   1.287
   17    HA   TRP   2           HA       TRP   2  13.971   2.551   2.008
   18   1HB   TRP   2          HB2       TRP   2  14.165   3.287  -0.304
   19   2HB   TRP   2          HB1       TRP   2  15.768   3.026   0.375
   20    HD1  TRP   2           HD1      TRP   2  17.188   0.960  -0.584
   21    HE1  TRP   2           HE1      TRP   2  16.989  -0.386  -2.769
   22    HE3  TRP   2           HE3      TRP   2  12.479   2.376  -1.988
   23    HZ2  TRP   2           HZ2      TRP   2  15.087  -0.794  -4.815
   24    HZ3  TRP   2           HZ3      TRP   2  11.545   1.462  -4.071
   25    HH2  TRP   2           HH2      TRP   2  12.824  -0.091  -5.455
   26    H    ALA   3           HN       ALA   3  13.681  -0.637   1.529
   27    HA   ALA   3           HA       ALA   3  11.449  -0.728  -0.274
   28   1HB   ALA   3          HB1       ALA   3  13.236  -2.581   0.645
   29   2HB   ALA   3          HB2       ALA   3  11.753  -2.944  -0.237
   30   3HB   ALA   3          HB3       ALA   3  11.769  -3.008   1.525
   31    H    SER   4           HN       SER   4  11.322   0.962   2.225
   32    HA   SER   4           HA       SER   4   9.032  -0.292   3.563
   33   1HB   SER   4          HB2       SER   4   9.410   1.773   5.137
   34   2HB   SER   4          HB1       SER   4  10.488   0.382   5.243
   35    HG   SER   4           HG       SER   4  10.959   2.932   4.192
   36    H    LEU   5           HN       LEU   5   8.804   0.850   0.912
   37    HA   LEU   5           HA       LEU   5   6.814   2.926   1.517
   38   1HB   LEU   5          HB2       LEU   5   7.433   4.151  -0.493
   39   2HB   LEU   5          HB1       LEU   5   8.782   4.040   0.621
   40    HG   LEU   5           HG       LEU   5   9.306   1.904  -0.947
   41   1HD1  LEU   5          HD11      LEU   5   8.990   3.064  -3.311
   42   2HD1  LEU   5          HD12      LEU   5   7.573   3.738  -2.506
   43   3HD1  LEU   5          HD13      LEU   5   7.772   1.990  -2.624
   44   1HD2  LEU   5          HD21      LEU   5  11.035   3.383  -0.562
   45   2HD2  LEU   5          HD22      LEU   5  10.104   4.779  -1.106
   46   3HD2  LEU   5          HD23      LEU   5  10.731   3.623  -2.282
   47    H    TRP   6           HN       TRP   6   7.692   0.083  -0.187
   48    HA   TRP   6           HA       TRP   6   5.441   0.253  -2.018
   49   1HB   TRP   6          HB2       TRP   6   6.363  -1.534  -3.171
   50   2HB   TRP   6          HB1       TRP   6   7.798  -0.758  -2.515
   51    HD1  TRP   6           HD1      TRP   6   9.242  -2.125  -0.789
   52    HE1  TRP   6           HE1      TRP   6   9.182  -4.567   0.021
   53    HE3  TRP   6           HE3      TRP   6   4.680  -3.486  -2.650
   54    HZ2  TRP   6           HZ2      TRP   6   7.431  -6.779  -0.111
   55    HZ3  TRP   6           HZ3      TRP   6   3.884  -5.781  -2.263
   56    HH2  TRP   6           HH2      TRP   6   5.234  -7.394  -1.022
   57    H    ASN   7           HN       ASN   7   6.288  -1.251   0.992
   58    HA   ASN   7           HA       ASN   7   4.523  -3.374   1.106
   59   1HB   ASN   7          HB2       ASN   7   4.583  -3.088   3.565
   60   2HB   ASN   7          HB1       ASN   7   6.184  -3.007   2.835
   61   1HD2  ASN   7          HD21      ASN   7   7.306  -1.090   2.856
   62   2HD2  ASN   7          HD22      ASN   7   6.815   0.273   3.796
   63    H    TRP   8           HN       TRP   8   3.911   0.027   1.538
   64    HA   TRP   8           HA       TRP   8   1.094  -0.521   2.152
   65   1HB   TRP   8          HB2       TRP   8   1.019   1.430   3.316
   66   2HB   TRP   8          HB1       TRP   8   2.750   1.140   3.439
   67    HD1  TRP   8           HD1      TRP   8   4.361   2.726   2.019
   68    HE1  TRP   8           HE1      TRP   8   3.971   5.023   0.911
   69    HE3  TRP   8           HE3      TRP   8  -0.730   2.792   2.116
   70    HZ2  TRP   8           HZ2      TRP   8   1.765   6.644   0.174
   71    HZ3  TRP   8           HZ3      TRP   8  -1.910   4.726   1.195
   72    HH2  TRP   8           HH2      TRP   8  -0.693   6.623   0.242
   73    H    PHE   9           HN       PHE   9   3.176   0.596  -0.337
   74    HA   PHE   9           HA       PHE   9   1.362   2.195  -1.796
   75   1HB   PHE   9          HB2       PHE   9   4.007   1.509  -2.064
   76   2HB   PHE   9          HB1       PHE   9   3.269   0.642  -3.405
   77    HD1  PHE   9           HD1      PHE   9   2.661   1.762  -5.365
   78    HD2  PHE   9           HD2      PHE   9   3.617   3.993  -1.869
   79    HE1  PHE   9           HE1      PHE   9   2.647   3.835  -6.689
   80    HE2  PHE   9           HE2      PHE   9   3.605   6.070  -3.186
   81    HZ   PHE   9           HZ       PHE   9   3.118   5.994  -5.600
   82    H    ASN  10           HN       ASN  10   1.641  -1.196  -1.339
   83    HA   ASN  10           HA       ASN  10  -0.040  -1.813  -3.641
   84   1HB   ASN  10          HB2       ASN  10   1.439  -3.549  -3.551
   85   2HB   ASN  10          HB1       ASN  10   1.719  -3.352  -1.824
   86   1HD2  ASN  10          HD21      ASN  10   0.417  -4.427  -0.365
   87   2HD2  ASN  10          HD22      ASN  10  -0.645  -5.706  -0.833
   88    H    ILE  11           HN       ILE  11  -0.275  -1.085  -0.365
   89    HA   ILE  11           HA       ILE  11  -2.668  -2.554   0.226
   90    HB   ILE  11           HB       ILE  11  -1.516  -0.184   1.702
   91   1HG1  ILE  11          HG12      ILE  11  -1.001  -3.148   2.026
   92   2HG1  ILE  11          HG11      ILE  11   0.167  -1.923   1.540
   93   1HG2  ILE  11          HG21      ILE  11  -2.840  -2.059   3.379
   94   2HG2  ILE  11          HG22      ILE  11  -3.914  -1.650   2.040
   95   3HG2  ILE  11          HG23      ILE  11  -3.255  -0.374   3.064
   96   1HD1  ILE  11          HD11      ILE  11  -0.483  -0.886   3.877
   97   2HD1  ILE  11          HD12      ILE  11   0.728  -2.159   3.727
   98   3HD1  ILE  11          HD13      ILE  11  -0.916  -2.560   4.225
   99    H    THR  12           HN       THR  12  -1.894   0.539  -1.142
  100    HA   THR  12           HA       THR  12  -4.313   1.898  -0.666
  101    HB   THR  12           HB       THR  12  -3.443   2.819  -3.139
  102    HG1  THR  12           HG1      THR  12  -1.239   1.925  -1.567
  103   1HG2  THR  12          HG21      THR  12  -2.980   3.622  -0.297
  104   2HG2  THR  12          HG22      THR  12  -3.927   4.424  -1.550
  105   3HG2  THR  12          HG23      THR  12  -2.166   4.500  -1.592
  106    H    ASN  13           HN       ASN  13  -3.799  -0.886  -2.410
  107    HA   ASN  13           HA       ASN  13  -5.740  -0.368  -4.499
  108   1HB   ASN  13          HB2       ASN  13  -3.890  -2.596  -3.812
  109   2HB   ASN  13          HB1       ASN  13  -5.329  -2.994  -4.746
  110   1HD2  ASN  13          HD21      ASN  13  -3.024  -0.294  -4.711
  111   2HD2  ASN  13          HD22      ASN  13  -2.682  -0.343  -6.404
  112    H    TRP  14           HN       TRP  14  -5.521  -2.482  -1.633
  113    HA   TRP  14           HA       TRP  14  -8.349  -3.131  -1.930
  114   1HB   TRP  14          HB2       TRP  14  -7.793  -4.563   0.193
  115   2HB   TRP  14          HB1       TRP  14  -7.276  -5.098  -1.400
  116    HD1  TRP  14           HD1      TRP  14  -4.595  -4.396  -1.993
  117    HE1  TRP  14           HE1      TRP  14  -2.564  -4.554  -0.431
  118    HE3  TRP  14           HE3      TRP  14  -7.035  -4.465   2.496
  119    HZ2  TRP  14           HZ2      TRP  14  -2.057  -4.702   2.344
  120    HZ3  TRP  14           HZ3      TRP  14  -5.703  -4.621   4.559
  121    HH2  TRP  14           HH2      TRP  14  -3.265  -4.737   4.483
  122    H    LEU  15           HN       LEU  15  -6.168  -1.564   0.383
  123    HA   LEU  15           HA       LEU  15  -7.997  -1.082   2.419
  124   1HB   LEU  15          HB2       LEU  15  -6.370   0.169   3.354
  125   2HB   LEU  15          HB1       LEU  15  -5.390  -0.499   2.067
  126    HG   LEU  15           HG       LEU  15  -6.179   1.642   0.767
  127   1HD1  LEU  15          HD11      LEU  15  -6.143   2.813   3.511
  128   2HD1  LEU  15          HD12      LEU  15  -7.654   2.192   2.842
  129   3HD1  LEU  15          HD13      LEU  15  -6.784   3.483   2.010
  130   1HD2  LEU  15          HD21      LEU  15  -4.192   2.829   1.642
  131   2HD2  LEU  15          HD22      LEU  15  -3.873   1.141   1.247
  132   3HD2  LEU  15          HD23      LEU  15  -4.081   1.628   2.929
  133    H    TRP  16           HN       TRP  16  -7.509   0.531  -0.642
  134    HA   TRP  16           HA       TRP  16  -9.119   2.808  -0.150
  135   1HB   TRP  16          HB2       TRP  16  -7.594   1.779  -2.298
  136   2HB   TRP  16          HB1       TRP  16  -9.232   1.981  -2.911
  137    HD1  TRP  16           HD1      TRP  16  -9.556   4.254  -4.006
  138    HE1  TRP  16           HE1      TRP  16  -8.626   6.631  -3.667
  139    HE3  TRP  16           HE3      TRP  16  -6.467   3.357  -0.034
  140    HZ2  TRP  16           HZ2      TRP  16  -6.819   7.949  -1.943
  141    HZ3  TRP  16           HZ3      TRP  16  -5.172   5.228   0.900
  142    HH2  TRP  16           HH2      TRP  16  -5.344   7.476  -0.036
  143    H    TYR  17           HN       TYR  17  -9.745  -0.435  -1.314
  144    HA   TYR  17           HA       TYR  17 -12.459  -0.035  -2.042
  145   1HB   TYR  17          HB2       TYR  17 -11.808  -1.977  -3.016
  146   2HB   TYR  17          HB1       TYR  17 -10.582  -2.291  -1.793
  147    HD1  TYR  17           HD1      TYR  17 -14.198  -2.611  -2.545
  148    HD2  TYR  17           HD2      TYR  17 -10.978  -3.829  -0.045
  149    HE1  TYR  17           HE1      TYR  17 -15.617  -4.377  -1.586
  150    HE2  TYR  17           HE2      TYR  17 -12.387  -5.597   0.921
  151    HH   TYR  17           HH       TYR  17 -15.581  -6.302  -0.353
  152    H    ILE  18           HN       ILE  18 -10.797  -0.735   0.930
  153    HA   ILE  18           HA       ILE  18 -13.113  -1.558   2.405
  154    HB   ILE  18           HB       ILE  18 -10.489  -0.537   3.502
  155   1HG1  ILE  18          HG12      ILE  18 -11.226  -3.427   3.039
  156   2HG1  ILE  18          HG11      ILE  18 -10.347  -2.481   1.842
  157   1HG2  ILE  18          HG21      ILE  18 -11.501  -2.493   5.174
  158   2HG2  ILE  18          HG22      ILE  18 -12.927  -1.574   4.688
  159   3HG2  ILE  18          HG23      ILE  18 -11.562  -0.750   5.444
  160   1HD1  ILE  18          HD11      ILE  18  -8.845  -2.007   4.023
  161   2HD1  ILE  18          HD12      ILE  18  -8.557  -3.328   2.891
  162   3HD1  ILE  18          HD13      ILE  18  -9.440  -3.626   4.388
  163    H    LYS  19           HN       LYS  19 -11.549   1.458   1.672
  164    HA   LYS  19           HA       LYS  19 -12.903   2.954   3.729
  165   1HB   LYS  19          HB2       LYS  19 -10.818   3.435   1.769
  166   2HB   LYS  19          HB1       LYS  19 -11.980   4.755   1.805
  167   1HG   LYS  19          HG2       LYS  19 -10.532   5.480   3.396
  168   2HG   LYS  19          HG1       LYS  19 -11.622   4.533   4.411
  169   1HD   LYS  19          HD2       LYS  19 -10.108   2.790   4.631
  170   2HD   LYS  19          HD1       LYS  19  -9.221   3.244   3.174
  171   1HE   LYS  19          HE2       LYS  19  -9.293   4.991   5.618
  172   2HE   LYS  19          HE1       LYS  19  -8.104   3.703   5.423
  173   1HZ   LYS  19          HZ1       LYS  19  -8.461   5.726   3.302
  174   2HZ   LYS  19          HZ2       LYS  19  -7.103   4.781   3.650
  175   3HZ   LYS  19          HZ3       LYS  19  -7.509   6.079   4.657
  176   1HN   NH2  20          HN1       LYS  19 -13.632   2.006   0.453
  177   2HN   NH2  20          HN2       LYS  19 -14.948   3.097   0.201
  Start of MODEL   22
    1   1H    LYS   1          HT1       LYS   1 -16.655   0.263   3.303
    2   2H    LYS   1          HT2       LYS   1 -18.237   0.393   2.720
    3   3H    LYS   1          HT3       LYS   1 -17.280   1.778   2.884
    4    HA   LYS   1           HA       LYS   1 -17.577   0.202   0.640
    5   1HB   LYS   1          HB2       LYS   1 -16.812   2.726   1.298
    6   2HB   LYS   1          HB1       LYS   1 -15.272   2.043   0.794
    7   1HG   LYS   1          HG2       LYS   1 -16.953   1.223  -1.202
    8   2HG   LYS   1          HG1       LYS   1 -17.590   2.818  -0.793
    9   1HD   LYS   1          HD2       LYS   1 -15.212   3.664  -0.958
   10   2HD   LYS   1          HD1       LYS   1 -14.800   2.102  -1.667
   11   1HE   LYS   1          HE2       LYS   1 -16.690   2.571  -3.330
   12   2HE   LYS   1          HE1       LYS   1 -16.620   4.233  -2.746
   13   1HZ   LYS   1          HZ1       LYS   1 -14.022   3.291  -3.358
   14   2HZ   LYS   1          HZ2       LYS   1 -14.854   4.613  -4.005
   15   3HZ   LYS   1          HZ3       LYS   1 -15.040   3.080  -4.693
   16    H    TRP   2           HN       TRP   2 -15.475  -0.196  -0.784
   17    HA   TRP   2           HA       TRP   2 -14.033  -2.309   0.591
   18   1HB   TRP   2          HB2       TRP   2 -13.121  -2.768  -1.725
   19   2HB   TRP   2          HB1       TRP   2 -14.866  -2.920  -1.557
   20    HD1  TRP   2           HD1      TRP   2 -16.379  -1.284  -2.958
   21    HE1  TRP   2           HE1      TRP   2 -15.882   0.405  -4.836
   22    HE3  TRP   2           HE3      TRP   2 -11.288  -1.051  -2.524
   23    HZ2  TRP   2           HZ2      TRP   2 -13.634   1.667  -5.982
   24    HZ3  TRP   2           HZ3      TRP   2 -10.040   0.420  -4.051
   25    HH2  TRP   2           HH2      TRP   2 -11.191   1.751  -5.744
   26    H    ALA   3           HN       ALA   3 -13.562   0.735   0.831
   27    HA   ALA   3           HA       ALA   3 -10.894   1.120  -0.150
   28   1HB   ALA   3          HB1       ALA   3 -11.254   3.275   0.304
   29   2HB   ALA   3          HB2       ALA   3 -11.754   2.934   1.961
   30   3HB   ALA   3          HB3       ALA   3 -12.917   2.794   0.643
   31    H    SER   4           HN       SER   4 -11.434  -1.136   1.762
   32    HA   SER   4           HA       SER   4  -9.702  -0.330   3.990
   33   1HB   SER   4          HB2       SER   4 -10.423  -2.777   4.738
   34   2HB   SER   4          HB1       SER   4 -11.473  -1.385   5.011
   35    HG   SER   4           HG       SER   4 -12.411  -1.960   2.895
   36    H    LEU   5           HN       LEU   5  -8.907  -0.996   1.160
   37    HA   LEU   5           HA       LEU   5  -6.966  -3.100   1.844
   38   1HB   LEU   5          HB2       LEU   5  -6.999  -3.844  -0.472
   39   2HB   LEU   5          HB1       LEU   5  -8.593  -3.959   0.248
   40    HG   LEU   5           HG       LEU   5  -8.811  -1.535  -0.898
   41   1HD1  LEU   5          HD11      LEU   5  -7.805  -2.049  -3.272
   42   2HD1  LEU   5          HD12      LEU   5  -6.636  -2.974  -2.329
   43   3HD1  LEU   5          HD13      LEU   5  -6.844  -1.248  -2.029
   44   1HD2  LEU   5          HD21      LEU   5 -10.128  -2.574  -2.562
   45   2HD2  LEU   5          HD22      LEU   5 -10.228  -3.618  -1.143
   46   3HD2  LEU   5          HD23      LEU   5  -9.180  -4.059  -2.491
   47    H    TRP   6           HN       TRP   6  -7.586  -0.037   0.296
   48    HA   TRP   6           HA       TRP   6  -5.045   0.275  -0.922
   49   1HB   TRP   6          HB2       TRP   6  -5.812   2.305  -1.629
   50   2HB   TRP   6          HB1       TRP   6  -7.357   1.591  -1.186
   51    HD1  TRP   6           HD1      TRP   6  -8.571   2.549   1.003
   52    HE1  TRP   6           HE1      TRP   6  -8.261   4.738   2.322
   53    HE3  TRP   6           HE3      TRP   6  -4.043   3.996  -0.878
   54    HZ2  TRP   6           HZ2      TRP   6  -6.347   6.804   2.538
   55    HZ3  TRP   6           HZ3      TRP   6  -3.040   6.090  -0.063
   56    HH2  TRP   6           HH2      TRP   6  -4.170   7.464   1.610
   57    H    ASN   7           HN       ASN   7  -6.175   0.705   2.316
   58    HA   ASN   7           HA       ASN   7  -4.387   2.581   3.311
   59   1HB   ASN   7          HB2       ASN   7  -4.776   0.436   5.211
   60   2HB   ASN   7          HB1       ASN   7  -5.366   2.093   5.266
   61   1HD2  ASN   7          HD21      ASN   7  -6.224  -1.106   5.050
   62   2HD2  ASN   7          HD22      ASN   7  -7.857  -0.913   4.522
   63    H    TRP   8           HN       TRP   8  -3.847  -0.689   2.363
   64    HA   TRP   8           HA       TRP   8  -1.051  -0.478   3.269
   65   1HB   TRP   8          HB2       TRP   8  -1.057  -2.596   4.107
   66   2HB   TRP   8          HB1       TRP   8  -2.770  -2.253   4.311
   67    HD1  TRP   8           HD1      TRP   8  -4.479  -3.570   2.758
   68    HE1  TRP   8           HE1      TRP   8  -4.212  -5.652   1.261
   69    HE3  TRP   8           HE3      TRP   8   0.613  -3.769   2.565
   70    HZ2  TRP   8           HZ2      TRP   8  -2.105  -7.176   0.145
   71    HZ3  TRP   8           HZ3      TRP   8   1.680  -5.552   1.268
   72    HH2  TRP   8           HH2      TRP   8   0.353  -7.228   0.081
   73    H    PHE   9           HN       PHE   9  -3.269  -1.263   0.733
   74    HA   PHE   9           HA       PHE   9  -1.476  -2.570  -1.018
   75   1HB   PHE   9          HB2       PHE   9  -4.085  -2.325  -1.119
   76   2HB   PHE   9          HB1       PHE   9  -3.724  -0.863  -2.032
   77    HD1  PHE   9           HD1      PHE   9  -2.648  -4.438  -1.947
   78    HD2  PHE   9           HD2      PHE   9  -3.695  -1.058  -4.310
   79    HE1  PHE   9           HE1      PHE   9  -2.380  -5.786  -3.986
   80    HE2  PHE   9           HE2      PHE   9  -3.430  -2.400  -6.355
   81    HZ   PHE   9           HZ       PHE   9  -2.772  -4.768  -6.194
   82    H    ASN  10           HN       ASN  10  -1.915   0.707  -0.103
   83    HA   ASN  10           HA       ASN  10  -0.500   1.753  -2.411
   84   1HB   ASN  10          HB2       ASN  10  -1.677   3.593  -1.920
   85   2HB   ASN  10          HB1       ASN  10  -2.299   2.818  -0.468
   86   1HD2  ASN  10          HD21      ASN  10  -0.857   2.907   1.449
   87   2HD2  ASN  10          HD22      ASN  10   0.048   4.356   1.706
   88    H    ILE  11           HN       ILE  11   0.191   0.530   0.660
   89    HA   ILE  11           HA       ILE  11   2.584   2.020   1.171
   90    HB   ILE  11           HB       ILE  11   1.841  -0.658   2.347
   91   1HG1  ILE  11          HG12      ILE  11   1.055   2.126   3.237
   92   2HG1  ILE  11          HG11      ILE  11  -0.031   0.860   2.671
   93   1HG2  ILE  11          HG21      ILE  11   4.141   0.848   2.593
   94   2HG2  ILE  11          HG22      ILE  11   3.602  -0.418   3.696
   95   3HG2  ILE  11          HG23      ILE  11   3.215   1.269   4.033
   96   1HD1  ILE  11          HD11      ILE  11   1.644   0.693   5.166
   97   2HD1  ILE  11          HD12      ILE  11   0.431  -0.466   4.623
   98   3HD1  ILE  11          HD13      ILE  11  -0.057   1.155   5.115
   99    H    THR  12           HN       THR  12   1.787  -0.972  -0.458
  100    HA   THR  12           HA       THR  12   4.387  -2.062  -0.605
  101    HB   THR  12           HB       THR  12   3.317  -3.114  -2.800
  102    HG1  THR  12           HG1      THR  12   1.155  -1.924  -1.401
  103   1HG2  THR  12          HG21      THR  12   3.452  -4.818  -1.363
  104   2HG2  THR  12          HG22      THR  12   1.834  -4.389  -0.806
  105   3HG2  THR  12          HG23      THR  12   3.251  -3.742   0.020
  106    H    ASN  13           HN       ASN  13   3.323   0.793  -1.851
  107    HA   ASN  13           HA       ASN  13   4.800   0.648  -4.356
  108   1HB   ASN  13          HB2       ASN  13   2.703   2.340  -3.260
  109   2HB   ASN  13          HB1       ASN  13   3.995   3.289  -3.988
  110   1HD2  ASN  13          HD21      ASN  13   2.217   0.297  -4.694
  111   2HD2  ASN  13          HD22      ASN  13   1.924   0.664  -6.357
  112    H    TRP  14           HN       TRP  14   4.920   2.442  -1.287
  113    HA   TRP  14           HA       TRP  14   7.532   3.514  -2.035
  114   1HB   TRP  14          HB2       TRP  14   7.231   4.664   0.306
  115   2HB   TRP  14          HB1       TRP  14   6.367   5.268  -1.100
  116    HD1  TRP  14           HD1      TRP  14   3.721   4.268  -1.291
  117    HE1  TRP  14           HE1      TRP  14   2.014   4.009   0.609
  118    HE3  TRP  14           HE3      TRP  14   6.930   4.273   2.683
  119    HZ2  TRP  14           HZ2      TRP  14   2.021   3.843   3.428
  120    HZ3  TRP  14           HZ3      TRP  14   5.999   4.064   4.951
  121    HH2  TRP  14           HH2      TRP  14   3.594   3.853   5.314
  122    H    LEU  15           HN       LEU  15   6.029   1.473   0.431
  123    HA   LEU  15           HA       LEU  15   8.276   1.055   2.030
  124   1HB   LEU  15          HB2       LEU  15   6.984  -0.414   3.146
  125   2HB   LEU  15          HB1       LEU  15   5.708   0.226   2.134
  126    HG   LEU  15           HG       LEU  15   6.442  -1.726   0.526
  127   1HD1  LEU  15          HD11      LEU  15   8.333  -2.288   2.159
  128   2HD1  LEU  15          HD12      LEU  15   7.348  -3.618   1.544
  129   3HD1  LEU  15          HD13      LEU  15   7.067  -2.991   3.169
  130   1HD2  LEU  15          HD21      LEU  15   4.241  -1.362   1.669
  131   2HD2  LEU  15          HD22      LEU  15   4.853  -2.335   3.007
  132   3HD2  LEU  15          HD23      LEU  15   4.674  -3.052   1.405
  133    H    TRP  16           HN       TRP  16   7.249  -0.480  -0.963
  134    HA   TRP  16           HA       TRP  16   9.149  -2.562  -1.013
  135   1HB   TRP  16          HB2       TRP  16   7.110  -1.577  -2.711
  136   2HB   TRP  16          HB1       TRP  16   8.589  -1.589  -3.665
  137    HD1  TRP  16           HD1      TRP  16   8.870  -3.762  -4.953
  138    HE1  TRP  16           HE1      TRP  16   8.239  -6.232  -4.595
  139    HE3  TRP  16           HE3      TRP  16   6.610  -3.367  -0.385
  140    HZ2  TRP  16           HZ2      TRP  16   6.950  -7.804  -2.634
  141    HZ3  TRP  16           HZ3      TRP  16   5.702  -5.400   0.662
  142    HH2  TRP  16           HH2      TRP  16   5.869  -7.572  -0.441
  143    H    TYR  17           HN       TYR  17   9.254   0.810  -1.852
  144    HA   TYR  17           HA       TYR  17  11.770   0.721  -3.215
  145   1HB   TYR  17          HB2       TYR  17  10.727   2.615  -3.912
  146   2HB   TYR  17          HB1       TYR  17   9.790   2.763  -2.431
  147    HD1  TYR  17           HD1      TYR  17  13.082   3.475  -3.969
  148    HD2  TYR  17           HD2      TYR  17  10.461   4.244  -0.706
  149    HE1  TYR  17           HE1      TYR  17  14.529   5.330  -3.252
  150    HE2  TYR  17           HE2      TYR  17  11.901   6.102   0.019
  151    HH   TYR  17           HH       TYR  17  13.972   7.037  -0.235
  152    H    ILE  18           HN       ILE  18  10.686   1.137   0.068
  153    HA   ILE  18           HA       ILE  18  13.134   2.160   1.117
  154    HB   ILE  18           HB       ILE  18  10.948   0.706   2.614
  155   1HG1  ILE  18          HG12      ILE  18  11.228   3.695   2.294
  156   2HG1  ILE  18          HG11      ILE  18  10.239   2.726   1.207
  157   1HG2  ILE  18          HG21      ILE  18  12.140   1.087   4.449
  158   2HG2  ILE  18          HG22      ILE  18  12.257   2.804   4.063
  159   3HG2  ILE  18          HG23      ILE  18  13.457   1.676   3.434
  160   1HD1  ILE  18          HD11      ILE  18   8.571   2.636   2.666
  161   2HD1  ILE  18          HD12      ILE  18   9.427   3.889   3.565
  162   3HD1  ILE  18          HD13      ILE  18   9.646   2.192   3.991
  163    H    LYS  19           HN       LYS  19  11.574  -1.025   1.539
  164    HA   LYS  19           HA       LYS  19  13.896  -2.241   2.619
  165   1HB   LYS  19          HB2       LYS  19  11.288  -3.286   1.555
  166   2HB   LYS  19          HB1       LYS  19  12.578  -4.393   2.005
  167   1HG   LYS  19          HG2       LYS  19  12.519  -2.920   4.223
  168   2HG   LYS  19          HG1       LYS  19  10.847  -2.700   3.703
  169   1HD   LYS  19          HD2       LYS  19  11.450  -5.438   3.388
  170   2HD   LYS  19          HD1       LYS  19  12.059  -4.958   4.973
  171   1HE   LYS  19          HE2       LYS  19   9.741  -3.799   5.212
  172   2HE   LYS  19          HE1       LYS  19   9.261  -4.896   3.915
  173   1HZ   LYS  19          HZ1       LYS  19  10.387  -5.686   6.555
  174   2HZ   LYS  19          HZ2       LYS  19  10.015  -6.761   5.302
  175   3HZ   LYS  19          HZ3       LYS  19   8.781  -5.880   6.053
  176   1HN   NH2  20          HN1       LYS  19  12.929  -2.476  -1.107
  177   2HN   NH2  20          HN2       LYS  19  13.174  -4.133  -0.685
  Start of MODEL   23
    1   1H    LYS   1          HT1       LYS   1  16.368   0.709  -4.755
    2   2H    LYS   1          HT2       LYS   1  17.990   0.345  -4.442
    3   3H    LYS   1          HT3       LYS   1  17.435   1.934  -4.279
    4    HA   LYS   1           HA       LYS   1  17.719   0.256  -2.238
    5   1HB   LYS   1          HB2       LYS   1  16.392   2.758  -2.819
    6   2HB   LYS   1          HB1       LYS   1  15.530   1.885  -1.560
    7   1HG   LYS   1          HG2       LYS   1  18.470   2.066  -1.295
    8   2HG   LYS   1          HG1       LYS   1  17.539   3.544  -1.043
    9   1HD   LYS   1          HD2       LYS   1  16.064   1.989   0.467
   10   2HD   LYS   1          HD1       LYS   1  17.522   0.996   0.512
   11   1HE   LYS   1          HE2       LYS   1  18.260   3.712   0.944
   12   2HE   LYS   1          HE1       LYS   1  16.919   3.320   2.020
   13   1HZ   LYS   1          HZ1       LYS   1  19.560   2.701   2.408
   14   2HZ   LYS   1          HZ2       LYS   1  18.855   1.232   1.957
   15   3HZ   LYS   1          HZ3       LYS   1  18.246   2.090   3.281
   16    H    TRP   2           HN       TRP   2  15.586   0.001  -0.632
   17    HA   TRP   2           HA       TRP   2  13.940  -2.002  -2.023
   18   1HB   TRP   2          HB2       TRP   2  13.568  -2.952   0.268
   19   2HB   TRP   2          HB1       TRP   2  15.243  -3.005  -0.271
   20    HD1  TRP   2           HD1      TRP   2  16.988  -1.387   0.974
   21    HE1  TRP   2           HE1      TRP   2  16.902  -0.224   3.268
   22    HE3  TRP   2           HE3      TRP   2  11.985  -1.844   1.934
   23    HZ2  TRP   2           HZ2      TRP   2  14.973   0.415   5.224
   24    HZ3  TRP   2           HZ3      TRP   2  11.101  -0.929   4.041
   25    HH2  TRP   2           HH2      TRP   2  12.566   0.177   5.651
   26    H    ALA   3           HN       ALA   3  13.570   1.023  -1.598
   27    HA   ALA   3           HA       ALA   3  11.227   1.218   0.056
   28   1HB   ALA   3          HB1       ALA   3  11.140   3.547  -1.078
   29   2HB   ALA   3          HB2       ALA   3  12.736   3.117  -1.692
   30   3HB   ALA   3          HB3       ALA   3  12.448   3.182   0.047
   31    H    SER   4           HN       SER   4  11.272  -0.589  -2.370
   32    HA   SER   4           HA       SER   4   9.010   0.580  -3.840
   33   1HB   SER   4          HB2       SER   4  10.374  -1.883  -4.820
   34   2HB   SER   4          HB1       SER   4   9.675  -0.545  -5.731
   35    HG   SER   4           HG       SER   4  11.578   0.318  -5.794
   36    H    LEU   5           HN       LEU   5   8.898  -0.737  -1.201
   37    HA   LEU   5           HA       LEU   5   6.963  -2.832  -1.911
   38   1HB   LEU   5          HB2       LEU   5   7.652  -4.155   0.009
   39   2HB   LEU   5          HB1       LEU   5   8.990  -3.916  -1.098
   40    HG   LEU   5           HG       LEU   5   9.454  -1.872   0.585
   41   1HD1  LEU   5          HD11      LEU   5   9.029  -3.542   2.801
   42   2HD1  LEU   5          HD12      LEU   5   7.502  -3.488   1.920
   43   3HD1  LEU   5          HD13      LEU   5   8.266  -1.990   2.453
   44   1HD2  LEU   5          HD21      LEU   5  11.172  -3.378   0.062
   45   2HD2  LEU   5          HD22      LEU   5  10.295  -4.750   0.739
   46   3HD2  LEU   5          HD23      LEU   5  10.971  -3.522   1.809
   47    H    TRP   6           HN       TRP   6   7.609   0.045  -0.301
   48    HA   TRP   6           HA       TRP   6   5.473  -0.321   1.657
   49   1HB   TRP   6          HB2       TRP   6   6.314   1.505   2.811
   50   2HB   TRP   6          HB1       TRP   6   7.777   0.835   2.100
   51    HD1  TRP   6           HD1      TRP   6   9.070   2.314   0.342
   52    HE1  TRP   6           HE1      TRP   6   8.828   4.760  -0.424
   53    HE3  TRP   6           HE3      TRP   6   4.499   3.358   2.381
   54    HZ2  TRP   6           HZ2      TRP   6   6.947   6.854  -0.193
   55    HZ3  TRP   6           HZ3      TRP   6   3.548   5.604   2.061
   56    HH2  TRP   6           HH2      TRP   6   4.749   7.315   0.802
   57    H    ASN   7           HN       ASN   7   6.131   1.206  -1.369
   58    HA   ASN   7           HA       ASN   7   4.254   3.240  -1.444
   59   1HB   ASN   7          HB2       ASN   7   4.263   2.916  -3.906
   60   2HB   ASN   7          HB1       ASN   7   5.881   2.969  -3.214
   61   1HD2  ASN   7          HD21      ASN   7   7.094   1.067  -3.109
   62   2HD2  ASN   7          HD22      ASN   7   6.699  -0.317  -4.064
   63    H    TRP   8           HN       TRP   8   3.792  -0.178  -1.593
   64    HA   TRP   8           HA       TRP   8   0.969   0.172  -2.330
   65   1HB   TRP   8          HB2       TRP   8   0.999  -1.904  -3.278
   66   2HB   TRP   8          HB1       TRP   8   2.701  -1.493  -3.463
   67    HD1  TRP   8           HD1      TRP   8   4.451  -2.797  -1.920
   68    HE1  TRP   8           HE1      TRP   8   4.251  -4.996  -0.581
   69    HE3  TRP   8           HE3      TRP   8  -0.616  -3.277  -1.933
   70    HZ2  TRP   8           HZ2      TRP   8   2.192  -6.707   0.344
   71    HZ3  TRP   8           HZ3      TRP   8  -1.630  -5.195  -0.810
   72    HH2  TRP   8           HH2      TRP   8  -0.261  -6.888   0.308
   73    H    PHE   9           HN       PHE   9   3.053  -0.720   0.283
   74    HA   PHE   9           HA       PHE   9   1.194  -2.205   1.812
   75   1HB   PHE   9          HB2       PHE   9   3.827  -1.009   2.228
   76   2HB   PHE   9          HB1       PHE   9   2.822  -0.956   3.670
   77    HD1  PHE   9           HD1      PHE   9   5.425  -2.604   2.783
   78    HD2  PHE   9           HD2      PHE   9   1.298  -3.504   3.309
   79    HE1  PHE   9           HE1      PHE   9   6.001  -4.947   3.261
   80    HE2  PHE   9           HE2      PHE   9   1.867  -5.849   3.787
   81    HZ   PHE   9           HZ       PHE   9   4.221  -6.573   3.763
   82    H    ASN  10           HN       ASN  10   1.580   1.159   1.181
   83    HA   ASN  10           HA       ASN  10  -0.107   1.953   3.416
   84   1HB   ASN  10          HB2       ASN  10   0.370   4.216   2.789
   85   2HB   ASN  10          HB1       ASN  10   1.882   3.320   2.688
   86   1HD2  ASN  10          HD21      ASN  10  -0.659   4.871   0.892
   87   2HD2  ASN  10          HD22      ASN  10   0.178   4.941  -0.618
   88    H    ILE  11           HN       ILE  11  -0.480   0.854   0.289
   89    HA   ILE  11           HA       ILE  11  -2.833   2.396  -0.381
   90    HB   ILE  11           HB       ILE  11  -1.807  -0.091  -1.751
   91   1HG1  ILE  11          HG12      ILE  11  -1.143   2.819  -2.258
   92   2HG1  ILE  11          HG11      ILE  11  -0.029   1.568  -1.714
   93   1HG2  ILE  11          HG21      ILE  11  -3.290   0.318  -3.425
   94   2HG2  ILE  11          HG22      ILE  11  -3.272   2.062  -3.167
   95   3HG2  ILE  11          HG23      ILE  11  -4.199   1.020  -2.087
   96   1HD1  ILE  11          HD11      ILE  11   0.196   2.152  -4.107
   97   2HD1  ILE  11          HD12      ILE  11  -1.437   1.542  -4.373
   98   3HD1  ILE  11          HD13      ILE  11  -0.166   0.449  -3.825
   99    H    THR  12           HN       THR  12  -2.065  -0.648   1.104
  100    HA   THR  12           HA       THR  12  -4.568  -1.928   0.794
  101    HB   THR  12           HB       THR  12  -3.718  -3.058   3.054
  102    HG1  THR  12           HG1      THR  12  -1.792  -2.405   3.613
  103   1HG2  THR  12          HG21      THR  12  -3.907  -4.266   0.983
  104   2HG2  THR  12          HG22      THR  12  -2.303  -4.568   1.652
  105   3HG2  THR  12          HG23      THR  12  -2.502  -3.433   0.317
  106    H    ASN  13           HN       ASN  13  -3.927   0.892   2.330
  107    HA   ASN  13           HA       ASN  13  -5.705   0.465   4.599
  108   1HB   ASN  13          HB2       ASN  13  -4.284   3.005   3.779
  109   2HB   ASN  13          HB1       ASN  13  -5.033   2.663   5.336
  110   1HD2  ASN  13          HD21      ASN  13  -2.223   3.293   4.388
  111   2HD2  ASN  13          HD22      ASN  13  -1.248   2.086   5.148
  112    H    TRP  14           HN       TRP  14  -5.523   2.500   1.681
  113    HA   TRP  14           HA       TRP  14  -8.284   3.341   2.123
  114   1HB   TRP  14          HB2       TRP  14  -7.764   4.711  -0.041
  115   2HB   TRP  14          HB1       TRP  14  -7.110   5.228   1.507
  116    HD1  TRP  14           HD1      TRP  14  -4.446   4.380   1.936
  117    HE1  TRP  14           HE1      TRP  14  -2.518   4.375   0.244
  118    HE3  TRP  14           HE3      TRP  14  -7.168   4.509  -2.386
  119    HZ2  TRP  14           HZ2      TRP  14  -2.187   4.430  -2.559
  120    HZ3  TRP  14           HZ3      TRP  14  -5.967   4.534  -4.533
  121    HH2  TRP  14           HH2      TRP  14  -3.527   4.496  -4.615
  122    H    LEU  15           HN       LEU  15  -6.330   1.536  -0.200
  123    HA   LEU  15           HA       LEU  15  -8.330   1.156  -2.131
  124   1HB   LEU  15          HB2       LEU  15  -6.825  -0.149  -3.191
  125   2HB   LEU  15          HB1       LEU  15  -5.719   0.508  -2.003
  126    HG   LEU  15           HG       LEU  15  -6.436  -1.597  -0.611
  127   1HD1  LEU  15          HD11      LEU  15  -6.596  -2.948  -3.228
  128   2HD1  LEU  15          HD12      LEU  15  -8.038  -2.071  -2.710
  129   3HD1  LEU  15          HD13      LEU  15  -7.366  -3.347  -1.692
  130   1HD2  LEU  15          HD21      LEU  15  -4.187  -1.394  -1.125
  131   2HD2  LEU  15          HD22      LEU  15  -4.479  -1.399  -2.863
  132   3HD2  LEU  15          HD23      LEU  15  -4.630  -2.894  -1.940
  133    H    TRP  16           HN       TRP  16  -7.612  -0.479   0.880
  134    HA   TRP  16           HA       TRP  16  -9.350  -2.691   0.530
  135   1HB   TRP  16          HB2       TRP  16  -7.580  -1.746   2.528
  136   2HB   TRP  16          HB1       TRP  16  -9.155  -1.917   3.295
  137    HD1  TRP  16           HD1      TRP  16  -9.499  -4.215   4.327
  138    HE1  TRP  16           HE1      TRP  16  -8.659  -6.605   3.863
  139    HE3  TRP  16           HE3      TRP  16  -6.639  -3.280   0.199
  140    HZ2  TRP  16           HZ2      TRP  16  -6.999  -7.917   1.994
  141    HZ3  TRP  16           HZ3      TRP  16  -5.454  -5.154  -0.867
  142    HH2  TRP  16           HH2      TRP  16  -5.631  -7.425   0.014
  143    H    TYR  17           HN       TYR  17  -9.796   0.616   1.318
  144    HA   TYR  17           HA       TYR  17 -12.431   0.300   2.458
  145   1HB   TYR  17          HB2       TYR  17 -11.595   2.194   3.393
  146   2HB   TYR  17          HB1       TYR  17 -10.492   2.487   2.055
  147    HD1  TYR  17           HD1      TYR  17 -11.051   4.020   0.318
  148    HD2  TYR  17           HD2      TYR  17 -13.959   2.972   3.243
  149    HE1  TYR  17           HE1      TYR  17 -12.490   5.855  -0.462
  150    HE2  TYR  17           HE2      TYR  17 -15.405   4.803   2.468
  151    HH   TYR  17           HH       TYR  17 -15.513   6.119  -0.069
  152    H    ILE  18           HN       ILE  18 -10.992   0.828  -0.639
  153    HA   ILE  18           HA       ILE  18 -13.373   1.810  -1.920
  154    HB   ILE  18           HB       ILE  18 -10.901   0.666  -3.226
  155   1HG1  ILE  18          HG12      ILE  18 -11.443   3.595  -2.783
  156   2HG1  ILE  18          HG11      ILE  18 -10.599   2.636  -1.571
  157   1HG2  ILE  18          HG21      ILE  18 -12.030   2.711  -4.767
  158   2HG2  ILE  18          HG22      ILE  18 -13.384   1.720  -4.225
  159   3HG2  ILE  18          HG23      ILE  18 -12.047   0.980  -5.105
  160   1HD1  ILE  18          HD11      ILE  18  -8.963   3.723  -2.892
  161   2HD1  ILE  18          HD12      ILE  18  -9.735   3.205  -4.391
  162   3HD1  ILE  18          HD13      ILE  18  -8.949   2.020  -3.348
  163    H    LYS  19           HN       LYS  19 -11.484  -1.198  -2.281
  164    HA   LYS  19           HA       LYS  19 -13.377  -2.559  -3.833
  165   1HB   LYS  19          HB2       LYS  19 -10.875  -3.160  -2.524
  166   2HB   LYS  19          HB1       LYS  19 -12.000  -4.498  -2.338
  167   1HG   LYS  19          HG2       LYS  19 -12.354  -4.416  -4.822
  168   2HG   LYS  19          HG1       LYS  19 -11.016  -3.267  -4.898
  169   1HD   LYS  19          HD2       LYS  19 -10.064  -5.375  -3.343
  170   2HD   LYS  19          HD1       LYS  19 -10.962  -6.146  -4.652
  171   1HE   LYS  19          HE2       LYS  19  -9.253  -5.784  -6.020
  172   2HE   LYS  19          HE1       LYS  19  -9.458  -4.046  -5.795
  173   1HZ   LYS  19          HZ1       LYS  19  -8.083  -4.352  -3.703
  174   2HZ   LYS  19          HZ2       LYS  19  -7.256  -4.501  -5.171
  175   3HZ   LYS  19          HZ3       LYS  19  -7.681  -5.886  -4.296
  176   1HN   NH2  20          HN1       LYS  19 -13.271  -2.431  -0.144
  177   2HN   NH2  20          HN2       LYS  19 -13.822  -4.068  -0.113
  Start of MODEL   24
    1   1H    LYS   1          HT1       LYS   1 -15.929  -1.647   5.737
    2   2H    LYS   1          HT2       LYS   1 -17.215  -0.584   5.463
    3   3H    LYS   1          HT3       LYS   1 -15.631  -0.097   5.125
    4    HA   LYS   1           HA       LYS   1 -17.046  -2.306   3.749
    5   1HB   LYS   1          HB2       LYS   1 -17.063  -0.655   1.831
    6   2HB   LYS   1          HB1       LYS   1 -18.141  -0.275   3.165
    7   1HG   LYS   1          HG2       LYS   1 -16.930   1.549   3.810
    8   2HG   LYS   1          HG1       LYS   1 -15.415   0.907   3.171
    9   1HD   LYS   1          HD2       LYS   1 -15.735   2.321   1.464
   10   2HD   LYS   1          HD1       LYS   1 -16.954   1.170   0.914
   11   1HE   LYS   1          HE2       LYS   1 -17.795   3.487   0.986
   12   2HE   LYS   1          HE1       LYS   1 -18.690   2.405   2.052
   13   1HZ   LYS   1          HZ1       LYS   1 -18.138   3.626   3.804
   14   2HZ   LYS   1          HZ2       LYS   1 -17.524   4.789   2.741
   15   3HZ   LYS   1          HZ3       LYS   1 -16.494   3.619   3.399
   16    H    TRP   2           HN       TRP   2 -15.855  -1.985   1.313
   17    HA   TRP   2           HA       TRP   2 -13.278  -3.135   1.767
   18   1HB   TRP   2          HB2       TRP   2 -13.175  -3.358  -0.664
   19   2HB   TRP   2          HB1       TRP   2 -14.744  -3.886  -0.065
   20    HD1  TRP   2           HD1      TRP   2 -16.846  -2.192  -0.524
   21    HE1  TRP   2           HE1      TRP   2 -17.225  -0.498  -2.424
   22    HE3  TRP   2           HE3      TRP   2 -12.037  -1.768  -2.205
   23    HZ2  TRP   2           HZ2      TRP   2 -15.685   0.842  -4.377
   24    HZ3  TRP   2           HZ3      TRP   2 -11.574  -0.260  -4.092
   25    HH2  TRP   2           HH2      TRP   2 -13.360   1.017  -5.155
   26    H    ALA   3           HN       ALA   3 -13.967  -0.130   2.267
   27    HA   ALA   3           HA       ALA   3 -12.130   1.262   0.551
   28   1HB   ALA   3          HB1       ALA   3 -12.586   2.978   2.612
   29   2HB   ALA   3          HB2       ALA   3 -14.029   1.966   2.669
   30   3HB   ALA   3          HB3       ALA   3 -13.610   2.823   1.185
   31    H    SER   4           HN       SER   4 -11.067  -0.982   2.136
   32    HA   SER   4           HA       SER   4  -8.839   0.465   3.356
   33   1HB   SER   4          HB2       SER   4 -10.331  -1.792   4.715
   34   2HB   SER   4          HB1       SER   4  -8.826  -1.078   5.293
   35    HG   SER   4           HG       SER   4 -10.305   0.062   6.361
   36    H    LEU   5           HN       LEU   5  -8.552  -0.514   0.921
   37    HA   LEU   5           HA       LEU   5  -6.762  -2.778   1.335
   38   1HB   LEU   5          HB2       LEU   5  -7.622  -4.071  -0.481
   39   2HB   LEU   5          HB1       LEU   5  -8.940  -3.727   0.622
   40    HG   LEU   5           HG       LEU   5  -9.326  -1.705  -1.077
   41   1HD1  LEU   5          HD11      LEU   5  -7.271  -2.952  -2.355
   42   2HD1  LEU   5          HD12      LEU   5  -8.475  -1.929  -3.139
   43   3HD1  LEU   5          HD13      LEU   5  -8.672  -3.681  -3.139
   44   1HD2  LEU   5          HD21      LEU   5 -10.811  -3.387  -2.369
   45   2HD2  LEU   5          HD22      LEU   5 -11.115  -3.113  -0.653
   46   3HD2  LEU   5          HD23      LEU   5 -10.238  -4.552  -1.175
   47    H    TRP   6           HN       TRP   6  -7.608   0.120  -0.234
   48    HA   TRP   6           HA       TRP   6  -5.523  -0.182  -2.257
   49   1HB   TRP   6          HB2       TRP   6  -6.467   1.620  -3.396
   50   2HB   TRP   6          HB1       TRP   6  -7.874   0.838  -2.686
   51    HD1  TRP   6           HD1      TRP   6  -9.339   2.249  -1.054
   52    HE1  TRP   6           HE1      TRP   6  -9.264   4.687  -0.231
   53    HE3  TRP   6           HE3      TRP   6  -4.700   3.549  -2.772
   54    HZ2  TRP   6           HZ2      TRP   6  -7.476   6.870  -0.299
   55    HZ3  TRP   6           HZ3      TRP   6  -3.880   5.830  -2.349
   56    HH2  TRP   6           HH2      TRP   6  -5.243   7.456  -1.139
   57    H    ASN   7           HN       ASN   7  -6.246   1.552   0.683
   58    HA   ASN   7           HA       ASN   7  -4.341   3.562   0.607
   59   1HB   ASN   7          HB2       ASN   7  -4.959   2.085   3.147
   60   2HB   ASN   7          HB1       ASN   7  -4.667   3.806   2.915
   61   1HD2  ASN   7          HD21      ASN   7  -6.984   1.289   2.933
   62   2HD2  ASN   7          HD22      ASN   7  -8.375   2.262   2.611
   63    H    TRP   8           HN       TRP   8  -3.911   0.173   0.995
   64    HA   TRP   8           HA       TRP   8  -1.126   0.557   1.843
   65   1HB   TRP   8          HB2       TRP   8  -1.232  -1.416   2.948
   66   2HB   TRP   8          HB1       TRP   8  -2.965  -1.126   2.885
   67    HD1  TRP   8           HD1      TRP   8  -4.411  -2.679   1.293
   68    HE1  TRP   8           HE1      TRP   8  -3.900  -4.915   0.116
   69    HE3  TRP   8           HE3      TRP   8   0.660  -2.700   1.787
   70    HZ2  TRP   8           HZ2      TRP   8  -1.632  -6.479  -0.516
   71    HZ3  TRP   8           HZ3      TRP   8   1.933  -4.589   0.874
   72    HH2  TRP   8           HH2      TRP   8   0.812  -6.444  -0.256
   73    H    PHE   9           HN       PHE   9  -3.108  -0.412  -0.795
   74    HA   PHE   9           HA       PHE   9  -1.303  -2.005  -2.239
   75   1HB   PHE   9          HB2       PHE   9  -3.881  -1.111  -2.608
   76   2HB   PHE   9          HB1       PHE   9  -3.002  -0.270  -3.880
   77    HD1  PHE   9           HD1      PHE   9  -2.203  -1.422  -5.787
   78    HD2  PHE   9           HD2      PHE   9  -3.867  -3.582  -2.521
   79    HE1  PHE   9           HE1      PHE   9  -2.274  -3.453  -7.173
   80    HE2  PHE   9           HE2      PHE   9  -3.943  -5.618  -3.899
   81    HZ   PHE   9           HZ       PHE   9  -3.144  -5.556  -6.229
   82    H    ASN  10           HN       ASN  10  -1.468   1.403  -1.707
   83    HA   ASN  10           HA       ASN  10   0.416   1.974  -3.861
   84   1HB   ASN  10          HB2       ASN  10   0.103   4.344  -3.187
   85   2HB   ASN  10          HB1       ASN  10  -1.415   3.548  -3.593
   86   1HD2  ASN  10          HD21      ASN  10   0.626   4.602  -0.935
   87   2HD2  ASN  10          HD22      ASN  10  -0.646   4.752   0.225
   88    H    ILE  11           HN       ILE  11   0.482   1.052  -0.657
   89    HA   ILE  11           HA       ILE  11   2.829   2.541   0.125
   90    HB   ILE  11           HB       ILE  11   1.606   0.152   1.510
   91   1HG1  ILE  11          HG12      ILE  11   1.047   3.108   1.844
   92   2HG1  ILE  11          HG11      ILE  11  -0.084   1.882   1.277
   93   1HG2  ILE  11          HG21      ILE  11   3.054   0.488   3.201
   94   2HG2  ILE  11          HG22      ILE  11   2.985   2.244   3.046
   95   3HG2  ILE  11          HG23      ILE  11   4.018   1.303   1.969
   96   1HD1  ILE  11          HD11      ILE  11  -0.759   1.596   3.360
   97   2HD1  ILE  11          HD12      ILE  11   0.450   2.742   3.937
   98   3HD1  ILE  11          HD13      ILE  11   0.854   1.031   3.794
   99    H    THR  12           HN       THR  12   2.093  -0.569  -1.265
  100    HA   THR  12           HA       THR  12   4.531  -1.876  -0.703
  101    HB   THR  12           HB       THR  12   3.670  -2.855  -3.181
  102    HG1  THR  12           HG1      THR  12   1.758  -1.397  -2.532
  103   1HG2  THR  12          HG21      THR  12   4.233  -4.483  -1.679
  104   2HG2  THR  12          HG22      THR  12   2.478  -4.544  -1.509
  105   3HG2  THR  12          HG23      THR  12   3.449  -3.662  -0.329
  106    H    ASN  13           HN       ASN  13   4.002   0.851  -2.512
  107    HA   ASN  13           HA       ASN  13   5.965   0.312  -4.577
  108   1HB   ASN  13          HB2       ASN  13   4.114   2.563  -3.929
  109   2HB   ASN  13          HB1       ASN  13   5.529   2.906  -4.918
  110   1HD2  ASN  13          HD21      ASN  13   2.627   0.948  -4.678
  111   2HD2  ASN  13          HD22      ASN  13   2.458   0.657  -6.373
  112    H    TRP  14           HN       TRP  14   5.696   2.401  -1.706
  113    HA   TRP  14           HA       TRP  14   8.525   3.094  -1.988
  114   1HB   TRP  14          HB2       TRP  14   7.921   4.596   0.066
  115   2HB   TRP  14          HB1       TRP  14   7.418   5.072  -1.551
  116    HD1  TRP  14           HD1      TRP  14   4.757   4.331  -2.154
  117    HE1  TRP  14           HE1      TRP  14   2.703   4.504  -0.624
  118    HE3  TRP  14           HE3      TRP  14   7.134   4.541   2.361
  119    HZ2  TRP  14           HZ2      TRP  14   2.159   4.712   2.141
  120    HZ3  TRP  14           HZ3      TRP  14   5.775   4.730   4.403
  121    HH2  TRP  14           HH2      TRP  14   3.337   4.814   4.293
  122    H    LEU  15           HN       LEU  15   6.291   1.547   0.274
  123    HA   LEU  15           HA       LEU  15   8.057   1.157   2.392
  124   1HB   LEU  15          HB2       LEU  15   6.415  -0.086   3.312
  125   2HB   LEU  15          HB1       LEU  15   5.466   0.536   1.980
  126    HG   LEU  15           HG       LEU  15   6.316  -1.629   0.761
  127   1HD1  LEU  15          HD11      LEU  15   7.659  -2.049   3.031
  128   2HD1  LEU  15          HD12      LEU  15   7.047  -3.363   2.023
  129   3HD1  LEU  15          HD13      LEU  15   6.143  -2.851   3.449
  130   1HD2  LEU  15          HD21      LEU  15   4.313  -2.805   1.575
  131   2HD2  LEU  15          HD22      LEU  15   3.988  -1.115   1.191
  132   3HD2  LEU  15          HD23      LEU  15   4.163  -1.619   2.871
  133    H    TRP  16           HN       TRP  16   7.701  -0.509  -0.653
  134    HA   TRP  16           HA       TRP  16   9.295  -2.774  -0.073
  135   1HB   TRP  16          HB2       TRP  16   7.855  -1.806  -2.281
  136   2HB   TRP  16          HB1       TRP  16   9.525  -1.898  -2.830
  137    HD1  TRP  16           HD1      TRP  16  10.004  -4.117  -3.971
  138    HE1  TRP  16           HE1      TRP  16   9.219  -6.554  -3.701
  139    HE3  TRP  16           HE3      TRP  16   6.767  -3.499  -0.063
  140    HZ2  TRP  16           HZ2      TRP  16   7.457  -8.019  -2.051
  141    HZ3  TRP  16           HZ3      TRP  16   5.570  -5.468   0.801
  142    HH2  TRP  16           HH2      TRP  16   5.909  -7.680  -0.174
  143    H    TYR  17           HN       TYR  17   9.960   0.474  -1.178
  144    HA   TYR  17           HA       TYR  17  12.702   0.123  -1.795
  145   1HB   TYR  17          HB2       TYR  17  11.984   2.080  -2.732
  146   2HB   TYR  17          HB1       TYR  17  10.817   2.387  -1.452
  147    HD1  TYR  17           HD1      TYR  17  14.378   2.698  -2.396
  148    HD2  TYR  17           HD2      TYR  17  11.350   3.815   0.376
  149    HE1  TYR  17           HE1      TYR  17  15.881   4.398  -1.448
  150    HE2  TYR  17           HE2      TYR  17  12.844   5.518   1.331
  151    HH   TYR  17           HH       TYR  17  14.959   6.292   1.387
  152    H    ILE  18           HN       ILE  18  10.918   0.586   1.128
  153    HA   ILE  18           HA       ILE  18  13.269   1.262   2.702
  154    HB   ILE  18           HB       ILE  18  10.474   0.705   3.702
  155   1HG1  ILE  18          HG12      ILE  18  11.483   3.489   3.371
  156   2HG1  ILE  18          HG11      ILE  18  10.958   2.641   1.920
  157   1HG2  ILE  18          HG21      ILE  18  12.825   1.014   5.086
  158   2HG2  ILE  18          HG22      ILE  18  11.207   1.277   5.735
  159   3HG2  ILE  18          HG23      ILE  18  12.140   2.638   5.115
  160   1HD1  ILE  18          HD11      ILE  18   8.964   2.213   3.846
  161   2HD1  ILE  18          HD12      ILE  18   8.881   3.216   2.398
  162   3HD1  ILE  18          HD13      ILE  18   9.391   3.921   3.932
  163    H    LYS  19           HN       LYS  19  11.321  -1.492   1.903
  164    HA   LYS  19           HA       LYS  19  12.608  -3.103   3.988
  165   1HB   LYS  19          HB2       LYS  19   9.994  -3.062   2.942
  166   2HB   LYS  19          HB1       LYS  19  10.713  -4.565   2.383
  167   1HG   LYS  19          HG2       LYS  19  10.314  -5.468   4.358
  168   2HG   LYS  19          HG1       LYS  19  11.394  -4.290   5.106
  169   1HD   LYS  19          HD2       LYS  19   9.669  -3.288   6.089
  170   2HD   LYS  19          HD1       LYS  19   8.889  -3.039   4.526
  171   1HE   LYS  19          HE2       LYS  19   7.295  -4.352   5.445
  172   2HE   LYS  19          HE1       LYS  19   8.356  -5.640   4.872
  173   1HZ   LYS  19          HZ1       LYS  19   8.224  -4.528   7.627
  174   2HZ   LYS  19          HZ2       LYS  19   9.409  -5.618   7.109
  175   3HZ   LYS  19          HZ3       LYS  19   7.784  -6.087   7.135
  176   1HN   NH2  20          HN1       LYS  19  13.564  -3.070   0.282
  177   2HN   NH2  20          HN2       LYS  19  14.627  -2.758   1.608
  Start of MODEL   25
    1   1H    LYS   1          HT1       LYS   1  17.671  -0.390  -4.100
    2   2H    LYS   1          HT2       LYS   1  16.120  -0.962  -4.460
    3   3H    LYS   1          HT3       LYS   1  17.221  -1.958  -3.651
    4    HA   LYS   1           HA       LYS   1  17.145  -0.653  -1.702
    5   1HB   LYS   1          HB2       LYS   1  16.369   1.343  -3.594
    6   2HB   LYS   1          HB1       LYS   1  15.140   1.263  -2.339
    7   1HG   LYS   1          HG2       LYS   1  17.953   1.300  -1.440
    8   2HG   LYS   1          HG1       LYS   1  17.319   2.786  -2.152
    9   1HD   LYS   1          HD2       LYS   1  15.855   3.141  -0.445
   10   2HD   LYS   1          HD1       LYS   1  15.624   1.417  -0.142
   11   1HE   LYS   1          HE2       LYS   1  16.838   2.693   1.662
   12   2HE   LYS   1          HE1       LYS   1  17.661   1.259   1.050
   13   1HZ   LYS   1          HZ1       LYS   1  18.284   3.786  -0.262
   14   2HZ   LYS   1          HZ2       LYS   1  19.295   2.483   0.112
   15   3HZ   LYS   1          HZ3       LYS   1  18.866   3.591   1.315
   16    H    TRP   2           HN       TRP   2  15.666  -1.148  -0.124
   17    HA   TRP   2           HA       TRP   2  13.422  -2.769  -0.959
   18   1HB   TRP   2          HB2       TRP   2  13.242  -3.434   1.332
   19   2HB   TRP   2          HB1       TRP   2  14.956  -3.400   0.935
   20    HD1  TRP   2           HD1      TRP   2  16.392  -1.311   1.964
   21    HE1  TRP   2           HE1      TRP   2  16.023   0.053   4.115
   22    HE3  TRP   2           HE3      TRP   2  11.505  -2.510   2.860
   23    HZ2  TRP   2           HZ2      TRP   2  13.936   0.550   5.948
   24    HZ3  TRP   2           HZ3      TRP   2  10.395  -1.549   4.833
   25    HH2  TRP   2           HH2      TRP   2  11.588  -0.049   6.346
   26    H    ALA   3           HN       ALA   3  13.784   0.422  -0.760
   27    HA   ALA   3           HA       ALA   3  11.431   1.137   0.741
   28   1HB   ALA   3          HB1       ALA   3  13.231   2.756  -1.056
   29   2HB   ALA   3          HB2       ALA   3  13.260   2.692   0.706
   30   3HB   ALA   3          HB3       ALA   3  11.887   3.421  -0.126
   31    H    SER   4           HN       SER   4  11.599  -0.508  -1.963
   32    HA   SER   4           HA       SER   4   9.510   0.991  -3.383
   33   1HB   SER   4          HB2       SER   4  11.598  -0.956  -4.251
   34   2HB   SER   4          HB1       SER   4  10.083  -0.908  -5.152
   35    HG   SER   4           HG       SER   4  11.273   0.600  -6.138
   36    H    LEU   5           HN       LEU   5   9.118  -0.646  -0.947
   37    HA   LEU   5           HA       LEU   5   7.181  -2.554  -2.075
   38   1HB   LEU   5          HB2       LEU   5   7.557  -4.061  -0.245
   39   2HB   LEU   5          HB1       LEU   5   9.088  -3.713  -1.020
   40    HG   LEU   5           HG       LEU   5   9.249  -1.896   0.913
   41   1HD1  LEU   5          HD11      LEU   5   7.796  -2.085   2.579
   42   2HD1  LEU   5          HD12      LEU   5   8.139  -3.808   2.739
   43   3HD1  LEU   5          HD13      LEU   5   6.898  -3.257   1.614
   44   1HD2  LEU   5          HD21      LEU   5  11.006  -3.320   0.949
   45   2HD2  LEU   5          HD22      LEU   5   9.993  -4.750   0.748
   46   3HD2  LEU   5          HD23      LEU   5  10.138  -3.988   2.332
   47    H    TRP   6           HN       TRP   6   7.704   0.148  -0.095
   48    HA   TRP   6           HA       TRP   6   5.277  -0.264   1.459
   49   1HB   TRP   6          HB2       TRP   6   5.988   1.417   2.869
   50   2HB   TRP   6          HB1       TRP   6   7.530   0.801   2.290
   51    HD1  TRP   6           HD1      TRP   6   9.045   2.437   0.892
   52    HE1  TRP   6           HE1      TRP   6   8.896   4.946   0.338
   53    HE3  TRP   6           HE3      TRP   6   4.223   3.306   2.350
   54    HZ2  TRP   6           HZ2      TRP   6   6.986   7.022   0.502
   55    HZ3  TRP   6           HZ3      TRP   6   3.310   5.578   2.118
   56    HH2  TRP   6           HH2      TRP   6   4.666   7.398   1.215
   57    H    ASN   7           HN       ASN   7   6.417   1.568  -1.274
   58    HA   ASN   7           HA       ASN   7   4.547   3.592  -1.440
   59   1HB   ASN   7          HB2       ASN   7   4.856   2.845  -4.077
   60   2HB   ASN   7          HB1       ASN   7   5.914   3.939  -3.190
   61   1HD2  ASN   7          HD21      ASN   7   5.423   0.425  -3.368
   62   2HD2  ASN   7          HD22      ASN   7   7.091   0.035  -3.587
   63    H    TRP   8           HN       TRP   8   4.115   0.210  -1.896
   64    HA   TRP   8           HA       TRP   8   1.383   0.664  -2.894
   65   1HB   TRP   8          HB2       TRP   8   1.553  -1.174  -4.208
   66   2HB   TRP   8          HB1       TRP   8   3.283  -0.902  -4.034
   67    HD1  TRP   8           HD1      TRP   8   4.644  -2.605  -2.517
   68    HE1  TRP   8           HE1      TRP   8   4.084  -4.951  -1.608
   69    HE3  TRP   8           HE3      TRP   8  -0.390  -2.584  -3.314
   70    HZ2  TRP   8           HZ2      TRP   8   1.791  -6.575  -1.275
   71    HZ3  TRP   8           HZ3      TRP   8  -1.700  -4.558  -2.676
   72    HH2  TRP   8           HH2      TRP   8  -0.633  -6.518  -1.677
   73    H    PHE   9           HN       PHE   9   3.310  -0.661  -0.342
   74    HA   PHE   9           HA       PHE   9   1.379  -2.328   0.854
   75   1HB   PHE   9          HB2       PHE   9   4.002  -1.764   1.358
   76   2HB   PHE   9          HB1       PHE   9   3.210  -0.932   2.693
   77    HD1  PHE   9           HD1      PHE   9   4.060  -4.141   1.234
   78    HD2  PHE   9           HD2      PHE   9   1.868  -2.194   4.319
   79    HE1  PHE   9           HE1      PHE   9   3.845  -6.282   2.427
   80    HE2  PHE   9           HE2      PHE   9   1.651  -4.332   5.518
   81    HZ   PHE   9           HZ       PHE   9   2.640  -6.379   4.572
   82    H    ASN  10           HN       ASN  10   1.787   1.089   0.749
   83    HA   ASN  10           HA       ASN  10   0.024   1.601   2.990
   84   1HB   ASN  10          HB2       ASN  10   0.755   3.755   2.896
   85   2HB   ASN  10          HB1       ASN  10   2.060   3.047   1.948
   86   1HD2  ASN  10          HD21      ASN  10   1.442   2.812  -0.457
   87   2HD2  ASN  10          HD22      ASN  10   0.730   4.214  -1.174
   88    H    ILE  11           HN       ILE  11  -0.226   0.919  -0.288
   89    HA   ILE  11           HA       ILE  11  -2.601   2.405  -0.875
   90    HB   ILE  11           HB       ILE  11  -1.446   0.014  -2.315
   91   1HG1  ILE  11          HG12      ILE  11  -1.069   2.988  -2.726
   92   2HG1  ILE  11          HG11      ILE  11   0.166   1.820  -2.262
   93   1HG2  ILE  11          HG21      ILE  11  -3.100   2.018  -3.722
   94   2HG2  ILE  11          HG22      ILE  11  -3.944   0.941  -2.610
   95   3HG2  ILE  11          HG23      ILE  11  -3.001   0.270  -3.941
   96   1HD1  ILE  11          HD11      ILE  11  -0.240   2.714  -4.779
   97   2HD1  ILE  11          HD12      ILE  11  -1.197   1.233  -4.793
   98   3HD1  ILE  11          HD13      ILE  11   0.516   1.173  -4.378
   99    H    THR  12           HN       THR  12  -1.865  -0.761   0.397
  100    HA   THR  12           HA       THR  12  -4.468  -1.875   0.069
  101    HB   THR  12           HB       THR  12  -3.473  -3.297   2.143
  102    HG1  THR  12           HG1      THR  12  -1.175  -3.412   1.781
  103   1HG2  THR  12          HG21      THR  12  -4.023  -4.482   0.228
  104   2HG2  THR  12          HG22      THR  12  -2.269  -4.656   0.271
  105   3HG2  THR  12          HG23      THR  12  -3.012  -3.476  -0.809
  106    H    ASN  13           HN       ASN  13  -3.562   0.701   1.820
  107    HA   ASN  13           HA       ASN  13  -5.072   0.117   4.234
  108   1HB   ASN  13          HB2       ASN  13  -3.406   2.454   3.324
  109   2HB   ASN  13          HB1       ASN  13  -4.426   2.554   4.756
  110   1HD2  ASN  13          HD21      ASN  13  -1.833   0.673   3.276
  111   2HD2  ASN  13          HD22      ASN  13  -1.082   0.207   4.760
  112    H    TRP  14           HN       TRP  14  -5.236   2.316   1.447
  113    HA   TRP  14           HA       TRP  14  -7.917   3.139   2.274
  114   1HB   TRP  14          HB2       TRP  14  -7.609   4.638   0.134
  115   2HB   TRP  14          HB1       TRP  14  -6.837   5.072   1.653
  116    HD1  TRP  14           HD1      TRP  14  -4.147   4.379   1.829
  117    HE1  TRP  14           HE1      TRP  14  -2.357   4.415  -0.010
  118    HE3  TRP  14           HE3      TRP  14  -7.198   4.347  -2.267
  119    HZ2  TRP  14           HZ2      TRP  14  -2.252   4.432  -2.833
  120    HZ3  TRP  14           HZ3      TRP  14  -6.174   4.378  -4.503
  121    HH2  TRP  14           HH2      TRP  14  -3.749   4.420  -4.778
  122    H    LEU  15           HN       LEU  15  -6.237   1.507  -0.373
  123    HA   LEU  15           HA       LEU  15  -8.426   1.255  -2.104
  124   1HB   LEU  15          HB2       LEU  15  -7.046   0.018  -3.387
  125   2HB   LEU  15          HB1       LEU  15  -5.821   0.566  -2.264
  126    HG   LEU  15           HG       LEU  15  -6.461  -1.624  -0.966
  127   1HD1  LEU  15          HD11      LEU  15  -7.947  -1.877  -3.418
  128   2HD1  LEU  15          HD12      LEU  15  -7.950  -2.914  -1.992
  129   3HD1  LEU  15          HD13      LEU  15  -6.761  -3.175  -3.268
  130   1HD2  LEU  15          HD21      LEU  15  -4.596  -2.665  -1.918
  131   2HD2  LEU  15          HD22      LEU  15  -4.302  -0.943  -2.159
  132   3HD2  LEU  15          HD23      LEU  15  -4.883  -1.934  -3.497
  133    H    TRP  16           HN       TRP  16  -7.438  -0.559   0.718
  134    HA   TRP  16           HA       TRP  16  -9.221  -2.737   0.429
  135   1HB   TRP  16          HB2       TRP  16  -7.265  -1.924   2.282
  136   2HB   TRP  16          HB1       TRP  16  -8.763  -2.036   3.199
  137    HD1  TRP  16           HD1      TRP  16  -9.054  -4.327   4.262
  138    HE1  TRP  16           HE1      TRP  16  -8.394  -6.745   3.678
  139    HE3  TRP  16           HE3      TRP  16  -6.716  -3.474  -0.204
  140    HZ2  TRP  16           HZ2      TRP  16  -7.059  -8.111   1.598
  141    HZ3  TRP  16           HZ3      TRP  16  -5.774  -5.391  -1.427
  142    HH2  TRP  16           HH2      TRP  16  -5.943  -7.660  -0.543
  143    H    TYR  17           HN       TYR  17  -9.462   0.471   1.802
  144    HA   TYR  17           HA       TYR  17 -12.011   0.151   3.017
  145   1HB   TYR  17          HB2       TYR  17 -11.226   2.075   3.901
  146   2HB   TYR  17          HB1       TYR  17 -10.075   2.292   2.588
  147    HD1  TYR  17           HD1      TYR  17 -13.602   2.887   3.583
  148    HD2  TYR  17           HD2      TYR  17 -10.454   3.902   0.906
  149    HE1  TYR  17           HE1      TYR  17 -14.938   4.769   2.736
  150    HE2  TYR  17           HE2      TYR  17 -11.782   5.787   0.052
  151    HH   TYR  17           HH       TYR  17 -15.031   6.120   0.543
  152    H    ILE  18           HN       ILE  18 -10.866   0.950  -0.169
  153    HA   ILE  18           HA       ILE  18 -13.357   1.885  -1.206
  154    HB   ILE  18           HB       ILE  18 -10.951   0.822  -2.700
  155   1HG1  ILE  18          HG12      ILE  18 -11.642   3.723  -2.290
  156   2HG1  ILE  18          HG11      ILE  18 -10.678   2.848  -1.106
  157   1HG2  ILE  18          HG21      ILE  18 -11.922   1.433  -4.642
  158   2HG2  ILE  18          HG22      ILE  18 -12.730   2.827  -3.924
  159   3HG2  ILE  18          HG23      ILE  18 -13.413   1.214  -3.726
  160   1HD1  ILE  18          HD11      ILE  18  -9.198   2.228  -3.137
  161   2HD1  ILE  18          HD12      ILE  18  -9.077   3.839  -2.431
  162   3HD1  ILE  18          HD13      ILE  18 -10.000   3.594  -3.913
  163    H    LYS  19           HN       LYS  19 -11.775  -1.220  -0.930
  164    HA   LYS  19           HA       LYS  19 -13.514  -2.602  -2.730
  165   1HB   LYS  19          HB2       LYS  19 -11.201  -3.218  -1.114
  166   2HB   LYS  19          HB1       LYS  19 -12.428  -4.463  -0.928
  167   1HG   LYS  19          HG2       LYS  19 -11.158  -5.233  -2.700
  168   2HG   LYS  19          HG1       LYS  19 -12.522  -4.451  -3.501
  169   1HD   LYS  19          HD2       LYS  19 -10.925  -2.354  -3.426
  170   2HD   LYS  19          HD1       LYS  19  -9.674  -3.594  -3.316
  171   1HE   LYS  19          HE2       LYS  19 -11.805  -3.532  -5.446
  172   2HE   LYS  19          HE1       LYS  19 -10.199  -2.827  -5.642
  173   1HZ   LYS  19          HZ1       LYS  19 -10.520  -5.162  -6.520
  174   2HZ   LYS  19          HZ2       LYS  19 -10.599  -5.674  -4.910
  175   3HZ   LYS  19          HZ3       LYS  19  -9.194  -4.936  -5.493
  176   1HN   NH2  20          HN1       LYS  19 -13.385  -3.055   0.953
  177   2HN   NH2  20          HN2       LYS  19 -14.950  -2.325   0.994
  Start of MODEL   26
    1   1H    LYS   1          HT1       LYS   1 -16.739   0.651   4.224
    2   2H    LYS   1          HT2       LYS   1 -15.841  -0.781   4.293
    3   3H    LYS   1          HT3       LYS   1 -17.524  -0.846   4.146
    4    HA   LYS   1           HA       LYS   1 -17.418  -0.782   1.961
    5   1HB   LYS   1          HB2       LYS   1 -16.571   1.791   2.763
    6   2HB   LYS   1          HB1       LYS   1 -15.501   1.306   1.455
    7   1HG   LYS   1          HG2       LYS   1 -18.147   0.634   0.699
    8   2HG   LYS   1          HG1       LYS   1 -18.156   2.291   1.306
    9   1HD   LYS   1          HD2       LYS   1 -15.855   1.927  -0.339
   10   2HD   LYS   1          HD1       LYS   1 -17.275   1.349  -1.213
   11   1HE   LYS   1          HE2       LYS   1 -18.305   3.607  -0.298
   12   2HE   LYS   1          HE1       LYS   1 -16.608   4.084  -0.255
   13   1HZ   LYS   1          HZ1       LYS   1 -16.420   3.555  -2.592
   14   2HZ   LYS   1          HZ2       LYS   1 -17.677   4.663  -2.357
   15   3HZ   LYS   1          HZ3       LYS   1 -18.030   3.034  -2.643
   16    H    TRP   2           HN       TRP   2 -15.895  -0.972   0.027
   17    HA   TRP   2           HA       TRP   2 -13.803  -2.821   0.746
   18   1HB   TRP   2          HB2       TRP   2 -13.616  -3.247  -1.635
   19   2HB   TRP   2          HB1       TRP   2 -15.317  -3.221  -1.183
   20    HD1  TRP   2           HD1      TRP   2 -16.829  -1.291  -2.190
   21    HE1  TRP   2           HE1      TRP   2 -16.462   0.398  -4.097
   22    HE3  TRP   2           HE3      TRP   2 -11.775  -1.806  -2.770
   23    HZ2  TRP   2           HZ2      TRP   2 -14.312   1.382  -5.642
   24    HZ3  TRP   2           HZ3      TRP   2 -10.640  -0.454  -4.484
   25    HH2  TRP   2           HH2      TRP   2 -11.883   1.107  -5.890
   26    H    ALA   3           HN       ALA   3 -13.962   0.492   0.388
   27    HA   ALA   3           HA       ALA   3 -11.485   1.009  -0.910
   28   1HB   ALA   3          HB1       ALA   3 -13.436   2.605  -0.640
   29   2HB   ALA   3          HB2       ALA   3 -11.828   3.274  -0.363
   30   3HB   ALA   3          HB3       ALA   3 -12.863   2.870   1.007
   31    H    SER   4           HN       SER   4 -11.829  -0.663   1.778
   32    HA   SER   4           HA       SER   4  -9.734   0.676   3.323
   33   1HB   SER   4          HB2       SER   4 -11.832  -1.341   3.944
   34   2HB   SER   4          HB1       SER   4 -10.328  -1.432   4.860
   35    HG   SER   4           HG       SER   4 -11.163   1.118   4.700
   36    H    LEU   5           HN       LEU   5  -9.076  -0.554   0.806
   37    HA   LEU   5           HA       LEU   5  -7.260  -2.655   1.781
   38   1HB   LEU   5          HB2       LEU   5  -7.435  -3.796  -0.354
   39   2HB   LEU   5          HB1       LEU   5  -9.009  -3.656   0.402
   40    HG   LEU   5           HG       LEU   5  -9.172  -1.505  -1.146
   41   1HD1  LEU   5          HD11      LEU   5  -7.895  -1.470  -3.026
   42   2HD1  LEU   5          HD12      LEU   5  -7.665  -3.219  -3.038
   43   3HD1  LEU   5          HD13      LEU   5  -6.735  -2.215  -1.926
   44   1HD2  LEU   5          HD21      LEU   5 -10.834  -3.090  -1.387
   45   2HD2  LEU   5          HD22      LEU   5  -9.694  -4.384  -1.754
   46   3HD2  LEU   5          HD23      LEU   5 -10.044  -3.147  -2.962
   47    H    TRP   6           HN       TRP   6  -7.682   0.255   0.001
   48    HA   TRP   6           HA       TRP   6  -5.159   0.123  -1.375
   49   1HB   TRP   6          HB2       TRP   6  -5.818   2.012  -2.472
   50   2HB   TRP   6          HB1       TRP   6  -7.399   1.483  -1.910
   51    HD1  TRP   6           HD1      TRP   6  -8.591   2.946  -0.034
   52    HE1  TRP   6           HE1      TRP   6  -8.148   5.319   0.860
   53    HE3  TRP   6           HE3      TRP   6  -3.911   3.680  -1.959
   54    HZ2  TRP   6           HZ2      TRP   6  -6.088   7.247   0.761
   55    HZ3  TRP   6           HZ3      TRP   6  -2.774   5.816  -1.513
   56    HH2  TRP   6           HH2      TRP   6  -3.842   7.562  -0.181
   57    H    ASN   7           HN       ASN   7  -6.294   1.311   1.685
   58    HA   ASN   7           HA       ASN   7  -4.391   3.211   2.322
   59   1HB   ASN   7          HB2       ASN   7  -4.873   1.565   4.628
   60   2HB   ASN   7          HB1       ASN   7  -5.455   3.191   4.289
   61   1HD2  ASN   7          HD21      ASN   7  -6.252  -0.091   4.551
   62   2HD2  ASN   7          HD22      ASN   7  -7.906   0.026   4.067
   63    H    TRP   8           HN       TRP   8  -4.053  -0.215   2.074
   64    HA   TRP   8           HA       TRP   8  -1.286  -0.017   3.066
   65   1HB   TRP   8          HB2       TRP   8  -1.486  -2.014   4.115
   66   2HB   TRP   8          HB1       TRP   8  -3.204  -1.642   4.065
   67    HD1  TRP   8           HD1      TRP   8  -4.717  -3.058   2.389
   68    HE1  TRP   8           HE1      TRP   8  -4.307  -5.285   1.154
   69    HE3  TRP   8           HE3      TRP   8   0.338  -3.373   2.964
   70    HZ2  TRP   8           HZ2      TRP   8  -2.115  -6.953   0.512
   71    HZ3  TRP   8           HZ3      TRP   8   1.522  -5.300   2.016
   72    HH2  TRP   8           HH2      TRP   8   0.322  -7.059   0.813
   73    H    PHE   9           HN       PHE   9  -3.354  -0.955   0.442
   74    HA   PHE   9           HA       PHE   9  -1.552  -2.508  -1.052
   75   1HB   PHE   9          HB2       PHE   9  -4.158  -1.657  -1.368
   76   2HB   PHE   9          HB1       PHE   9  -3.314  -0.811  -2.659
   77    HD1  PHE   9           HD1      PHE   9  -3.159  -1.865  -4.685
   78    HD2  PHE   9           HD2      PHE   9  -3.468  -4.221  -1.156
   79    HE1  PHE   9           HE1      PHE   9  -3.216  -3.907  -6.058
   80    HE2  PHE   9           HE2      PHE   9  -3.524  -6.267  -2.520
   81    HZ   PHE   9           HZ       PHE   9  -3.398  -6.112  -4.975
   82    H    ASN  10           HN       ASN  10  -1.777   0.886  -0.490
   83    HA   ASN  10           HA       ASN  10  -0.039   1.560  -2.712
   84   1HB   ASN  10          HB2       ASN  10  -1.221   3.460  -2.555
   85   2HB   ASN  10          HB1       ASN  10  -1.882   2.980  -0.996
   86   1HD2  ASN  10          HD21      ASN  10  -0.765   3.560   0.901
   87   2HD2  ASN  10          HD22      ASN  10   0.352   4.877   0.912
   88    H    ILE  11           HN       ILE  11   0.198   0.715   0.565
   89    HA   ILE  11           HA       ILE  11   2.608   2.078   1.215
   90    HB   ILE  11           HB       ILE  11   1.530  -0.454   2.460
   91   1HG1  ILE  11          HG12      ILE  11   1.013   2.454   3.119
   92   2HG1  ILE  11          HG11      ILE  11  -0.166   1.281   2.538
   93   1HG2  ILE  11          HG21      ILE  11   3.940   0.228   2.891
   94   2HG2  ILE  11          HG22      ILE  11   2.917   0.000   4.309
   95   3HG2  ILE  11          HG23      ILE  11   3.282   1.628   3.739
   96   1HD1  ILE  11          HD11      ILE  11   0.164  -0.003   4.630
   97   2HD1  ILE  11          HD12      ILE  11  -0.484   1.617   4.883
   98   3HD1  ILE  11          HD13      ILE  11   1.218   1.287   5.208
   99    H    THR  12           HN       THR  12   1.861  -1.052  -0.192
  100    HA   THR  12           HA       THR  12   4.467  -2.152  -0.028
  101    HB   THR  12           HB       THR  12   3.496  -3.472  -2.134
  102    HG1  THR  12           HG1      THR  12   1.083  -3.521  -1.530
  103   1HG2  THR  12          HG21      THR  12   2.836  -3.721   0.777
  104   2HG2  THR  12          HG22      THR  12   3.914  -4.708  -0.210
  105   3HG2  THR  12          HG23      THR  12   2.165  -4.861  -0.389
  106    H    ASN  13           HN       ASN  13   3.528   0.529  -1.633
  107    HA   ASN  13           HA       ASN  13   5.082   0.067  -4.054
  108   1HB   ASN  13          HB2       ASN  13   3.107   2.090  -3.155
  109   2HB   ASN  13          HB1       ASN  13   4.357   2.652  -4.261
  110   1HD2  ASN  13          HD21      ASN  13   1.950   0.099  -3.833
  111   2HD2  ASN  13          HD22      ASN  13   1.585  -0.080  -5.512
  112    H    TRP  14           HN       TRP  14   5.068   2.357  -1.310
  113    HA   TRP  14           HA       TRP  14   7.719   3.280  -2.061
  114   1HB   TRP  14          HB2       TRP  14   7.373   4.655   0.148
  115   2HB   TRP  14          HB1       TRP  14   6.533   5.112  -1.328
  116    HD1  TRP  14           HD1      TRP  14   3.878   4.346  -1.459
  117    HE1  TRP  14           HE1      TRP  14   2.146   4.174   0.427
  118    HE3  TRP  14           HE3      TRP  14   7.052   4.139   2.539
  119    HZ2  TRP  14           HZ2      TRP  14   2.124   3.984   3.245
  120    HZ3  TRP  14           HZ3      TRP  14   6.095   3.967   4.798
  121    HH2  TRP  14           HH2      TRP  14   3.680   3.891   5.142
  122    H    LEU  15           HN       LEU  15   6.183   1.431   0.530
  123    HA   LEU  15           HA       LEU  15   8.421   1.215   2.204
  124   1HB   LEU  15          HB2       LEU  15   7.125  -0.127   3.465
  125   2HB   LEU  15          HB1       LEU  15   5.853   0.405   2.386
  126    HG   LEU  15           HG       LEU  15   6.574  -1.704   0.995
  127   1HD1  LEU  15          HD11      LEU  15   8.478  -2.079   2.686
  128   2HD1  LEU  15          HD12      LEU  15   7.516  -3.469   2.178
  129   3HD1  LEU  15          HD13      LEU  15   7.213  -2.711   3.741
  130   1HD2  LEU  15          HD21      LEU  15   5.040  -2.165   3.531
  131   2HD2  LEU  15          HD22      LEU  15   4.778  -2.876   1.939
  132   3HD2  LEU  15          HD23      LEU  15   4.398  -1.177   2.220
  133    H    TRP  16           HN       TRP  16   7.419  -0.607  -0.626
  134    HA   TRP  16           HA       TRP  16   9.357  -2.665  -0.431
  135   1HB   TRP  16          HB2       TRP  16   7.258  -1.956  -2.197
  136   2HB   TRP  16          HB1       TRP  16   8.719  -2.073  -3.171
  137    HD1  TRP  16           HD1      TRP  16   9.109  -4.407  -4.106
  138    HE1  TRP  16           HE1      TRP  16   8.504  -6.811  -3.413
  139    HE3  TRP  16           HE3      TRP  16   6.721  -3.403   0.298
  140    HZ2  TRP  16           HZ2      TRP  16   7.184  -8.109  -1.281
  141    HZ3  TRP  16           HZ3      TRP  16   5.814  -5.280   1.604
  142    HH2  TRP  16           HH2      TRP  16   6.041  -7.584   0.829
  143    H    TYR  17           HN       TYR  17   9.371   0.589  -1.610
  144    HA   TYR  17           HA       TYR  17  11.848   0.389  -3.047
  145   1HB   TYR  17          HB2       TYR  17  10.814   2.189  -3.942
  146   2HB   TYR  17          HB1       TYR  17   9.807   2.427  -2.520
  147    HD1  TYR  17           HD1      TYR  17  10.436   3.992  -0.802
  148    HD2  TYR  17           HD2      TYR  17  13.015   3.269  -4.109
  149    HE1  TYR  17           HE1      TYR  17  11.751   5.985  -0.206
  150    HE2  TYR  17           HE2      TYR  17  14.337   5.258  -3.521
  151    HH   TYR  17           HH       TYR  17  14.607   6.937  -2.095
  152    H    ILE  18           HN       ILE  18  10.829   1.174   0.187
  153    HA   ILE  18           HA       ILE  18  13.211   2.420   1.073
  154    HB   ILE  18           HB       ILE  18  11.024   0.997   2.593
  155   1HG1  ILE  18          HG12      ILE  18  11.568   3.931   2.728
  156   2HG1  ILE  18          HG11      ILE  18  10.785   3.296   1.284
  157   1HG2  ILE  18          HG21      ILE  18  12.255   2.651   4.397
  158   2HG2  ILE  18          HG22      ILE  18  13.618   1.986   3.498
  159   3HG2  ILE  18          HG23      ILE  18  12.474   0.904   4.293
  160   1HD1  ILE  18          HD11      ILE  18   9.634   3.934   3.789
  161   2HD1  ILE  18          HD12      ILE  18   9.473   2.195   3.539
  162   3HD1  ILE  18          HD13      ILE  18   8.844   3.321   2.335
  163    H    LYS  19           HN       LYS  19  12.080  -0.932   1.103
  164    HA   LYS  19           HA       LYS  19  14.245  -1.976   2.600
  165   1HB   LYS  19          HB2       LYS  19  12.225  -3.217   0.747
  166   2HB   LYS  19          HB1       LYS  19  13.504  -4.173   1.485
  167   1HG   LYS  19          HG2       LYS  19  12.580  -4.070   3.555
  168   2HG   LYS  19          HG1       LYS  19  11.869  -2.479   3.281
  169   1HD   LYS  19          HD2       LYS  19   9.918  -3.394   2.732
  170   2HD   LYS  19          HD1       LYS  19  10.691  -4.392   1.498
  171   1HE   LYS  19          HE2       LYS  19  10.376  -5.033   4.428
  172   2HE   LYS  19          HE1       LYS  19   9.562  -5.819   3.074
  173   1HZ   LYS  19          HZ1       LYS  19  11.654  -6.693   2.315
  174   2HZ   LYS  19          HZ2       LYS  19  11.464  -7.105   3.945
  175   3HZ   LYS  19          HZ3       LYS  19  12.505  -5.846   3.507
  176   1HN   NH2  20          HN1       LYS  19  13.654  -2.053  -0.958
  177   2HN   NH2  20          HN2       LYS  19  15.288  -2.454  -1.352
  Start of MODEL   27
    1   1H    LYS   1          HT1       LYS   1 -16.594  -1.745  -5.492
    2   2H    LYS   1          HT2       LYS   1 -14.950  -1.520  -5.162
    3   3H    LYS   1          HT3       LYS   1 -15.865  -0.249  -5.801
    4    HA   LYS   1           HA       LYS   1 -17.218  -0.199  -3.787
    5   1HB   LYS   1          HB2       LYS   1 -15.922  -2.703  -3.428
    6   2HB   LYS   1          HB1       LYS   1 -15.444  -1.670  -2.089
    7   1HG   LYS   1          HG2       LYS   1 -18.168  -1.255  -2.303
    8   2HG   LYS   1          HG1       LYS   1 -17.969  -2.981  -2.611
    9   1HD   LYS   1          HD2       LYS   1 -16.427  -2.912  -0.523
   10   2HD   LYS   1          HD1       LYS   1 -17.260  -1.396  -0.173
   11   1HE   LYS   1          HE2       LYS   1 -18.732  -3.955  -0.745
   12   2HE   LYS   1          HE1       LYS   1 -18.216  -3.505   0.880
   13   1HZ   LYS   1          HZ1       LYS   1 -20.111  -2.050  -0.877
   14   2HZ   LYS   1          HZ2       LYS   1 -19.477  -1.392   0.546
   15   3HZ   LYS   1          HZ3       LYS   1 -20.439  -2.781   0.613
   16    H    TRP   2           HN       TRP   2 -15.919   0.251  -1.417
   17    HA   TRP   2           HA       TRP   2 -14.140   2.437  -2.158
   18   1HB   TRP   2          HB2       TRP   2 -14.490   3.267   0.087
   19   2HB   TRP   2          HB1       TRP   2 -16.049   2.833  -0.607
   20    HD1  TRP   2           HD1      TRP   2 -17.315   0.714   0.439
   21    HE1  TRP   2           HE1      TRP   2 -17.054  -0.498   2.694
   22    HE3  TRP   2           HE3      TRP   2 -12.766   2.580   1.845
   23    HZ2  TRP   2           HZ2      TRP   2 -15.169  -0.645   4.791
   24    HZ3  TRP   2           HZ3      TRP   2 -11.804   1.853   3.990
   25    HH2  TRP   2           HH2      TRP   2 -12.982   0.274   5.431
   26    H    ALA   3           HN       ALA   3 -13.745  -0.731  -1.468
   27    HA   ALA   3           HA       ALA   3 -11.546  -0.593   0.374
   28   1HB   ALA   3          HB1       ALA   3 -11.255  -3.031  -0.394
   29   2HB   ALA   3          HB2       ALA   3 -12.770  -2.784  -1.261
   30   3HB   ALA   3          HB3       ALA   3 -12.717  -2.599   0.492
   31    H    SER   4           HN       SER   4 -11.421   0.919  -2.224
   32    HA   SER   4           HA       SER   4  -9.094  -0.360  -3.464
   33   1HB   SER   4          HB2       SER   4  -9.420   1.436  -5.223
   34   2HB   SER   4          HB1       SER   4 -10.734   0.268  -5.083
   35    HG   SER   4           HG       SER   4 -11.992   1.768  -4.142
   36    H    LEU   5           HN       LEU   5  -8.965   0.929  -0.854
   37    HA   LEU   5           HA       LEU   5  -6.987   3.008  -1.506
   38   1HB   LEU   5          HB2       LEU   5  -7.625   4.198   0.551
   39   2HB   LEU   5          HB1       LEU   5  -8.933   4.119  -0.614
   40    HG   LEU   5           HG       LEU   5  -9.541   1.958   0.868
   41   1HD1  LEU   5          HD11      LEU   5  -7.552   3.303   2.387
   42   2HD1  LEU   5          HD12      LEU   5  -8.490   1.873   2.816
   43   3HD1  LEU   5          HD13      LEU   5  -9.100   3.479   3.214
   44   1HD2  LEU   5          HD21      LEU   5 -10.916   3.732   2.258
   45   2HD2  LEU   5          HD22      LEU   5 -11.264   3.420   0.557
   46   3HD2  LEU   5          HD23      LEU   5 -10.303   4.826   1.017
   47    H    TRP   6           HN       TRP   6  -7.723   0.115   0.117
   48    HA   TRP   6           HA       TRP   6  -5.456   0.367   1.939
   49   1HB   TRP   6          HB2       TRP   6  -6.389  -1.283   3.222
   50   2HB   TRP   6          HB1       TRP   6  -7.847  -0.672   2.453
   51    HD1  TRP   6           HD1      TRP   6  -9.153  -2.298   0.855
   52    HE1  TRP   6           HE1      TRP   6  -8.915  -4.799   0.296
   53    HE3  TRP   6           HE3      TRP   6  -4.555  -3.156   2.917
   54    HZ2  TRP   6           HZ2      TRP   6  -7.027  -6.864   0.680
   55    HZ3  TRP   6           HZ3      TRP   6  -3.603  -5.421   2.778
   56    HH2  TRP   6           HH2      TRP   6  -4.816  -7.237   1.684
   57    H    ASN   7           HN       ASN   7  -6.421  -1.256  -0.982
   58    HA   ASN   7           HA       ASN   7  -4.607  -3.348  -1.087
   59   1HB   ASN   7          HB2       ASN   7  -4.704  -2.597  -3.698
   60   2HB   ASN   7          HB1       ASN   7  -5.949  -3.548  -2.895
   61   1HD2  ASN   7          HD21      ASN   7  -5.081  -0.106  -2.897
   62   2HD2  ASN   7          HD22      ASN   7  -6.657   0.464  -3.318
   63    H    TRP   8           HN       TRP   8  -4.021   0.026  -1.288
   64    HA   TRP   8           HA       TRP   8  -1.278  -0.464  -2.238
   65   1HB   TRP   8          HB2       TRP   8  -1.310   1.512  -3.348
   66   2HB   TRP   8          HB1       TRP   8  -3.053   1.285  -3.282
   67    HD1  TRP   8           HD1      TRP   8  -4.437   2.894  -1.690
   68    HE1  TRP   8           HE1      TRP   8  -3.844   5.112  -0.519
   69    HE3  TRP   8           HE3      TRP   8   0.633   2.729  -2.199
   70    HZ2  TRP   8           HZ2      TRP   8  -1.513   6.592   0.108
   71    HZ3  TRP   8           HZ3      TRP   8   1.976   4.570  -1.289
   72    HH2  TRP   8           HH2      TRP   8   0.927   6.466  -0.158
   73    H    PHE   9           HN       PHE   9  -3.200   0.707   0.405
   74    HA   PHE   9           HA       PHE   9  -1.200   2.141   1.785
   75   1HB   PHE   9          HB2       PHE   9  -3.896   1.391   2.243
   76   2HB   PHE   9          HB1       PHE   9  -2.968   0.844   3.636
   77    HD1  PHE   9           HD1      PHE   9  -4.086   3.742   1.712
   78    HD2  PHE   9           HD2      PHE   9  -1.903   2.421   5.116
   79    HE1  PHE   9           HE1      PHE   9  -4.103   6.034   2.605
   80    HE2  PHE   9           HE2      PHE   9  -1.915   4.711   6.018
   81    HZ   PHE   9           HZ       PHE   9  -3.018   6.521   4.762
   82    H    ASN  10           HN       ASN  10  -1.844  -1.220   1.374
   83    HA   ASN  10           HA       ASN  10  -0.051  -2.008   3.527
   84   1HB   ASN  10          HB2       ASN  10  -0.761  -4.237   3.131
   85   2HB   ASN  10          HB1       ASN  10  -2.207  -3.248   2.948
   86   1HD2  ASN  10          HD21      ASN  10   0.165  -5.193   1.328
   87   2HD2  ASN  10          HD22      ASN  10  -0.680  -5.336  -0.173
   88    H    ILE  11           HN       ILE  11   0.626  -0.581   0.888
   89    HA   ILE  11           HA       ILE  11   2.697  -2.448  -0.058
   90    HB   ILE  11           HB       ILE  11   1.591  -0.018  -1.474
   91   1HG1  ILE  11          HG12      ILE  11   1.017  -2.968  -1.780
   92   2HG1  ILE  11          HG11      ILE  11  -0.130  -1.679  -1.418
   93   1HG2  ILE  11          HG21      ILE  11   2.994  -2.001  -3.071
   94   2HG2  ILE  11          HG22      ILE  11   4.019  -1.277  -1.833
   95   3HG2  ILE  11          HG23      ILE  11   3.195  -0.250  -3.007
   96   1HD1  ILE  11          HD11      ILE  11   0.291  -0.754  -3.680
   97   2HD1  ILE  11          HD12      ILE  11  -0.421  -2.368  -3.686
   98   3HD1  ILE  11          HD13      ILE  11   1.298  -2.161  -4.022
   99    H    THR  12           HN       THR  12   2.075   0.687   1.313
  100    HA   THR  12           HA       THR  12   4.540   1.934   0.817
  101    HB   THR  12           HB       THR  12   3.812   2.938   3.267
  102    HG1  THR  12           HG1      THR  12   1.848   2.271   3.662
  103   1HG2  THR  12          HG21      THR  12   3.202   3.633   0.439
  104   2HG2  THR  12          HG22      THR  12   4.125   4.526   1.649
  105   3HG2  THR  12          HG23      THR  12   2.362   4.522   1.710
  106    H    ASN  13           HN       ASN  13   3.977  -0.849   2.558
  107    HA   ASN  13           HA       ASN  13   6.001  -0.372   4.584
  108   1HB   ASN  13          HB2       ASN  13   5.355  -3.111   4.562
  109   2HB   ASN  13          HB1       ASN  13   4.797  -1.888   5.696
  110   1HD2  ASN  13          HD21      ASN  13   2.949  -0.507   4.716
  111   2HD2  ASN  13          HD22      ASN  13   1.677  -1.414   3.978
  112    H    TRP  14           HN       TRP  14   5.585  -2.560   1.788
  113    HA   TRP  14           HA       TRP  14   8.384  -3.320   1.994
  114   1HB   TRP  14          HB2       TRP  14   7.764  -4.709  -0.107
  115   2HB   TRP  14          HB1       TRP  14   7.152  -5.208   1.463
  116    HD1  TRP  14           HD1      TRP  14   4.499  -4.377   1.952
  117    HE1  TRP  14           HE1      TRP  14   2.528  -4.391   0.307
  118    HE3  TRP  14           HE3      TRP  14   7.107  -4.487  -2.437
  119    HZ2  TRP  14           HZ2      TRP  14   2.125  -4.448  -2.487
  120    HZ3  TRP  14           HZ3      TRP  14   5.856  -4.523  -4.554
  121    HH2  TRP  14           HH2      TRP  14   3.415  -4.502  -4.577
  122    H    LEU  15           HN       LEU  15   6.257  -1.591  -0.248
  123    HA   LEU  15           HA       LEU  15   8.089  -1.178  -2.303
  124   1HB   LEU  15          HB2       LEU  15   6.507   0.136  -3.219
  125   2HB   LEU  15          HB1       LEU  15   5.510  -0.495  -1.926
  126    HG   LEU  15           HG       LEU  15   6.413   1.613  -0.633
  127   1HD1  LEU  15          HD11      LEU  15   6.787   3.520  -2.042
  128   2HD1  LEU  15          HD12      LEU  15   6.522   2.553  -3.493
  129   3HD1  LEU  15          HD13      LEU  15   7.939   2.258  -2.485
  130   1HD2  LEU  15          HD21      LEU  15   4.413   2.762  -1.214
  131   2HD2  LEU  15          HD22      LEU  15   4.057   1.036  -1.278
  132   3HD2  LEU  15          HD23      LEU  15   4.320   1.939  -2.770
  133    H    TRP  16           HN       TRP  16   7.670   0.479   0.759
  134    HA   TRP  16           HA       TRP  16   9.415   2.651   0.223
  135   1HB   TRP  16          HB2       TRP  16   7.780   1.818   2.363
  136   2HB   TRP  16          HB1       TRP  16   9.413   1.905   3.014
  137    HD1  TRP  16           HD1      TRP  16   9.894   4.180   4.051
  138    HE1  TRP  16           HE1      TRP  16   9.177   6.612   3.605
  139    HE3  TRP  16           HE3      TRP  16   6.852   3.407   0.014
  140    HZ2  TRP  16           HZ2      TRP  16   7.539   8.016   1.785
  141    HZ3  TRP  16           HZ3      TRP  16   5.748   5.347  -1.020
  142    HH2  TRP  16           HH2      TRP  16   6.085   7.603  -0.152
  143    H    TYR  17           HN       TYR  17   9.836  -0.623   1.321
  144    HA   TYR  17           HA       TYR  17  12.539  -0.364   2.183
  145   1HB   TYR  17          HB2       TYR  17  11.733  -2.280   3.107
  146   2HB   TYR  17          HB1       TYR  17  10.578  -2.540   1.805
  147    HD1  TYR  17           HD1      TYR  17  14.121  -2.996   2.789
  148    HD2  TYR  17           HD2      TYR  17  11.041  -4.066   0.055
  149    HE1  TYR  17           HE1      TYR  17  15.544  -4.793   1.899
  150    HE2  TYR  17           HE2      TYR  17  12.456  -5.866  -0.843
  151    HH   TYR  17           HH       TYR  17  14.991  -6.327  -0.973
  152    H    ILE  18           HN       ILE  18  10.942  -0.953  -0.848
  153    HA   ILE  18           HA       ILE  18  13.173  -1.949  -2.289
  154    HB   ILE  18           HB       ILE  18  10.669  -0.570  -3.274
  155   1HG1  ILE  18          HG12      ILE  18  11.291  -3.500  -3.494
  156   2HG1  ILE  18          HG11      ILE  18  10.620  -2.850  -2.002
  157   1HG2  ILE  18          HG21      ILE  18  11.268  -1.735  -5.443
  158   2HG2  ILE  18          HG22      ILE  18  12.877  -1.970  -4.761
  159   3HG2  ILE  18          HG23      ILE  18  12.254  -0.339  -5.008
  160   1HD1  ILE  18          HD11      ILE  18   8.586  -2.887  -2.861
  161   2HD1  ILE  18          HD12      ILE  18   9.247  -3.652  -4.306
  162   3HD1  ILE  18          HD13      ILE  18   9.101  -1.896  -4.226
  163    H    LYS  19           HN       LYS  19  11.802   1.293  -1.873
  164    HA   LYS  19           HA       LYS  19  13.818   2.498  -3.555
  165   1HB   LYS  19          HB2       LYS  19  11.616   3.658  -1.848
  166   2HB   LYS  19          HB1       LYS  19  12.740   4.646  -2.772
  167   1HG   LYS  19          HG2       LYS  19  11.827   2.875  -4.651
  168   2HG   LYS  19          HG1       LYS  19  10.400   3.151  -3.650
  169   1HD   LYS  19          HD2       LYS  19  12.053   5.466  -4.574
  170   2HD   LYS  19          HD1       LYS  19  10.887   4.721  -5.670
  171   1HE   LYS  19          HE2       LYS  19   9.109   5.522  -4.533
  172   2HE   LYS  19          HE1       LYS  19   9.888   5.310  -2.964
  173   1HZ   LYS  19          HZ1       LYS  19  10.281   7.545  -4.881
  174   2HZ   LYS  19          HZ2       LYS  19  11.273   7.296  -3.535
  175   3HZ   LYS  19          HZ3       LYS  19   9.628   7.630  -3.321
  176   1HN   NH2  20          HN1       LYS  19  12.932   3.099  -0.113
  177   2HN   NH2  20          HN2       LYS  19  14.548   3.464   0.377
  Start of MODEL   28
    1   1H    LYS   1          HT1       LYS   1  18.594   1.062   2.683
    2   2H    LYS   1          HT2       LYS   1  17.297   1.911   3.360
    3   3H    LYS   1          HT3       LYS   1  18.100   2.533   2.009
    4    HA   LYS   1           HA       LYS   1  17.243   0.924   0.578
    5   1HB   LYS   1          HB2       LYS   1  17.219  -0.598   3.013
    6   2HB   LYS   1          HB1       LYS   1  15.641  -0.710   2.246
    7   1HG   LYS   1          HG2       LYS   1  18.233  -1.261   0.823
    8   2HG   LYS   1          HG1       LYS   1  17.251  -2.502   1.604
    9   1HD   LYS   1          HD2       LYS   1  15.456  -2.166   0.108
   10   2HD   LYS   1          HD1       LYS   1  16.137  -0.650  -0.487
   11   1HE   LYS   1          HE2       LYS   1  17.297  -1.719  -2.053
   12   2HE   LYS   1          HE1       LYS   1  18.014  -2.793  -0.853
   13   1HZ   LYS   1          HZ1       LYS   1  16.062  -3.388  -2.775
   14   2HZ   LYS   1          HZ2       LYS   1  15.368  -3.592  -1.247
   15   3HZ   LYS   1          HZ3       LYS   1  16.781  -4.429  -1.652
   16    H    TRP   2           HN       TRP   2  15.241   1.143  -0.389
   17    HA   TRP   2           HA       TRP   2  13.299   2.770   1.110
   18   1HB   TRP   2          HB2       TRP   2  12.551   3.644  -1.048
   19   2HB   TRP   2          HB1       TRP   2  14.280   3.900  -0.843
   20    HD1  TRP   2           HD1      TRP   2  15.925   2.557  -2.457
   21    HE1  TRP   2           HE1      TRP   2  15.536   1.331  -4.686
   22    HE3  TRP   2           HE3      TRP   2  10.823   2.221  -2.326
   23    HZ2  TRP   2           HZ2      TRP   2  13.358   0.353  -6.189
   24    HZ3  TRP   2           HZ3      TRP   2   9.665   1.127  -4.200
   25    HH2  TRP   2           HH2      TRP   2  10.908   0.212  -6.091
   26    H    ALA   3           HN       ALA   3  13.753  -0.315   0.374
   27    HA   ALA   3           HA       ALA   3  11.286  -1.046  -0.863
   28   1HB   ALA   3          HB1       ALA   3  12.454  -2.906  -1.161
   29   2HB   ALA   3          HB2       ALA   3  12.271  -3.259   0.557
   30   3HB   ALA   3          HB3       ALA   3  13.681  -2.367  -0.015
   31    H    SER   4           HN       SER   4  11.496   0.486   1.869
   32    HA   SER   4           HA       SER   4   9.689  -1.260   3.387
   33   1HB   SER   4          HB2       SER   4  11.312   1.130   4.286
   34   2HB   SER   4          HB1       SER   4  10.204   0.226   5.317
   35    HG   SER   4           HG       SER   4  11.811  -1.524   4.163
   36    H    LEU   5           HN       LEU   5   9.073   0.555   1.048
   37    HA   LEU   5           HA       LEU   5   6.955   2.105   2.383
   38   1HB   LEU   5          HB2       LEU   5   7.071   3.756   0.599
   39   2HB   LEU   5          HB1       LEU   5   8.607   3.618   1.431
   40    HG   LEU   5           HG       LEU   5   9.121   1.948  -0.581
   41   1HD1  LEU   5          HD11      LEU   5   6.634   3.021  -1.329
   42   2HD1  LEU   5          HD12      LEU   5   7.719   2.024  -2.296
   43   3HD1  LEU   5          HD13      LEU   5   7.841   3.782  -2.366
   44   1HD2  LEU   5          HD21      LEU   5  10.499   3.829  -0.070
   45   2HD2  LEU   5          HD22      LEU   5   9.263   4.957  -0.628
   46   3HD2  LEU   5          HD23      LEU   5  10.091   3.914  -1.784
   47    H    TRP   6           HN       TRP   6   7.591  -0.501   0.470
   48    HA   TRP   6           HA       TRP   6   5.276  -0.203  -1.262
   49   1HB   TRP   6          HB2       TRP   6   6.123  -1.908  -2.529
   50   2HB   TRP   6          HB1       TRP   6   7.615  -1.376  -1.767
   51    HD1  TRP   6           HD1      TRP   6   8.849  -3.075  -0.198
   52    HE1  TRP   6           HE1      TRP   6   8.462  -5.549   0.396
   53    HE3  TRP   6           HE3      TRP   6   4.156  -3.654  -2.141
   54    HZ2  TRP   6           HZ2      TRP   6   6.436  -7.489   0.084
   55    HZ3  TRP   6           HZ3      TRP   6   3.062  -5.849  -1.949
   56    HH2  TRP   6           HH2      TRP   6   4.181  -7.728  -0.861
   57    H    ASN   7           HN       ASN   7   6.221  -1.857   1.658
   58    HA   ASN   7           HA       ASN   7   4.262  -3.815   1.828
   59   1HB   ASN   7          HB2       ASN   7   4.711  -2.550   4.404
   60   2HB   ASN   7          HB1       ASN   7   5.137  -4.170   3.864
   61   1HD2  ASN   7          HD21      ASN   7   6.320  -1.253   4.882
   62   2HD2  ASN   7          HD22      ASN   7   7.950  -1.409   4.335
   63    H    TRP   8           HN       TRP   8   4.000  -0.400   2.103
   64    HA   TRP   8           HA       TRP   8   1.218  -0.648   3.024
   65   1HB   TRP   8          HB2       TRP   8   1.452   1.255   4.230
   66   2HB   TRP   8          HB1       TRP   8   3.169   0.885   4.121
   67    HD1  TRP   8           HD1      TRP   8   4.663   2.436   2.575
   68    HE1  TRP   8           HE1      TRP   8   4.244   4.739   1.495
   69    HE3  TRP   8           HE3      TRP   8  -0.397   2.690   3.171
   70    HZ2  TRP   8           HZ2      TRP   8   2.043   6.437   0.967
   71    HZ3  TRP   8           HZ3      TRP   8  -1.588   4.674   2.355
   72    HH2  TRP   8           HH2      TRP   8  -0.394   6.513   1.275
   73    H    PHE   9           HN       PHE   9   3.291   0.457   0.461
   74    HA   PHE   9           HA       PHE   9   1.446   2.103  -0.898
   75   1HB   PHE   9          HB2       PHE   9   4.077   1.445  -1.276
   76   2HB   PHE   9          HB1       PHE   9   3.304   0.585  -2.602
   77    HD1  PHE   9           HD1      PHE   9   3.914   3.891  -1.116
   78    HD2  PHE   9           HD2      PHE   9   2.353   1.755  -4.450
   79    HE1  PHE   9           HE1      PHE   9   3.811   5.985  -2.405
   80    HE2  PHE   9           HE2      PHE   9   2.250   3.845  -5.745
   81    HZ   PHE   9           HZ       PHE   9   2.979   5.963  -4.722
   82    H    ASN  10           HN       ASN  10   1.793  -1.318  -0.621
   83    HA   ASN  10           HA       ASN  10   0.113  -1.903  -2.901
   84   1HB   ASN  10          HB2       ASN  10   0.905  -4.005  -2.709
   85   2HB   ASN  10          HB1       ASN  10   2.025  -3.346  -1.522
   86   1HD2  ASN  10          HD21      ASN  10   1.143  -3.243   0.739
   87   2HD2  ASN  10          HD22      ASN  10   0.213  -4.596   1.278
   88    H    ILE  11           HN       ILE  11  -0.243  -1.102   0.357
   89    HA   ILE  11           HA       ILE  11  -2.714  -2.445   0.871
   90    HB   ILE  11           HB       ILE  11  -1.583  -0.035   2.298
   91   1HG1  ILE  11          HG12      ILE  11  -1.182  -2.990   2.814
   92   2HG1  ILE  11          HG11      ILE  11   0.054  -1.835   2.317
   93   1HG2  ILE  11          HG21      ILE  11  -3.061  -1.800   3.973
   94   2HG2  ILE  11          HG22      ILE  11  -4.038  -1.418   2.555
   95   3HG2  ILE  11          HG23      ILE  11  -3.403  -0.119   3.565
   96   1HD1  ILE  11          HD11      ILE  11   0.528  -1.533   4.454
   97   2HD1  ILE  11          HD12      ILE  11  -0.846  -2.521   4.948
   98   3HD1  ILE  11          HD13      ILE  11  -1.060  -0.794   4.662
   99    H    THR  12           HN       THR  12  -1.766   0.664  -0.422
  100    HA   THR  12           HA       THR  12  -4.311   1.917  -0.248
  101    HB   THR  12           HB       THR  12  -3.131   3.163  -2.372
  102    HG1  THR  12           HG1      THR  12  -0.838   3.026  -1.012
  103   1HG2  THR  12          HG21      THR  12  -2.771   3.552   0.590
  104   2HG2  THR  12          HG22      THR  12  -3.858   4.407  -0.505
  105   3HG2  THR  12          HG23      THR  12  -2.118   4.684  -0.594
  106    H    ASN  13           HN       ASN  13  -3.569  -0.788  -1.850
  107    HA   ASN  13           HA       ASN  13  -5.008  -0.178  -4.314
  108   1HB   ASN  13          HB2       ASN  13  -3.326  -2.472  -3.370
  109   2HB   ASN  13          HB1       ASN  13  -4.461  -2.716  -4.694
  110   1HD2  ASN  13          HD21      ASN  13  -1.386  -1.723  -3.849
  111   2HD2  ASN  13          HD22      ASN  13  -0.930  -0.983  -5.342
  112    H    TRP  14           HN       TRP  14  -5.236  -2.338  -1.499
  113    HA   TRP  14           HA       TRP  14  -7.945  -3.083  -2.301
  114   1HB   TRP  14          HB2       TRP  14  -7.701  -4.546  -0.137
  115   2HB   TRP  14          HB1       TRP  14  -6.912  -5.034  -1.630
  116    HD1  TRP  14           HD1      TRP  14  -4.196  -4.362  -1.766
  117    HE1  TRP  14           HE1      TRP  14  -2.446  -4.439   0.109
  118    HE3  TRP  14           HE3      TRP  14  -7.330  -4.300   2.269
  119    HZ2  TRP  14           HZ2      TRP  14  -2.397  -4.475   2.933
  120    HZ3  TRP  14           HZ3      TRP  14  -6.352  -4.360   4.525
  121    HH2  TRP  14           HH2      TRP  14  -3.934  -4.445   4.848
  122    H    LEU  15           HN       LEU  15  -6.210  -1.512   0.348
  123    HA   LEU  15           HA       LEU  15  -8.384  -1.102   2.055
  124   1HB   LEU  15          HB2       LEU  15  -6.931   0.059   3.320
  125   2HB   LEU  15          HB1       LEU  15  -5.739  -0.536   2.184
  126    HG   LEU  15           HG       LEU  15  -6.350   1.688   0.897
  127   1HD1  LEU  15          HD11      LEU  15  -7.983   2.015   3.043
  128   2HD1  LEU  15          HD12      LEU  15  -7.347   3.329   2.052
  129   3HD1  LEU  15          HD13      LEU  15  -6.543   2.894   3.560
  130   1HD2  LEU  15          HD21      LEU  15  -4.169   0.890   1.996
  131   2HD2  LEU  15          HD22      LEU  15  -4.636   1.930   3.341
  132   3HD2  LEU  15          HD23      LEU  15  -4.388   2.621   1.738
  133    H    TRP  16           HN       TRP  16  -7.248   0.692  -0.745
  134    HA   TRP  16           HA       TRP  16  -8.956   2.928  -0.473
  135   1HB   TRP  16          HB2       TRP  16  -6.993   2.032  -2.308
  136   2HB   TRP  16          HB1       TRP  16  -8.459   2.312  -3.242
  137    HD1  TRP  16           HD1      TRP  16  -8.521   4.668  -4.203
  138    HE1  TRP  16           HE1      TRP  16  -7.690   6.993  -3.477
  139    HE3  TRP  16           HE3      TRP  16  -6.394   3.411   0.274
  140    HZ2  TRP  16           HZ2      TRP  16  -6.314   8.143  -1.295
  141    HZ3  TRP  16           HZ3      TRP  16  -5.342   5.182   1.619
  142    HH2  TRP  16           HH2      TRP  16  -5.302   7.499   0.849
  143    H    TYR  17           HN       TYR  17  -9.356  -0.287  -1.702
  144    HA   TYR  17           HA       TYR  17 -11.835   0.197  -3.058
  145   1HB   TYR  17          HB2       TYR  17 -11.035  -1.702  -3.989
  146   2HB   TYR  17          HB1       TYR  17 -10.025  -2.064  -2.595
  147    HD1  TYR  17           HD1      TYR  17 -10.724  -3.632  -0.945
  148    HD2  TYR  17           HD2      TYR  17 -13.411  -2.451  -4.025
  149    HE1  TYR  17           HE1      TYR  17 -12.240  -5.463  -0.316
  150    HE2  TYR  17           HE2      TYR  17 -14.935  -4.278  -3.404
  151    HH   TYR  17           HH       TYR  17 -14.560  -6.653  -2.179
  152    H    ILE  18           HN       ILE  18 -10.824  -0.696   0.149
  153    HA   ILE  18           HA       ILE  18 -13.352  -1.626   1.080
  154    HB   ILE  18           HB       ILE  18 -11.026  -0.539   2.677
  155   1HG1  ILE  18          HG12      ILE  18 -11.679  -3.447   2.277
  156   2HG1  ILE  18          HG11      ILE  18 -10.684  -2.581   1.111
  157   1HG2  ILE  18          HG21      ILE  18 -13.194  -2.402   3.616
  158   2HG2  ILE  18          HG22      ILE  18 -13.280  -0.651   3.810
  159   3HG2  ILE  18          HG23      ILE  18 -11.983  -1.561   4.584
  160   1HD1  ILE  18          HD11      ILE  18 -10.085  -3.361   3.912
  161   2HD1  ILE  18          HD12      ILE  18  -9.337  -1.903   3.260
  162   3HD1  ILE  18          HD13      ILE  18  -9.076  -3.456   2.468
  163    H    LYS  19           HN       LYS  19 -11.578   1.430   1.563
  164    HA   LYS  19           HA       LYS  19 -13.691   2.723   2.940
  165   1HB   LYS  19          HB2       LYS  19 -11.216   3.724   1.549
  166   2HB   LYS  19          HB1       LYS  19 -12.370   4.827   2.286
  167   1HG   LYS  19          HG2       LYS  19 -11.917   4.056   4.437
  168   2HG   LYS  19          HG1       LYS  19 -11.164   2.573   3.846
  169   1HD   LYS  19          HD2       LYS  19  -9.308   3.895   2.932
  170   2HD   LYS  19          HD1       LYS  19 -10.059   5.367   3.551
  171   1HE   LYS  19          HE2       LYS  19  -9.831   3.389   5.631
  172   2HE   LYS  19          HE1       LYS  19  -8.262   3.676   4.876
  173   1HZ   LYS  19          HZ1       LYS  19  -8.533   6.045   5.282
  174   2HZ   LYS  19          HZ2       LYS  19  -8.651   5.187   6.735
  175   3HZ   LYS  19          HZ3       LYS  19 -10.048   5.781   5.988
  176   1HN   NH2  20          HN1       LYS  19 -13.669   2.133  -0.631
  177   2HN   NH2  20          HN2       LYS  19 -13.388   3.812  -0.923
  Start of MODEL   29
    1   1H    LYS   1          HT1       LYS   1 -14.963  -1.774   5.857
    2   2H    LYS   1          HT2       LYS   1 -16.311  -0.782   6.105
    3   3H    LYS   1          HT3       LYS   1 -14.795  -0.091   5.814
    4    HA   LYS   1           HA       LYS   1 -16.562  -1.518   3.931
    5   1HB   LYS   1          HB2       LYS   1 -16.172   1.147   4.535
    6   2HB   LYS   1          HB1       LYS   1 -15.151   0.919   3.121
    7   1HG   LYS   1          HG2       LYS   1 -17.556  -0.355   2.505
    8   2HG   LYS   1          HG1       LYS   1 -18.009   1.155   3.298
    9   1HD   LYS   1          HD2       LYS   1 -16.536   2.379   1.743
   10   2HD   LYS   1          HD1       LYS   1 -16.164   0.858   0.928
   11   1HE   LYS   1          HE2       LYS   1 -18.652   0.609   0.545
   12   2HE   LYS   1          HE1       LYS   1 -18.812   2.278   1.089
   13   1HZ   LYS   1          HZ1       LYS   1 -17.491   3.029  -0.715
   14   2HZ   LYS   1          HZ2       LYS   1 -18.651   1.984  -1.365
   15   3HZ   LYS   1          HZ3       LYS   1 -17.059   1.453  -1.157
   16    H    TRP   2           HN       TRP   2 -15.464  -1.122   1.603
   17    HA   TRP   2           HA       TRP   2 -13.009  -2.688   1.705
   18   1HB   TRP   2          HB2       TRP   2 -13.421  -3.269  -0.547
   19   2HB   TRP   2          HB1       TRP   2 -15.007  -3.257   0.213
   20    HD1  TRP   2           HD1      TRP   2 -16.656  -1.198  -0.433
   21    HE1  TRP   2           HE1      TRP   2 -16.739   0.294  -2.529
   22    HE3  TRP   2           HE3      TRP   2 -11.999  -2.162  -2.307
   23    HZ2  TRP   2           HZ2      TRP   2 -15.053   0.969  -4.690
   24    HZ3  TRP   2           HZ3      TRP   2 -11.311  -1.054  -4.392
   25    HH2  TRP   2           HH2      TRP   2 -12.809   0.480  -5.558
   26    H    ALA   3           HN       ALA   3 -13.768   0.504   1.687
   27    HA   ALA   3           HA       ALA   3 -11.841   1.446  -0.225
   28   1HB   ALA   3          HB1       ALA   3 -13.487   2.824   1.880
   29   2HB   ALA   3          HB2       ALA   3 -13.695   2.863   0.129
   30   3HB   ALA   3          HB3       ALA   3 -12.318   3.676   0.872
   31    H    SER   4           HN       SER   4 -10.943  -0.353   2.002
   32    HA   SER   4           HA       SER   4  -8.775   1.385   2.935
   33   1HB   SER   4          HB2       SER   4  -9.799  -0.764   4.749
   34   2HB   SER   4          HB1       SER   4  -8.911   0.709   5.146
   35    HG   SER   4           HG       SER   4 -11.110   0.872   5.730
   36    H    LEU   5           HN       LEU   5  -9.252  -0.857   0.885
   37    HA   LEU   5           HA       LEU   5  -7.150  -2.696   1.779
   38   1HB   LEU   5          HB2       LEU   5  -7.780  -4.088  -0.149
   39   2HB   LEU   5          HB1       LEU   5  -9.119  -3.810   0.945
   40    HG   LEU   5           HG       LEU   5  -9.649  -1.851  -0.769
   41   1HD1  LEU   5          HD11      LEU   5  -7.480  -2.758  -2.022
   42   2HD1  LEU   5          HD12      LEU   5  -8.861  -2.083  -2.886
   43   3HD1  LEU   5          HD13      LEU   5  -8.678  -3.831  -2.746
   44   1HD2  LEU   5          HD21      LEU   5 -10.844  -3.822  -2.121
   45   2HD2  LEU   5          HD22      LEU   5 -11.382  -3.291  -0.527
   46   3HD2  LEU   5          HD23      LEU   5 -10.361  -4.720  -0.683
   47    H    TRP   6           HN       TRP   6  -7.762  -0.041  -0.258
   48    HA   TRP   6           HA       TRP   6  -5.456  -0.504  -1.964
   49   1HB   TRP   6          HB2       TRP   6  -6.215   1.255  -3.278
   50   2HB   TRP   6          HB1       TRP   6  -7.727   0.638  -2.620
   51    HD1  TRP   6           HD1      TRP   6  -9.058   2.196  -0.931
   52    HE1  TRP   6           HE1      TRP   6  -8.850   4.687  -0.321
   53    HE3  TRP   6           HE3      TRP   6  -4.467   3.151  -2.968
   54    HZ2  TRP   6           HZ2      TRP   6  -6.986   6.781  -0.656
   55    HZ3  TRP   6           HZ3      TRP   6  -3.541   5.423  -2.777
   56    HH2  TRP   6           HH2      TRP   6  -4.777   7.200  -1.647
   57    H    ASN   7           HN       ASN   7  -6.334   1.117   0.921
   58    HA   ASN   7           HA       ASN   7  -4.544   3.206   1.103
   59   1HB   ASN   7          HB2       ASN   7  -5.755   1.379   3.155
   60   2HB   ASN   7          HB1       ASN   7  -4.617   2.635   3.632
   61   1HD2  ASN   7          HD21      ASN   7  -5.139   4.829   2.799
   62   2HD2  ASN   7          HD22      ASN   7  -6.796   5.314   2.811
   63    H    TRP   8           HN       TRP   8  -3.964  -0.196   1.357
   64    HA   TRP   8           HA       TRP   8  -1.194   0.304   2.194
   65   1HB   TRP   8          HB2       TRP   8  -1.206  -1.677   3.298
   66   2HB   TRP   8          HB1       TRP   8  -2.949  -1.437   3.270
   67    HD1  TRP   8           HD1      TRP   8  -4.380  -3.031   1.695
   68    HE1  TRP   8           HE1      TRP   8  -3.824  -5.255   0.515
   69    HE3  TRP   8           HE3      TRP   8   0.698  -2.916   2.128
   70    HZ2  TRP   8           HZ2      TRP   8  -1.520  -6.759  -0.143
   71    HZ3  TRP   8           HZ3      TRP   8   2.009  -4.770   1.202
   72    HH2  TRP   8           HH2      TRP   8   0.925  -6.658   0.088
   73    H    PHE   9           HN       PHE   9  -3.157  -0.839  -0.416
   74    HA   PHE   9           HA       PHE   9  -1.227  -2.312  -1.837
   75   1HB   PHE   9          HB2       PHE   9  -3.894  -1.524  -2.231
   76   2HB   PHE   9          HB1       PHE   9  -3.006  -0.891  -3.613
   77    HD1  PHE   9           HD1      PHE   9  -2.037  -2.362  -5.242
   78    HD2  PHE   9           HD2      PHE   9  -4.014  -3.917  -1.810
   79    HE1  PHE   9           HE1      PHE   9  -2.082  -4.591  -6.283
   80    HE2  PHE   9           HE2      PHE   9  -4.061  -6.149  -2.843
   81    HZ   PHE   9           HZ       PHE   9  -3.095  -6.489  -5.082
   82    H    ASN  10           HN       ASN  10  -1.739   1.085  -1.422
   83    HA   ASN  10           HA       ASN  10   0.020   1.803  -3.620
   84   1HB   ASN  10          HB2       ASN  10  -0.494   4.097  -3.067
   85   2HB   ASN  10          HB1       ASN  10  -1.995   3.176  -3.061
   86   1HD2  ASN  10          HD21      ASN  10   0.478   4.612  -1.027
   87   2HD2  ASN  10          HD22      ASN  10  -0.510   4.774   0.381
   88    H    ILE  11           HN       ILE  11   0.318   0.848  -0.444
   89    HA   ILE  11           HA       ILE  11   2.624   2.460   0.227
   90    HB   ILE  11           HB       ILE  11   1.564   0.033   1.678
   91   1HG1  ILE  11          HG12      ILE  11   0.877   2.963   1.984
   92   2HG1  ILE  11          HG11      ILE  11  -0.217   1.659   1.530
   93   1HG2  ILE  11          HG21      ILE  11   3.202   0.345   3.146
   94   2HG2  ILE  11          HG22      ILE  11   2.816   2.059   3.298
   95   3HG2  ILE  11          HG23      ILE  11   3.907   1.510   2.025
   96   1HD1  ILE  11          HD11      ILE  11   0.886   0.921   3.998
   97   2HD1  ILE  11          HD12      ILE  11  -0.761   1.455   3.662
   98   3HD1  ILE  11          HD13      ILE  11   0.469   2.629   4.130
   99    H    THR  12           HN       THR  12   1.951  -0.683  -1.113
  100    HA   THR  12           HA       THR  12   4.450  -1.904  -0.647
  101    HB   THR  12           HB       THR  12   3.496  -2.903  -3.095
  102    HG1  THR  12           HG1      THR  12   1.333  -2.530  -1.284
  103   1HG2  THR  12          HG21      THR  12   3.870  -4.738  -1.892
  104   2HG2  THR  12          HG22      THR  12   2.412  -4.413  -0.955
  105   3HG2  THR  12          HG23      THR  12   3.965  -3.771  -0.420
  106    H    ASN  13           HN       ASN  13   3.850   0.831  -2.372
  107    HA   ASN  13           HA       ASN  13   5.749   0.302  -4.516
  108   1HB   ASN  13          HB2       ASN  13   3.811   2.490  -3.893
  109   2HB   ASN  13          HB1       ASN  13   5.186   2.856  -4.931
  110   1HD2  ASN  13          HD21      ASN  13   2.574   0.500  -4.523
  111   2HD2  ASN  13          HD22      ASN  13   2.300   0.254  -6.211
  112    H    TRP  14           HN       TRP  14   5.429   2.440  -1.689
  113    HA   TRP  14           HA       TRP  14   8.209   3.272  -2.038
  114   1HB   TRP  14          HB2       TRP  14   7.590   4.742   0.028
  115   2HB   TRP  14          HB1       TRP  14   7.002   5.185  -1.568
  116    HD1  TRP  14           HD1      TRP  14   4.354   4.304  -2.064
  117    HE1  TRP  14           HE1      TRP  14   2.359   4.391  -0.451
  118    HE3  TRP  14           HE3      TRP  14   6.901   4.664   2.351
  119    HZ2  TRP  14           HZ2      TRP  14   1.918   4.594   2.333
  120    HZ3  TRP  14           HZ3      TRP  14   5.619   4.805   4.445
  121    HH2  TRP  14           HH2      TRP  14   3.177   4.771   4.435
  122    H    LEU  15           HN       LEU  15   6.118   1.644   0.306
  123    HA   LEU  15           HA       LEU  15   7.979   1.312   2.354
  124   1HB   LEU  15          HB2       LEU  15   6.403   0.038   3.341
  125   2HB   LEU  15          HB1       LEU  15   5.391   0.623   2.037
  126    HG   LEU  15           HG       LEU  15   6.276  -1.536   0.813
  127   1HD1  LEU  15          HD11      LEU  15   7.717  -1.941   2.964
  128   2HD1  LEU  15          HD12      LEU  15   6.956  -3.291   2.118
  129   3HD1  LEU  15          HD13      LEU  15   6.215  -2.636   3.578
  130   1HD2  LEU  15          HD21      LEU  15   4.215  -1.835   2.979
  131   2HD2  LEU  15          HD22      LEU  15   4.272  -2.629   1.406
  132   3HD2  LEU  15          HD23      LEU  15   3.925  -0.903   1.510
  133    H    TRP  16           HN       TRP  16   7.482  -0.464  -0.625
  134    HA   TRP  16           HA       TRP  16   9.204  -2.636  -0.067
  135   1HB   TRP  16          HB2       TRP  16   7.552  -1.838  -2.191
  136   2HB   TRP  16          HB1       TRP  16   9.172  -1.914  -2.874
  137    HD1  TRP  16           HD1      TRP  16   9.704  -4.197  -3.864
  138    HE1  TRP  16           HE1      TRP  16   9.000  -6.630  -3.404
  139    HE3  TRP  16           HE3      TRP  16   6.608  -3.407   0.128
  140    HZ2  TRP  16           HZ2      TRP  16   7.349  -8.029  -1.591
  141    HZ3  TRP  16           HZ3      TRP  16   5.504  -5.346   1.166
  142    HH2  TRP  16           HH2      TRP  16   5.867  -7.608   0.322
  143    H    TYR  17           HN       TYR  17   9.671   0.595  -1.287
  144    HA   TYR  17           HA       TYR  17  12.369   0.270  -2.133
  145   1HB   TYR  17          HB2       TYR  17  11.597   2.169  -3.116
  146   2HB   TYR  17          HB1       TYR  17  10.434   2.477  -1.832
  147    HD1  TYR  17           HD1      TYR  17  13.980   2.892  -2.816
  148    HD2  TYR  17           HD2      TYR  17  10.905   4.035  -0.107
  149    HE1  TYR  17           HE1      TYR  17  15.408   4.706  -1.967
  150    HE2  TYR  17           HE2      TYR  17  12.324   5.851   0.749
  151    HH   TYR  17           HH       TYR  17  14.524   6.587   0.834
  152    H    ILE  18           HN       ILE  18  10.781   0.979   0.876
  153    HA   ILE  18           HA       ILE  18  13.114   1.896   2.264
  154    HB   ILE  18           HB       ILE  18  10.530   0.840   3.424
  155   1HG1  ILE  18          HG12      ILE  18  11.207   3.749   3.090
  156   2HG1  ILE  18          HG11      ILE  18  10.472   2.851   1.766
  157   1HG2  ILE  18          HG21      ILE  18  12.809   1.249   4.766
  158   2HG2  ILE  18          HG22      ILE  18  11.216   1.542   5.463
  159   3HG2  ILE  18          HG23      ILE  18  12.153   2.885   4.810
  160   1HD1  ILE  18          HD11      ILE  18   8.685   3.860   2.866
  161   2HD1  ILE  18          HD12      ILE  18   9.333   3.479   4.462
  162   3HD1  ILE  18          HD13      ILE  18   8.671   2.196   3.448
  163    H    LYS  19           HN       LYS  19  11.413  -1.172   1.920
  164    HA   LYS  19           HA       LYS  19  13.118  -2.534   3.806
  165   1HB   LYS  19          HB2       LYS  19  10.634  -3.062   2.489
  166   2HB   LYS  19          HB1       LYS  19  11.736  -4.392   2.161
  167   1HG   LYS  19          HG2       LYS  19  12.140  -4.141   4.792
  168   2HG   LYS  19          HG1       LYS  19  10.481  -3.548   4.694
  169   1HD   LYS  19          HD2       LYS  19  10.791  -5.912   3.087
  170   2HD   LYS  19          HD1       LYS  19  11.350  -6.217   4.732
  171   1HE   LYS  19          HE2       LYS  19   9.222  -5.342   5.599
  172   2HE   LYS  19          HE1       LYS  19   8.666  -5.086   3.944
  173   1HZ   LYS  19          HZ1       LYS  19   8.856  -7.474   3.555
  174   2HZ   LYS  19          HZ2       LYS  19   7.806  -7.159   4.844
  175   3HZ   LYS  19          HZ3       LYS  19   9.375  -7.714   5.148
  176   1HN   NH2  20          HN1       LYS  19  13.453  -2.821  -0.092
  177   2HN   NH2  20          HN2       LYS  19  14.530  -1.697   0.658
  Start of MODEL   30
    1   1H    LYS   1          HT1       LYS   1 -18.130   0.802   3.893
    2   2H    LYS   1          HT2       LYS   1 -16.486   1.089   4.173
    3   3H    LYS   1          HT3       LYS   1 -17.113  -0.471   4.351
    4    HA   LYS   1           HA       LYS   1 -17.690  -0.458   1.955
    5   1HB   LYS   1          HB2       LYS   1 -17.570   2.110   1.969
    6   2HB   LYS   1          HB1       LYS   1 -15.829   1.910   1.829
    7   1HG   LYS   1          HG2       LYS   1 -15.961   1.493  -0.348
    8   2HG   LYS   1          HG1       LYS   1 -17.259   0.319  -0.124
    9   1HD   LYS   1          HD2       LYS   1 -18.595   2.624   0.331
   10   2HD   LYS   1          HD1       LYS   1 -17.384   3.179  -0.827
   11   1HE   LYS   1          HE2       LYS   1 -18.218   0.840  -1.960
   12   2HE   LYS   1          HE1       LYS   1 -19.702   1.428  -1.212
   13   1HZ   LYS   1          HZ1       LYS   1 -18.037   3.202  -2.885
   14   2HZ   LYS   1          HZ2       LYS   1 -19.675   3.351  -2.488
   15   3HZ   LYS   1          HZ3       LYS   1 -19.176   2.164  -3.584
   16    H    TRP   2           HN       TRP   2 -15.970  -1.008   0.286
   17    HA   TRP   2           HA       TRP   2 -13.928  -2.559   1.595
   18   1HB   TRP   2          HB2       TRP   2 -13.397  -3.331  -0.713
   19   2HB   TRP   2          HB1       TRP   2 -15.090  -3.546  -0.280
   20    HD1  TRP   2           HD1      TRP   2 -16.892  -2.135  -1.623
   21    HE1  TRP   2           HE1      TRP   2 -16.766  -0.765  -3.798
   22    HE3  TRP   2           HE3      TRP   2 -11.812  -1.799  -2.078
   23    HZ2  TRP   2           HZ2      TRP   2 -14.772   0.314  -5.485
   24    HZ3  TRP   2           HZ3      TRP   2 -10.876  -0.582  -3.999
   25    HH2  TRP   2           HH2      TRP   2 -12.327   0.452  -5.668
   26    H    ALA   3           HN       ALA   3 -13.941   0.564   1.196
   27    HA   ALA   3           HA       ALA   3 -11.536   1.062  -0.278
   28   1HB   ALA   3          HB1       ALA   3 -13.593   2.629   0.373
   29   2HB   ALA   3          HB2       ALA   3 -11.991   3.265   0.002
   30   3HB   ALA   3          HB3       ALA   3 -12.493   3.063   1.680
   31    H    SER   4           HN       SER   4 -11.369  -0.856   1.974
   32    HA   SER   4           HA       SER   4  -9.320   0.521   3.578
   33   1HB   SER   4          HB2       SER   4 -11.055  -1.831   4.368
   34   2HB   SER   4          HB1       SER   4  -9.791  -1.115   5.367
   35    HG   SER   4           HG       SER   4 -10.984   0.803   5.417
   36    H    LEU   5           HN       LEU   5  -9.080  -0.861   0.967
   37    HA   LEU   5           HA       LEU   5  -7.058  -2.838   1.776
   38   1HB   LEU   5          HB2       LEU   5  -7.615  -4.170  -0.214
   39   2HB   LEU   5          HB1       LEU   5  -8.949  -4.065   0.918
   40    HG   LEU   5           HG       LEU   5  -9.610  -2.026  -0.699
   41   1HD1  LEU   5          HD11      LEU   5  -8.184  -3.996  -2.481
   42   2HD1  LEU   5          HD12      LEU   5  -7.683  -2.335  -2.163
   43   3HD1  LEU   5          HD13      LEU   5  -9.192  -2.653  -3.019
   44   1HD2  LEU   5          HD21      LEU   5 -11.149  -3.744  -0.170
   45   2HD2  LEU   5          HD22      LEU   5 -10.193  -4.960  -1.018
   46   3HD2  LEU   5          HD23      LEU   5 -11.035  -3.706  -1.929
   47    H    TRP   6           HN       TRP   6  -7.446   0.100   0.513
   48    HA   TRP   6           HA       TRP   6  -5.338  -0.244  -1.511
   49   1HB   TRP   6          HB2       TRP   6  -6.179   1.553  -2.708
   50   2HB   TRP   6          HB1       TRP   6  -7.652   0.840  -2.065
   51    HD1  TRP   6           HD1      TRP   6  -9.099   2.305  -0.437
   52    HE1  TRP   6           HE1      TRP   6  -8.965   4.755   0.341
   53    HE3  TRP   6           HE3      TRP   6  -4.406   3.438  -2.122
   54    HZ2  TRP   6           HZ2      TRP   6  -7.115   6.886   0.251
   55    HZ3  TRP   6           HZ3      TRP   6  -3.528   5.702  -1.733
   56    HH2  TRP   6           HH2      TRP   6  -4.856   7.392  -0.573
   57    H    ASN   7           HN       ASN   7  -6.246   1.471   1.404
   58    HA   ASN   7           HA       ASN   7  -4.291   3.437   1.494
   59   1HB   ASN   7          HB2       ASN   7  -5.122   1.916   3.952
   60   2HB   ASN   7          HB1       ASN   7  -4.737   3.627   3.797
   61   1HD2  ASN   7          HD21      ASN   7  -7.140   1.184   3.394
   62   2HD2  ASN   7          HD22      ASN   7  -8.470   2.246   3.091
   63    H    TRP   8           HN       TRP   8  -3.974   0.042   1.789
   64    HA   TRP   8           HA       TRP   8  -1.225   0.310   2.799
   65   1HB   TRP   8          HB2       TRP   8  -1.466  -1.666   3.888
   66   2HB   TRP   8          HB1       TRP   8  -3.182  -1.298   3.754
   67    HD1  TRP   8           HD1      TRP   8  -4.601  -2.710   1.975
   68    HE1  TRP   8           HE1      TRP   8  -4.138  -4.966   0.813
   69    HE3  TRP   8           HE3      TRP   8   0.387  -3.082   2.930
   70    HZ2  TRP   8           HZ2      TRP   8  -1.925  -6.672   0.361
   71    HZ3  TRP   8           HZ3      TRP   8   1.612  -5.037   2.104
   72    HH2  TRP   8           HH2      TRP   8   0.483  -6.803   0.844
   73    H    PHE   9           HN       PHE   9  -3.189  -0.754   0.138
   74    HA   PHE   9           HA       PHE   9  -1.331  -2.335  -1.237
   75   1HB   PHE   9          HB2       PHE   9  -3.911  -1.666  -1.667
   76   2HB   PHE   9          HB1       PHE   9  -3.132  -0.634  -2.862
   77    HD1  PHE   9           HD1      PHE   9  -4.249  -3.932  -2.082
   78    HD2  PHE   9           HD2      PHE   9  -1.568  -1.722  -4.537
   79    HE1  PHE   9           HE1      PHE   9  -4.079  -5.849  -3.614
   80    HE2  PHE   9           HE2      PHE   9  -1.392  -3.635  -6.075
   81    HZ   PHE   9           HZ       PHE   9  -2.649  -5.703  -5.614
   82    H    ASN  10           HN       ASN  10  -1.613   1.098  -0.864
   83    HA   ASN  10           HA       ASN  10   0.243   1.660  -3.022
   84   1HB   ASN  10          HB2       ASN  10  -0.483   3.805  -2.906
   85   2HB   ASN  10          HB1       ASN  10  -1.809   3.108  -1.982
   86   1HD2  ASN  10          HD21      ASN  10  -1.345   2.906   0.410
   87   2HD2  ASN  10          HD22      ASN  10  -0.570   4.256   1.160
   88    H    ILE  11           HN       ILE  11   0.326   0.920   0.270
   89    HA   ILE  11           HA       ILE  11   2.711   2.325   0.978
   90    HB   ILE  11           HB       ILE  11   1.492  -0.093   2.319
   91   1HG1  ILE  11          HG12      ILE  11   1.077   2.867   2.791
   92   2HG1  ILE  11          HG11      ILE  11  -0.125   1.720   2.200
   93   1HG2  ILE  11          HG21      ILE  11   3.952   1.135   2.745
   94   2HG2  ILE  11          HG22      ILE  11   3.120   0.024   3.834
   95   3HG2  ILE  11          HG23      ILE  11   2.907   1.766   4.018
   96   1HD1  ILE  11          HD11      ILE  11   0.948   2.094   4.951
   97   2HD1  ILE  11          HD12      ILE  11   0.344   0.510   4.463
   98   3HD1  ILE  11          HD13      ILE  11  -0.718   1.918   4.402
   99    H    THR  12           HN       THR  12   1.972  -0.853  -0.312
  100    HA   THR  12           HA       THR  12   4.559  -1.976   0.065
  101    HB   THR  12           HB       THR  12   3.568  -3.348  -2.077
  102    HG1  THR  12           HG1      THR  12   1.380  -3.341  -2.011
  103   1HG2  THR  12          HG21      THR  12   3.980  -3.785   0.634
  104   2HG2  THR  12          HG22      THR  12   3.563  -5.002  -0.574
  105   3HG2  THR  12          HG23      THR  12   2.293  -4.229   0.375
  106    H    ASN  13           HN       ASN  13   3.816   0.639  -1.652
  107    HA   ASN  13           HA       ASN  13   5.422   0.004  -4.008
  108   1HB   ASN  13          HB2       ASN  13   3.211   1.717  -3.532
  109   2HB   ASN  13          HB1       ASN  13   4.581   2.744  -3.944
  110   1HD2  ASN  13          HD21      ASN  13   2.533   0.130  -5.026
  111   2HD2  ASN  13          HD22      ASN  13   2.904   0.276  -6.706
  112    H    TRP  14           HN       TRP  14   5.307   2.439  -1.395
  113    HA   TRP  14           HA       TRP  14   8.011   3.274  -2.049
  114   1HB   TRP  14          HB2       TRP  14   7.609   4.769   0.050
  115   2HB   TRP  14          HB1       TRP  14   6.796   5.151  -1.461
  116    HD1  TRP  14           HD1      TRP  14   4.131   4.501  -1.583
  117    HE1  TRP  14           HE1      TRP  14   2.374   4.423   0.285
  118    HE3  TRP  14           HE3      TRP  14   7.249   4.248   2.454
  119    HZ2  TRP  14           HZ2      TRP  14   2.316   4.279   3.108
  120    HZ3  TRP  14           HZ3      TRP  14   6.267   4.145   4.704
  121    HH2  TRP  14           HH2      TRP  14   3.847   4.160   5.023
  122    H    LEU  15           HN       LEU  15   6.303   1.622   0.576
  123    HA   LEU  15           HA       LEU  15   8.462   1.400   2.344
  124   1HB   LEU  15          HB2       LEU  15   7.055   0.180   3.608
  125   2HB   LEU  15          HB1       LEU  15   5.855   0.671   2.432
  126    HG   LEU  15           HG       LEU  15   6.611  -1.533   1.210
  127   1HD1  LEU  15          HD11      LEU  15   7.067  -2.353   4.057
  128   2HD1  LEU  15          HD12      LEU  15   8.399  -1.867   3.008
  129   3HD1  LEU  15          HD13      LEU  15   7.397  -3.254   2.577
  130   1HD2  LEU  15          HD21      LEU  15   4.815  -2.723   2.355
  131   2HD2  LEU  15          HD22      LEU  15   4.358  -1.054   2.019
  132   3HD2  LEU  15          HD23      LEU  15   4.839  -1.526   3.649
  133    H    TRP  16           HN       TRP  16   7.455  -0.605  -0.376
  134    HA   TRP  16           HA       TRP  16   9.365  -2.661  -0.005
  135   1HB   TRP  16          HB2       TRP  16   7.261  -2.117  -1.791
  136   2HB   TRP  16          HB1       TRP  16   8.704  -2.252  -2.790
  137    HD1  TRP  16           HD1      TRP  16   9.253  -4.628  -3.529
  138    HE1  TRP  16           HE1      TRP  16   8.685  -7.001  -2.706
  139    HE3  TRP  16           HE3      TRP  16   6.657  -3.417   0.701
  140    HZ2  TRP  16           HZ2      TRP  16   7.314  -8.199  -0.548
  141    HZ3  TRP  16           HZ3      TRP  16   5.748  -5.233   2.091
  142    HH2  TRP  16           HH2      TRP  16   6.070  -7.574   1.477
  143    H    TYR  17           HN       TYR  17   9.452   0.488  -1.451
  144    HA   TYR  17           HA       TYR  17  11.924   0.100  -2.861
  145   1HB   TYR  17          HB2       TYR  17  10.981   1.857  -3.916
  146   2HB   TYR  17          HB1       TYR  17   9.923   2.208  -2.555
  147    HD1  TYR  17           HD1      TYR  17  13.194   2.909  -4.085
  148    HD2  TYR  17           HD2      TYR  17  10.508   3.893  -0.935
  149    HE1  TYR  17           HE1      TYR  17  14.511   4.929  -3.599
  150    HE2  TYR  17           HE2      TYR  17  11.818   5.915  -0.442
  151    HH   TYR  17           HH       TYR  17  13.620   7.108  -0.938
  152    H    ILE  18           HN       ILE  18  10.961   0.886   0.332
  153    HA   ILE  18           HA       ILE  18  13.386   2.201   1.130
  154    HB   ILE  18           HB       ILE  18  11.135   1.007   2.755
  155   1HG1  ILE  18          HG12      ILE  18  11.756   3.928   2.539
  156   2HG1  ILE  18          HG11      ILE  18  10.898   3.136   1.221
  157   1HG2  ILE  18          HG21      ILE  18  13.703   2.259   3.562
  158   2HG2  ILE  18          HG22      ILE  18  12.768   0.983   4.343
  159   3HG2  ILE  18          HG23      ILE  18  12.259   2.665   4.492
  160   1HD1  ILE  18          HD11      ILE  18   9.537   2.296   3.461
  161   2HD1  ILE  18          HD12      ILE  18   9.047   3.584   2.361
  162   3HD1  ILE  18          HD13      ILE  18   9.947   3.971   3.828
  163    H    LYS  19           HN       LYS  19  12.003  -1.043   1.576
  164    HA   LYS  19           HA       LYS  19  14.409  -1.983   2.887
  165   1HB   LYS  19          HB2       LYS  19  13.243  -4.055   3.199
  166   2HB   LYS  19          HB1       LYS  19  12.129  -2.746   3.564
  167   1HG   LYS  19          HG2       LYS  19  11.476  -3.079   1.021
  168   2HG   LYS  19          HG1       LYS  19  12.099  -4.701   1.335
  169   1HD   LYS  19          HD2       LYS  19  10.281  -3.611   3.385
  170   2HD   LYS  19          HD1       LYS  19   9.548  -3.938   1.814
  171   1HE   LYS  19          HE2       LYS  19   9.813  -5.777   3.770
  172   2HE   LYS  19          HE1       LYS  19   9.727  -6.170   2.053
  173   1HZ   LYS  19          HZ1       LYS  19  12.272  -5.736   3.531
  174   2HZ   LYS  19          HZ2       LYS  19  12.101  -6.303   1.946
  175   3HZ   LYS  19          HZ3       LYS  19  11.593  -7.261   3.246
  176   1HN   NH2  20          HN1       LYS  19  13.336  -1.798  -0.422
  177   2HN   NH2  20          HN2       LYS  19  13.958  -3.320  -0.955
  Start of MODEL   31
    1   1H    LYS   1          HT1       LYS   1 -17.846   0.458   4.670
    2   2H    LYS   1          HT2       LYS   1 -16.999  -1.006   4.632
    3   3H    LYS   1          HT3       LYS   1 -18.495  -0.874   3.853
    4    HA   LYS   1           HA       LYS   1 -17.609  -0.069   2.011
    5   1HB   LYS   1          HB2       LYS   1 -17.394   2.065   3.417
    6   2HB   LYS   1          HB1       LYS   1 -15.702   1.632   3.613
    7   1HG   LYS   1          HG2       LYS   1 -15.832   3.188   1.832
    8   2HG   LYS   1          HG1       LYS   1 -15.510   1.607   1.117
    9   1HD   LYS   1          HD2       LYS   1 -17.409   1.658  -0.055
   10   2HD   LYS   1          HD1       LYS   1 -18.351   2.117   1.365
   11   1HE   LYS   1          HE2       LYS   1 -17.812   4.434   1.044
   12   2HE   LYS   1          HE1       LYS   1 -16.687   4.038  -0.254
   13   1HZ   LYS   1          HZ1       LYS   1 -18.706   4.802  -1.221
   14   2HZ   LYS   1          HZ2       LYS   1 -19.639   3.739  -0.293
   15   3HZ   LYS   1          HZ3       LYS   1 -18.618   3.134  -1.498
   16    H    TRP   2           HN       TRP   2 -15.993  -0.700   0.615
   17    HA   TRP   2           HA       TRP   2 -14.019  -2.517   1.736
   18   1HB   TRP   2          HB2       TRP   2 -13.630  -3.155  -0.636
   19   2HB   TRP   2          HB1       TRP   2 -15.312  -3.329  -0.145
   20    HD1  TRP   2           HD1      TRP   2 -17.076  -1.548  -1.164
   21    HE1  TRP   2           HE1      TRP   2 -16.990  -0.121  -3.304
   22    HE3  TRP   2           HE3      TRP   2 -12.076  -1.892  -2.172
   23    HZ2  TRP   2           HZ2      TRP   2 -15.058   0.743  -5.173
   24    HZ3  TRP   2           HZ3      TRP   2 -11.189  -0.739  -4.154
   25    HH2  TRP   2           HH2      TRP   2 -12.649   0.552  -5.623
   26    H    ALA   3           HN       ALA   3 -13.867   0.527   1.792
   27    HA   ALA   3           HA       ALA   3 -11.595   1.169   0.150
   28   1HB   ALA   3          HB1       ALA   3 -12.901   3.029   0.493
   29   2HB   ALA   3          HB2       ALA   3 -11.649   3.264   1.713
   30   3HB   ALA   3          HB3       ALA   3 -13.226   2.624   2.179
   31    H    SER   4           HN       SER   4 -11.271  -1.063   2.018
   32    HA   SER   4           HA       SER   4  -9.063   0.021   3.638
   33   1HB   SER   4          HB2       SER   4  -9.477  -1.644   5.317
   34   2HB   SER   4          HB1       SER   4 -11.008  -0.837   4.976
   35    HG   SER   4           HG       SER   4 -10.195  -3.442   4.412
   36    H    LEU   5           HN       LEU   5  -8.778  -0.788   0.946
   37    HA   LEU   5           HA       LEU   5  -6.885  -2.984   1.325
   38   1HB   LEU   5          HB2       LEU   5  -7.607  -4.070  -0.753
   39   2HB   LEU   5          HB1       LEU   5  -8.865  -4.070   0.468
   40    HG   LEU   5           HG       LEU   5  -9.527  -1.828  -0.899
   41   1HD1  LEU   5          HD11      LEU   5  -7.570  -2.767  -2.501
   42   2HD1  LEU   5          HD12      LEU   5  -8.946  -1.824  -3.073
   43   3HD1  LEU   5          HD13      LEU   5  -8.972  -3.583  -3.194
   44   1HD2  LEU   5          HD21      LEU   5 -11.282  -3.225  -0.576
   45   2HD2  LEU   5          HD22      LEU   5 -10.356  -4.666  -0.994
   46   3HD2  LEU   5          HD23      LEU   5 -10.968  -3.613  -2.268
   47    H    TRP   6           HN       TRP   6  -7.486   0.075   0.263
   48    HA   TRP   6           HA       TRP   6  -5.413  -0.050  -1.814
   49   1HB   TRP   6          HB2       TRP   6  -6.449   1.630  -2.936
   50   2HB   TRP   6          HB1       TRP   6  -7.853   1.086  -2.028
   51    HD1  TRP   6           HD1      TRP   6  -8.949   2.792  -0.390
   52    HE1  TRP   6           HE1      TRP   6  -8.464   5.239   0.243
   53    HE3  TRP   6           HE3      TRP   6  -4.372   3.318  -2.610
   54    HZ2  TRP   6           HZ2      TRP   6  -6.414   7.142  -0.147
   55    HZ3  TRP   6           HZ3      TRP   6  -3.214   5.481  -2.431
   56    HH2  TRP   6           HH2      TRP   6  -4.218   7.354  -1.227
   57    H    ASN   7           HN       ASN   7  -6.270   1.432   1.245
   58    HA   ASN   7           HA       ASN   7  -4.314   3.411   1.391
   59   1HB   ASN   7          HB2       ASN   7  -4.988   1.860   3.850
   60   2HB   ASN   7          HB1       ASN   7  -4.848   3.601   3.626
   61   1HD2  ASN   7          HD21      ASN   7  -6.952   1.111   4.095
   62   2HD2  ASN   7          HD22      ASN   7  -8.406   1.870   3.552
   63    H    TRP   8           HN       TRP   8  -3.984   0.015   1.450
   64    HA   TRP   8           HA       TRP   8  -1.235   0.230   2.482
   65   1HB   TRP   8          HB2       TRP   8  -1.469  -1.790   3.486
   66   2HB   TRP   8          HB1       TRP   8  -3.188  -1.433   3.365
   67    HD1  TRP   8           HD1      TRP   8  -4.607  -2.823   1.591
   68    HE1  TRP   8           HE1      TRP   8  -4.115  -4.998   0.299
   69    HE3  TRP   8           HE3      TRP   8   0.424  -3.100   2.374
   70    HZ2  TRP   8           HZ2      TRP   8  -1.878  -6.614  -0.308
   71    HZ3  TRP   8           HZ3      TRP   8   1.671  -4.980   1.408
   72    HH2  TRP   8           HH2      TRP   8   0.546  -6.706   0.094
   73    H    PHE   9           HN       PHE   9  -3.213  -0.780  -0.213
   74    HA   PHE   9           HA       PHE   9  -1.289  -2.253  -1.633
   75   1HB   PHE   9          HB2       PHE   9  -3.940  -1.312  -2.079
   76   2HB   PHE   9          HB1       PHE   9  -2.969  -0.861  -3.475
   77    HD1  PHE   9           HD1      PHE   9  -1.066  -3.319  -3.178
   78    HD2  PHE   9           HD2      PHE   9  -5.298  -2.870  -3.283
   79    HE1  PHE   9           HE1      PHE   9  -1.282  -5.603  -4.064
   80    HE2  PHE   9           HE2      PHE   9  -5.520  -5.155  -4.166
   81    HZ   PHE   9           HZ       PHE   9  -3.511  -6.525  -4.558
   82    H    ASN  10           HN       ASN  10  -1.638   1.116  -1.083
   83    HA   ASN  10           HA       ASN  10   0.095   1.841  -3.305
   84   1HB   ASN  10          HB2       ASN  10  -0.678   3.965  -3.058
   85   2HB   ASN  10          HB1       ASN  10  -1.971   3.172  -2.165
   86   1HD2  ASN  10          HD21      ASN  10  -1.316   2.761   0.220
   87   2HD2  ASN  10          HD22      ASN  10  -0.642   4.128   1.034
   88    H    ILE  11           HN       ILE  11   0.349   0.854  -0.117
   89    HA   ILE  11           HA       ILE  11   2.713   2.330   0.594
   90    HB   ILE  11           HB       ILE  11   1.603  -0.151   1.909
   91   1HG1  ILE  11          HG12      ILE  11   1.029   2.778   2.409
   92   2HG1  ILE  11          HG11      ILE  11  -0.119   1.549   1.883
   93   1HG2  ILE  11          HG21      ILE  11   3.058   0.191   3.632
   94   2HG2  ILE  11          HG22      ILE  11   3.139   1.933   3.365
   95   3HG2  ILE  11          HG23      ILE  11   4.030   0.837   2.309
   96   1HD1  ILE  11          HD11      ILE  11  -0.286   2.207   4.284
   97   2HD1  ILE  11          HD12      ILE  11   1.298   1.472   4.534
   98   3HD1  ILE  11          HD13      ILE  11  -0.061   0.480   4.004
   99    H    THR  12           HN       THR  12   1.981  -0.757  -0.867
  100    HA   THR  12           HA       THR  12   4.521  -1.964  -0.513
  101    HB   THR  12           HB       THR  12   3.603  -3.118  -2.807
  102    HG1  THR  12           HG1      THR  12   1.730  -1.616  -2.593
  103   1HG2  THR  12          HG21      THR  12   2.617  -4.833  -1.345
  104   2HG2  THR  12          HG22      THR  12   2.704  -3.714   0.015
  105   3HG2  THR  12          HG23      THR  12   4.185  -4.291  -0.749
  106    H    ASN  13           HN       ASN  13   3.867   0.802  -2.090
  107    HA   ASN  13           HA       ASN  13   5.604   0.319  -4.387
  108   1HB   ASN  13          HB2       ASN  13   3.456   2.152  -3.785
  109   2HB   ASN  13          HB1       ASN  13   4.888   3.041  -4.296
  110   1HD2  ASN  13          HD21      ASN  13   2.703   0.433  -5.191
  111   2HD2  ASN  13          HD22      ASN  13   2.928   0.584  -6.897
  112    H    TRP  14           HN       TRP  14   5.445   2.401  -1.505
  113    HA   TRP  14           HA       TRP  14   8.184   3.280  -2.005
  114   1HB   TRP  14          HB2       TRP  14   7.671   4.654   0.167
  115   2HB   TRP  14          HB1       TRP  14   7.001   5.157  -1.378
  116    HD1  TRP  14           HD1      TRP  14   4.341   4.294  -1.783
  117    HE1  TRP  14           HE1      TRP  14   2.426   4.270  -0.076
  118    HE3  TRP  14           HE3      TRP  14   7.092   4.435   2.521
  119    HZ2  TRP  14           HZ2      TRP  14   2.115   4.312   2.731
  120    HZ3  TRP  14           HZ3      TRP  14   5.909   4.444   4.676
  121    HH2  TRP  14           HH2      TRP  14   3.470   4.384   4.778
  122    H    LEU  15           HN       LEU  15   6.298   1.450   0.343
  123    HA   LEU  15           HA       LEU  15   8.330   1.110   2.254
  124   1HB   LEU  15          HB2       LEU  15   6.847  -0.198   3.343
  125   2HB   LEU  15          HB1       LEU  15   5.722   0.443   2.166
  126    HG   LEU  15           HG       LEU  15   6.442  -1.664   0.777
  127   1HD1  LEU  15          HD11      LEU  15   6.624  -3.019   3.385
  128   2HD1  LEU  15          HD12      LEU  15   8.054  -2.116   2.882
  129   3HD1  LEU  15          HD13      LEU  15   7.408  -3.392   1.850
  130   1HD2  LEU  15          HD21      LEU  15   4.620  -1.930   3.160
  131   2HD2  LEU  15          HD22      LEU  15   4.549  -2.851   1.658
  132   3HD2  LEU  15          HD23      LEU  15   4.185  -1.125   1.652
  133    H    TRP  16           HN       TRP  16   7.503  -0.651  -0.676
  134    HA   TRP  16           HA       TRP  16   9.279  -2.818  -0.346
  135   1HB   TRP  16          HB2       TRP  16   7.426  -1.973  -2.275
  136   2HB   TRP  16          HB1       TRP  16   8.969  -2.030  -3.120
  137    HD1  TRP  16           HD1      TRP  16   9.479  -4.296  -4.160
  138    HE1  TRP  16           HE1      TRP  16   8.788  -6.737  -3.719
  139    HE3  TRP  16           HE3      TRP  16   6.602  -3.585   0.005
  140    HZ2  TRP  16           HZ2      TRP  16   7.227  -8.169  -1.853
  141    HZ3  TRP  16           HZ3      TRP  16   5.543  -5.541   1.056
  142    HH2  TRP  16           HH2      TRP  16   5.850  -7.786   0.145
  143    H    TYR  17           HN       TYR  17   9.680   0.466  -1.281
  144    HA   TYR  17           HA       TYR  17  12.289   0.131  -2.460
  145   1HB   TYR  17          HB2       TYR  17  11.383   1.981  -3.427
  146   2HB   TYR  17          HB1       TYR  17  10.358   2.328  -2.040
  147    HD1  TYR  17           HD1      TYR  17  13.743   2.761  -3.450
  148    HD2  TYR  17           HD2      TYR  17  11.030   3.892  -0.372
  149    HE1  TYR  17           HE1      TYR  17  15.240   4.607  -2.817
  150    HE2  TYR  17           HE2      TYR  17  12.520   5.742   0.268
  151    HH   TYR  17           HH       TYR  17  14.726   6.488   0.060
  152    H    ILE  18           HN       ILE  18  10.919   0.985   0.641
  153    HA   ILE  18           HA       ILE  18  13.244   2.039   1.846
  154    HB   ILE  18           HB       ILE  18  10.900   0.648   3.155
  155   1HG1  ILE  18          HG12      ILE  18  11.359   3.619   2.955
  156   2HG1  ILE  18          HG11      ILE  18  10.499   2.737   1.696
  157   1HG2  ILE  18          HG21      ILE  18  11.956   2.551   4.889
  158   2HG2  ILE  18          HG22      ILE  18  13.361   1.717   4.223
  159   3HG2  ILE  18          HG23      ILE  18  12.089   0.798   5.028
  160   1HD1  ILE  18          HD11      ILE  18   8.637   2.923   2.866
  161   2HD1  ILE  18          HD12      ILE  18   9.513   3.754   4.153
  162   3HD1  ILE  18          HD13      ILE  18   9.368   1.996   4.177
  163    H    LYS  19           HN       LYS  19  11.734  -1.164   2.313
  164    HA   LYS  19           HA       LYS  19  13.906  -2.270   3.716
  165   1HB   LYS  19          HB2       LYS  19  11.970  -3.871   2.052
  166   2HB   LYS  19          HB1       LYS  19  12.796  -4.356   3.526
  167   1HG   LYS  19          HG2       LYS  19  11.232  -2.041   4.076
  168   2HG   LYS  19          HG1       LYS  19  10.227  -3.231   3.247
  169   1HD   LYS  19          HD2       LYS  19  11.545  -4.810   5.014
  170   2HD   LYS  19          HD1       LYS  19  11.433  -3.306   5.930
  171   1HE   LYS  19          HE2       LYS  19   9.196  -3.461   6.167
  172   2HE   LYS  19          HE1       LYS  19   8.968  -4.130   4.550
  173   1HZ   LYS  19          HZ1       LYS  19  10.110  -5.712   6.787
  174   2HZ   LYS  19          HZ2       LYS  19   9.524  -6.283   5.307
  175   3HZ   LYS  19          HZ3       LYS  19   8.449  -5.667   6.458
  176   1HN   NH2  20          HN1       LYS  19  13.922  -1.577   0.240
  177   2HN   NH2  20          HN2       LYS  19  14.102  -3.230  -0.227
  Start of MODEL   32
    1   1H    LYS   1          HT1       LYS   1 -15.531  -0.544  -5.207
    2   2H    LYS   1          HT2       LYS   1 -16.854  -1.577  -4.999
    3   3H    LYS   1          HT3       LYS   1 -15.304  -2.091  -4.558
    4    HA   LYS   1           HA       LYS   1 -17.122  -0.251  -3.189
    5   1HB   LYS   1          HB2       LYS   1 -15.837  -2.791  -2.749
    6   2HB   LYS   1          HB1       LYS   1 -15.404  -1.677  -1.460
    7   1HG   LYS   1          HG2       LYS   1 -18.174  -1.391  -1.881
    8   2HG   LYS   1          HG1       LYS   1 -17.831  -3.122  -1.853
    9   1HD   LYS   1          HD2       LYS   1 -17.584  -3.074   0.356
   10   2HD   LYS   1          HD1       LYS   1 -16.346  -1.824   0.221
   11   1HE   LYS   1          HE2       LYS   1 -18.472  -1.327   1.598
   12   2HE   LYS   1          HE1       LYS   1 -17.877  -0.099   0.482
   13   1HZ   LYS   1          HZ1       LYS   1 -19.559  -0.569  -1.042
   14   2HZ   LYS   1          HZ2       LYS   1 -20.350  -0.611   0.453
   15   3HZ   LYS   1          HZ3       LYS   1 -19.940  -2.055  -0.328
   16    H    TRP   2           HN       TRP   2 -15.885   0.549  -1.056
   17    HA   TRP   2           HA       TRP   2 -13.950   2.457  -2.020
   18   1HB   TRP   2          HB2       TRP   2 -14.210   3.557   0.056
   19   2HB   TRP   2          HB1       TRP   2 -15.807   2.922  -0.322
   20    HD1  TRP   2           HD1      TRP   2 -16.653   0.799   1.141
   21    HE1  TRP   2           HE1      TRP   2 -15.995   0.016   3.504
   22    HE3  TRP   2           HE3      TRP   2 -12.298   3.422   1.682
   23    HZ2  TRP   2           HZ2      TRP   2 -13.904   0.453   5.352
   24    HZ3  TRP   2           HZ3      TRP   2 -11.028   3.183   3.776
   25    HH2  TRP   2           HH2      TRP   2 -11.815   1.729   5.571
   26    H    ALA   3           HN       ALA   3 -13.716  -0.667  -1.055
   27    HA   ALA   3           HA       ALA   3 -11.352  -0.510   0.573
   28   1HB   ALA   3          HB1       ALA   3 -12.958  -2.350   0.804
   29   2HB   ALA   3          HB2       ALA   3 -11.337  -2.936   0.431
   30   3HB   ALA   3          HB3       ALA   3 -12.568  -2.886  -0.830
   31    H    SER   4           HN       SER   4 -11.363   0.711  -2.168
   32    HA   SER   4           HA       SER   4  -9.312  -0.897  -3.505
   33   1HB   SER   4          HB2       SER   4  -9.634   0.886  -5.331
   34   2HB   SER   4          HB1       SER   4 -10.969  -0.231  -5.048
   35    HG   SER   4           HG       SER   4 -11.806   1.470  -3.610
   36    H    LEU   5           HN       LEU   5  -8.845   0.662  -1.023
   37    HA   LEU   5           HA       LEU   5  -6.658   2.340  -2.051
   38   1HB   LEU   5          HB2       LEU   5  -7.016   3.775   0.009
   39   2HB   LEU   5          HB1       LEU   5  -8.197   3.931  -1.277
   40    HG   LEU   5           HG       LEU   5  -9.418   2.060   0.237
   41   1HD1  LEU   5          HD11      LEU   5  -8.953   2.141   2.447
   42   2HD1  LEU   5          HD12      LEU   5  -8.464   3.835   2.396
   43   3HD1  LEU   5          HD13      LEU   5  -7.351   2.579   1.853
   44   1HD2  LEU   5          HD21      LEU   5  -9.657   4.875  -0.250
   45   2HD2  LEU   5          HD22      LEU   5 -10.152   4.507   1.402
   46   3HD2  LEU   5          HD23      LEU   5 -10.921   3.682   0.047
   47    H    TRP   6           HN       TRP   6  -7.580  -0.259  -0.136
   48    HA   TRP   6           HA       TRP   6  -5.379  -0.020   1.743
   49   1HB   TRP   6          HB2       TRP   6  -6.389  -1.665   2.973
   50   2HB   TRP   6          HB1       TRP   6  -7.797  -1.088   2.091
   51    HD1  TRP   6           HD1      TRP   6  -8.948  -2.753   0.412
   52    HE1  TRP   6           HE1      TRP   6  -8.617  -5.252  -0.111
   53    HE3  TRP   6           HE3      TRP   6  -4.501  -3.508   2.821
   54    HZ2  TRP   6           HZ2      TRP   6  -6.720  -7.275   0.425
   55    HZ3  TRP   6           HZ3      TRP   6  -3.494  -5.750   2.766
   56    HH2  TRP   6           HH2      TRP   6  -4.584  -7.596   1.595
   57    H    ASN   7           HN       ASN   7  -6.165  -1.693  -1.208
   58    HA   ASN   7           HA       ASN   7  -4.341  -3.765  -1.210
   59   1HB   ASN   7          HB2       ASN   7  -4.409  -3.634  -3.660
   60   2HB   ASN   7          HB1       ASN   7  -6.019  -3.479  -2.964
   61   1HD2  ASN   7          HD21      ASN   7  -7.180  -1.684  -3.365
   62   2HD2  ASN   7          HD22      ASN   7  -6.616  -0.343  -4.297
   63    H    TRP   8           HN       TRP   8  -3.824  -0.374  -1.762
   64    HA   TRP   8           HA       TRP   8  -0.985  -0.864  -2.330
   65   1HB   TRP   8          HB2       TRP   8  -0.956   1.022  -3.601
   66   2HB   TRP   8          HB1       TRP   8  -2.677   0.675  -3.725
   67    HD1  TRP   8           HD1      TRP   8  -4.348   2.279  -2.400
   68    HE1  TRP   8           HE1      TRP   8  -4.037   4.643  -1.409
   69    HE3  TRP   8           HE3      TRP   8   0.736   2.494  -2.463
   70    HZ2  TRP   8           HZ2      TRP   8  -1.885   6.368  -0.741
   71    HZ3  TRP   8           HZ3      TRP   8   1.853   4.509  -1.636
   72    HH2  TRP   8           HH2      TRP   8   0.573   6.416  -0.792
   73    H    PHE   9           HN       PHE   9  -3.149   0.304   0.059
   74    HA   PHE   9           HA       PHE   9  -1.400   2.029   1.461
   75   1HB   PHE   9          HB2       PHE   9  -4.031   1.398   1.708
   76   2HB   PHE   9          HB1       PHE   9  -3.357   0.495   3.060
   77    HD1  PHE   9           HD1      PHE   9  -2.513   1.601   4.991
   78    HD2  PHE   9           HD2      PHE   9  -3.813   3.846   1.617
   79    HE1  PHE   9           HE1      PHE   9  -2.460   3.657   6.342
   80    HE2  PHE   9           HE2      PHE   9  -3.764   5.906   2.963
   81    HZ   PHE   9           HZ       PHE   9  -3.086   5.812   5.329
   82    H    ASN  10           HN       ASN  10  -1.714  -1.413   1.271
   83    HA   ASN  10           HA       ASN  10  -0.056  -1.867   3.619
   84   1HB   ASN  10          HB2       ASN  10  -0.445  -4.205   3.261
   85   2HB   ASN  10          HB1       ASN  10  -1.980  -3.382   3.005
   86   1HD2  ASN  10          HD21      ASN  10   0.714  -4.970   1.452
   87   2HD2  ASN  10          HD22      ASN  10  -0.086  -5.290  -0.045
   88    H    ILE  11           HN       ILE  11   0.364  -1.109   0.416
   89    HA   ILE  11           HA       ILE  11   2.788  -2.623  -0.031
   90    HB   ILE  11           HB       ILE  11   1.631  -0.383  -1.695
   91   1HG1  ILE  11          HG12      ILE  11   1.217  -3.377  -1.854
   92   2HG1  ILE  11          HG11      ILE  11  -0.007  -2.159  -1.506
   93   1HG2  ILE  11          HG21      ILE  11   3.332  -2.553  -2.806
   94   2HG2  ILE  11          HG22      ILE  11   4.113  -1.268  -1.884
   95   3HG2  ILE  11          HG23      ILE  11   3.162  -0.873  -3.317
   96   1HD1  ILE  11          HD11      ILE  11  -0.405  -2.690  -3.716
   97   2HD1  ILE  11          HD12      ILE  11   1.311  -2.822  -4.102
   98   3HD1  ILE  11          HD13      ILE  11   0.585  -1.236  -3.842
   99    H    THR  12           HN       THR  12   1.858   0.531   1.094
  100    HA   THR  12           HA       THR  12   4.290   1.898   0.656
  101    HB   THR  12           HB       THR  12   3.219   3.015   2.967
  102    HG1  THR  12           HG1      THR  12   0.977   3.020   2.583
  103   1HG2  THR  12          HG21      THR  12   2.002   4.463   1.079
  104   2HG2  THR  12          HG22      THR  12   3.125   3.568   0.056
  105   3HG2  THR  12          HG23      THR  12   3.737   4.561   1.378
  106    H    ASN  13           HN       ASN  13   3.807  -0.785   2.483
  107    HA   ASN  13           HA       ASN  13   5.550  -0.028   4.689
  108   1HB   ASN  13          HB2       ASN  13   4.417  -2.771   4.161
  109   2HB   ASN  13          HB1       ASN  13   4.979  -2.102   5.690
  110   1HD2  ASN  13          HD21      ASN  13   3.721   0.424   5.449
  111   2HD2  ASN  13          HD22      ASN  13   2.020   0.182   5.628
  112    H    TRP  14           HN       TRP  14   5.533  -2.303   1.955
  113    HA   TRP  14           HA       TRP  14   8.351  -2.893   2.468
  114   1HB   TRP  14          HB2       TRP  14   7.946  -4.515   0.467
  115   2HB   TRP  14          HB1       TRP  14   7.316  -4.919   2.058
  116    HD1  TRP  14           HD1      TRP  14   4.594  -4.208   2.386
  117    HE1  TRP  14           HE1      TRP  14   2.688  -4.538   0.698
  118    HE3  TRP  14           HE3      TRP  14   7.365  -4.626  -1.882
  119    HZ2  TRP  14           HZ2      TRP  14   2.397  -4.932  -2.087
  120    HZ3  TRP  14           HZ3      TRP  14   6.198  -4.984  -4.018
  121    HH2  TRP  14           HH2      TRP  14   3.764  -5.133  -4.116
  122    H    LEU  15           HN       LEU  15   6.239  -1.520  -0.006
  123    HA   LEU  15           HA       LEU  15   8.153  -1.173  -2.010
  124   1HB   LEU  15          HB2       LEU  15   6.537  -0.062  -3.123
  125   2HB   LEU  15          HB1       LEU  15   5.512  -0.654  -1.834
  126    HG   LEU  15           HG       LEU  15   6.192   1.615  -0.684
  127   1HD1  LEU  15          HD11      LEU  15   7.460   1.889  -3.154
  128   2HD1  LEU  15          HD12      LEU  15   7.193   3.145  -1.943
  129   3HD1  LEU  15          HD13      LEU  15   6.027   2.914  -3.246
  130   1HD2  LEU  15          HD21      LEU  15   3.928   0.750  -1.514
  131   2HD2  LEU  15          HD22      LEU  15   4.226   1.740  -2.943
  132   3HD2  LEU  15          HD23      LEU  15   4.134   2.494  -1.352
  133    H    TRP  16           HN       TRP  16   7.457   0.643   0.891
  134    HA   TRP  16           HA       TRP  16   9.010   2.936   0.313
  135   1HB   TRP  16          HB2       TRP  16   7.408   2.041   2.442
  136   2HB   TRP  16          HB1       TRP  16   9.013   2.254   3.131
  137    HD1  TRP  16           HD1      TRP  16   9.338   4.583   4.109
  138    HE1  TRP  16           HE1      TRP  16   8.456   6.948   3.604
  139    HE3  TRP  16           HE3      TRP  16   6.391   3.508   0.071
  140    HZ2  TRP  16           HZ2      TRP  16   6.740   8.193   1.742
  141    HZ3  TRP  16           HZ3      TRP  16   5.162   5.343  -1.013
  142    HH2  TRP  16           HH2      TRP  16   5.333   7.637  -0.193
  143    H    TYR  17           HN       TYR  17   9.709  -0.236   1.570
  144    HA   TYR  17           HA       TYR  17  12.358   0.291   2.456
  145   1HB   TYR  17          HB2       TYR  17  11.725  -1.667   3.418
  146   2HB   TYR  17          HB1       TYR  17  10.606  -2.060   2.117
  147    HD1  TYR  17           HD1      TYR  17  14.131  -2.254   3.209
  148    HD2  TYR  17           HD2      TYR  17  11.254  -3.513   0.339
  149    HE1  TYR  17           HE1      TYR  17  15.710  -3.946   2.375
  150    HE2  TYR  17           HE2      TYR  17  12.823  -5.208  -0.502
  151    HH   TYR  17           HH       TYR  17  15.933  -5.772   1.066
  152    H    ILE  18           HN       ILE  18  10.895  -0.521  -0.594
  153    HA   ILE  18           HA       ILE  18  13.352  -1.210  -1.917
  154    HB   ILE  18           HB       ILE  18  10.676  -0.494  -3.127
  155   1HG1  ILE  18          HG12      ILE  18  11.670  -3.300  -2.918
  156   2HG1  ILE  18          HG11      ILE  18  11.003  -2.550  -1.471
  157   1HG2  ILE  18          HG21      ILE  18  12.613  -0.334  -4.661
  158   2HG2  ILE  18          HG22      ILE  18  11.467  -1.594  -5.119
  159   3HG2  ILE  18          HG23      ILE  18  12.980  -2.026  -4.324
  160   1HD1  ILE  18          HD11      ILE  18   9.139  -3.539  -2.336
  161   2HD1  ILE  18          HD12      ILE  18   9.659  -3.317  -4.005
  162   3HD1  ILE  18          HD13      ILE  18   9.027  -1.949  -3.090
  163    H    LYS  19           HN       LYS  19  11.040   1.459  -2.443
  164    HA   LYS  19           HA       LYS  19  12.797   3.012  -3.998
  165   1HB   LYS  19          HB2       LYS  19  10.202   3.481  -2.613
  166   2HB   LYS  19          HB1       LYS  19  11.121   4.891  -3.121
  167   1HG   LYS  19          HG2       LYS  19   9.570   4.365  -4.846
  168   2HG   LYS  19          HG1       LYS  19  11.181   3.935  -5.423
  169   1HD   LYS  19          HD2       LYS  19  10.719   1.718  -5.463
  170   2HD   LYS  19          HD1       LYS  19   9.683   1.801  -4.037
  171   1HE   LYS  19          HE2       LYS  19   8.150   1.334  -5.689
  172   2HE   LYS  19          HE1       LYS  19   8.074   3.096  -5.627
  173   1HZ   LYS  19          HZ1       LYS  19   9.770   1.584  -7.545
  174   2HZ   LYS  19          HZ2       LYS  19   9.465   3.248  -7.546
  175   3HZ   LYS  19          HZ3       LYS  19   8.221   2.161  -7.913
  176   1HN   NH2  20          HN1       LYS  19  12.130   3.722  -0.320
  177   2HN   NH2  20          HN2       LYS  19  12.549   5.308  -0.862
  Start of MODEL   33
    1   1H    LYS   1          HT1       LYS   1 -15.925   0.539   5.319
    2   2H    LYS   1          HT2       LYS   1 -17.560   0.111   5.268
    3   3H    LYS   1          HT3       LYS   1 -17.095   1.708   4.962
    4    HA   LYS   1           HA       LYS   1 -17.564  -0.177   3.083
    5   1HB   LYS   1          HB2       LYS   1 -17.103   2.488   3.212
    6   2HB   LYS   1          HB1       LYS   1 -15.636   1.964   2.398
    7   1HG   LYS   1          HG2       LYS   1 -16.766   1.244   0.528
    8   2HG   LYS   1          HG1       LYS   1 -18.283   1.020   1.402
    9   1HD   LYS   1          HD2       LYS   1 -18.643   2.933   0.098
   10   2HD   LYS   1          HD1       LYS   1 -18.270   3.563   1.704
   11   1HE   LYS   1          HE2       LYS   1 -17.109   4.787  -0.096
   12   2HE   LYS   1          HE1       LYS   1 -15.997   4.025   1.040
   13   1HZ   LYS   1          HZ1       LYS   1 -15.055   2.982  -0.649
   14   2HZ   LYS   1          HZ2       LYS   1 -16.137   3.695  -1.736
   15   3HZ   LYS   1          HZ3       LYS   1 -16.515   2.210  -1.020
   16    H    TRP   2           HN       TRP   2 -15.921  -0.547   1.173
   17    HA   TRP   2           HA       TRP   2 -13.789  -2.181   2.290
   18   1HB   TRP   2          HB2       TRP   2 -13.555  -3.000  -0.063
   19   2HB   TRP   2          HB1       TRP   2 -15.163  -3.238   0.613
   20    HD1  TRP   2           HD1      TRP   2 -17.158  -1.772  -0.415
   21    HE1  TRP   2           HE1      TRP   2 -17.380  -0.498  -2.641
   22    HE3  TRP   2           HE3      TRP   2 -12.231  -1.644  -1.772
   23    HZ2  TRP   2           HZ2      TRP   2 -15.688   0.438  -4.699
   24    HZ3  TRP   2           HZ3      TRP   2 -11.617  -0.541  -3.883
   25    HH2  TRP   2           HH2      TRP   2 -13.309   0.478  -5.314
   26    H    ALA   3           HN       ALA   3 -13.775   0.869   2.022
   27    HA   ALA   3           HA       ALA   3 -11.654   1.406   0.154
   28   1HB   ALA   3          HB1       ALA   3 -12.988   3.256   0.380
   29   2HB   ALA   3          HB2       ALA   3 -11.689   3.656   1.504
   30   3HB   ALA   3          HB3       ALA   3 -13.216   3.018   2.113
   31    H    SER   4           HN       SER   4 -11.093  -0.594   2.214
   32    HA   SER   4           HA       SER   4  -8.765   0.718   3.446
   33   1HB   SER   4          HB2       SER   4 -10.777  -1.127   4.681
   34   2HB   SER   4          HB1       SER   4  -9.112  -1.147   5.264
   35    HG   SER   4           HG       SER   4 -11.075   0.717   5.641
   36    H    LEU   5           HN       LEU   5  -8.824  -0.615   0.936
   37    HA   LEU   5           HA       LEU   5  -6.984  -2.822   1.535
   38   1HB   LEU   5          HB2       LEU   5  -7.896  -4.085  -0.386
   39   2HB   LEU   5          HB1       LEU   5  -9.041  -3.896   0.928
   40    HG   LEU   5           HG       LEU   5  -9.793  -1.801  -0.550
   41   1HD1  LEU   5          HD11      LEU   5  -8.272  -3.582  -2.371
   42   2HD1  LEU   5          HD12      LEU   5  -8.498  -1.833  -2.421
   43   3HD1  LEU   5          HD13      LEU   5  -9.791  -2.905  -2.960
   44   1HD2  LEU   5          HD21      LEU   5 -11.476  -3.252  -0.020
   45   2HD2  LEU   5          HD22      LEU   5 -10.580  -4.668  -0.568
   46   3HD2  LEU   5          HD23      LEU   5 -11.324  -3.586  -1.745
   47    H    TRP   6           HN       TRP   6  -7.647   0.034  -0.121
   48    HA   TRP   6           HA       TRP   6  -5.694  -0.483  -2.228
   49   1HB   TRP   6          HB2       TRP   6  -6.449   1.526  -3.265
   50   2HB   TRP   6          HB1       TRP   6  -7.889   0.687  -2.698
   51    HD1  TRP   6           HD1      TRP   6  -9.395   1.914  -0.939
   52    HE1  TRP   6           HE1      TRP   6  -9.366   4.273   0.088
   53    HE3  TRP   6           HE3      TRP   6  -4.755   3.415  -2.477
   54    HZ2  TRP   6           HZ2      TRP   6  -7.610   6.479   0.229
   55    HZ3  TRP   6           HZ3      TRP   6  -3.974   5.664  -1.851
   56    HH2  TRP   6           HH2      TRP   6  -5.375   7.164  -0.528
   57    H    ASN   7           HN       ASN   7  -6.070   1.310   0.738
   58    HA   ASN   7           HA       ASN   7  -4.043   3.172   0.539
   59   1HB   ASN   7          HB2       ASN   7  -3.875   2.957   3.051
   60   2HB   ASN   7          HB1       ASN   7  -5.492   3.266   2.427
   61   1HD2  ASN   7          HD21      ASN   7  -7.024   1.600   2.456
   62   2HD2  ASN   7          HD22      ASN   7  -6.835   0.216   3.471
   63    H    TRP   8           HN       TRP   8  -3.788  -0.055   1.954
   64    HA   TRP   8           HA       TRP   8  -0.971   0.026   2.250
   65   1HB   TRP   8          HB2       TRP   8  -1.199  -1.999   3.253
   66   2HB   TRP   8          HB1       TRP   8  -2.901  -1.550   3.267
   67    HD1  TRP   8           HD1      TRP   8  -4.526  -2.853   1.600
   68    HE1  TRP   8           HE1      TRP   8  -4.256  -5.074   0.318
   69    HE3  TRP   8           HE3      TRP   8   0.519  -3.419   2.042
   70    HZ2  TRP   8           HZ2      TRP   8  -2.161  -6.832  -0.410
   71    HZ3  TRP   8           HZ3      TRP   8   1.586  -5.379   1.029
   72    HH2  TRP   8           HH2      TRP   8   0.276  -7.058  -0.174
   73    H    PHE   9           HN       PHE   9  -3.077  -0.899  -0.364
   74    HA   PHE   9           HA       PHE   9  -1.245  -2.420  -1.870
   75   1HB   PHE   9          HB2       PHE   9  -3.872  -1.254  -2.254
   76   2HB   PHE   9          HB1       PHE   9  -2.893  -1.083  -3.705
   77    HD1  PHE   9           HD1      PHE   9  -5.415  -2.701  -3.452
   78    HD2  PHE   9           HD2      PHE   9  -1.321  -3.760  -2.964
   79    HE1  PHE   9           HE1      PHE   9  -5.945  -5.023  -4.069
   80    HE2  PHE   9           HE2      PHE   9  -1.844  -6.083  -3.580
   81    HZ   PHE   9           HZ       PHE   9  -4.159  -6.717  -4.134
   82    H    ASN  10           HN       ASN  10  -1.573   0.963  -1.314
   83    HA   ASN  10           HA       ASN  10   0.145   1.674  -3.553
   84   1HB   ASN  10          HB2       ASN  10  -1.678   3.184  -3.192
   85   2HB   ASN  10          HB1       ASN  10  -1.307   3.314  -1.475
   86   1HD2  ASN  10          HD21      ASN  10   0.355   4.633  -0.802
   87   2HD2  ASN  10          HD22      ASN  10   1.116   5.782  -1.844
   88    H    ILE  11           HN       ILE  11   0.376   0.861  -0.282
   89    HA   ILE  11           HA       ILE  11   2.735   2.370   0.335
   90    HB   ILE  11           HB       ILE  11   1.703  -0.063   1.790
   91   1HG1  ILE  11          HG12      ILE  11   0.988   2.858   2.149
   92   2HG1  ILE  11          HG11      ILE  11  -0.092   1.579   1.600
   93   1HG2  ILE  11          HG21      ILE  11   3.996   1.545   2.131
   94   2HG2  ILE  11          HG22      ILE  11   3.398   0.266   3.187
   95   3HG2  ILE  11          HG23      ILE  11   2.892   1.934   3.450
   96   1HD1  ILE  11          HD11      ILE  11   1.007   0.806   4.102
   97   2HD1  ILE  11          HD12      ILE  11  -0.670   1.166   3.690
   98   3HD1  ILE  11          HD13      ILE  11   0.401   2.456   4.236
   99    H    THR  12           HN       THR  12   2.047  -0.777  -1.005
  100    HA   THR  12           HA       THR  12   4.581  -1.958  -0.578
  101    HB   THR  12           HB       THR  12   3.775  -3.217  -2.817
  102    HG1  THR  12           HG1      THR  12   1.448  -2.028  -1.680
  103   1HG2  THR  12          HG21      THR  12   2.112  -4.013  -0.550
  104   2HG2  THR  12          HG22      THR  12   3.804  -3.757  -0.121
  105   3HG2  THR  12          HG23      THR  12   3.381  -4.905  -1.391
  106    H    ASN  13           HN       ASN  13   3.858   0.734  -2.320
  107    HA   ASN  13           HA       ASN  13   5.689   0.227  -4.527
  108   1HB   ASN  13          HB2       ASN  13   3.937   2.581  -3.813
  109   2HB   ASN  13          HB1       ASN  13   5.068   2.605  -5.163
  110   1HD2  ASN  13          HD21      ASN  13   2.064   1.423  -3.967
  111   2HD2  ASN  13          HD22      ASN  13   1.519   0.694  -5.435
  112    H    TRP  14           HN       TRP  14   5.457   2.315  -1.662
  113    HA   TRP  14           HA       TRP  14   8.209   3.204  -2.131
  114   1HB   TRP  14          HB2       TRP  14   7.637   4.709  -0.077
  115   2HB   TRP  14          HB1       TRP  14   6.994   5.115  -1.663
  116    HD1  TRP  14           HD1      TRP  14   4.351   4.186  -2.062
  117    HE1  TRP  14           HE1      TRP  14   2.399   4.269  -0.396
  118    HE3  TRP  14           HE3      TRP  14   7.012   4.664   2.268
  119    HZ2  TRP  14           HZ2      TRP  14   2.033   4.514   2.397
  120    HZ3  TRP  14           HZ3      TRP  14   5.790   4.819   4.396
  121    HH2  TRP  14           HH2      TRP  14   3.350   4.745   4.458
  122    H    LEU  15           HN       LEU  15   6.198   1.598   0.299
  123    HA   LEU  15           HA       LEU  15   8.122   1.330   2.300
  124   1HB   LEU  15          HB2       LEU  15   6.597   0.047   3.359
  125   2HB   LEU  15          HB1       LEU  15   5.535   0.604   2.084
  126    HG   LEU  15           HG       LEU  15   6.382  -1.555   0.850
  127   1HD1  LEU  15          HD11      LEU  15   7.166  -3.285   2.130
  128   2HD1  LEU  15          HD12      LEU  15   6.490  -2.634   3.622
  129   3HD1  LEU  15          HD13      LEU  15   7.944  -1.916   2.926
  130   1HD2  LEU  15          HD21      LEU  15   4.508  -2.813   1.922
  131   2HD2  LEU  15          HD22      LEU  15   4.079  -1.198   1.359
  132   3HD2  LEU  15          HD23      LEU  15   4.357  -1.488   3.076
  133    H    TRP  16           HN       TRP  16   7.539  -0.526  -0.619
  134    HA   TRP  16           HA       TRP  16   9.282  -2.677  -0.105
  135   1HB   TRP  16          HB2       TRP  16   7.653  -1.803  -2.244
  136   2HB   TRP  16          HB1       TRP  16   9.279  -1.962  -2.900
  137    HD1  TRP  16           HD1      TRP  16   9.662  -4.260  -3.915
  138    HE1  TRP  16           HE1      TRP  16   8.852  -6.659  -3.448
  139    HE3  TRP  16           HE3      TRP  16   6.667  -3.334   0.124
  140    HZ2  TRP  16           HZ2      TRP  16   7.166  -7.982  -1.612
  141    HZ3  TRP  16           HZ3      TRP  16   5.490  -5.221   1.176
  142    HH2  TRP  16           HH2      TRP  16   5.734  -7.496   0.324
  143    H    TYR  17           HN       TYR  17   9.740   0.553  -1.343
  144    HA   TYR  17           HA       TYR  17  12.428   0.258  -2.195
  145   1HB   TYR  17          HB2       TYR  17  11.551   2.158  -3.125
  146   2HB   TYR  17          HB1       TYR  17  10.531   2.497  -1.732
  147    HD1  TYR  17           HD1      TYR  17  14.023   2.707  -2.977
  148    HD2  TYR  17           HD2      TYR  17  11.183   4.089  -0.124
  149    HE1  TYR  17           HE1      TYR  17  15.602   4.451  -2.260
  150    HE2  TYR  17           HE2      TYR  17  12.755   5.840   0.598
  151    HH   TYR  17           HH       TYR  17  16.047   5.979  -0.639
  152    H    ILE  18           HN       ILE  18  10.884   1.163   0.831
  153    HA   ILE  18           HA       ILE  18  13.255   1.942   2.193
  154    HB   ILE  18           HB       ILE  18  10.630   0.974   3.341
  155   1HG1  ILE  18          HG12      ILE  18  11.415   3.846   3.313
  156   2HG1  ILE  18          HG11      ILE  18  10.889   3.139   1.789
  157   1HG2  ILE  18          HG21      ILE  18  11.763   2.734   5.132
  158   2HG2  ILE  18          HG22      ILE  18  13.139   1.789   4.565
  159   3HG2  ILE  18          HG23      ILE  18  11.744   0.976   5.274
  160   1HD1  ILE  18          HD11      ILE  18   8.745   2.896   2.485
  161   2HD1  ILE  18          HD12      ILE  18   9.206   4.285   3.470
  162   3HD1  ILE  18          HD13      ILE  18   9.199   2.667   4.173
  163    H    LYS  19           HN       LYS  19  11.588  -1.096   1.710
  164    HA   LYS  19           HA       LYS  19  12.973  -2.577   3.699
  165   1HB   LYS  19          HB2       LYS  19  10.923  -3.058   1.783
  166   2HB   LYS  19          HB1       LYS  19  12.167  -4.279   1.556
  167   1HG   LYS  19          HG2       LYS  19  10.916  -5.336   3.118
  168   2HG   LYS  19          HG1       LYS  19  11.974  -4.424   4.196
  169   1HD   LYS  19          HD2       LYS  19   9.843  -2.710   3.560
  170   2HD   LYS  19          HD1       LYS  19   9.120  -4.285   3.897
  171   1HE   LYS  19          HE2       LYS  19  10.925  -2.663   5.681
  172   2HE   LYS  19          HE1       LYS  19   9.232  -3.080   5.954
  173   1HZ   LYS  19          HZ1       LYS  19  11.474  -5.035   5.845
  174   2HZ   LYS  19          HZ2       LYS  19   9.855  -5.397   6.170
  175   3HZ   LYS  19          HZ3       LYS  19  10.748  -4.466   7.265
  176   1HN   NH2  20          HN1       LYS  19  13.629  -2.246   0.125
  177   2HN   NH2  20          HN2       LYS  19  14.773  -3.539   0.168
  Start of MODEL   34
    1   1H    LYS   1          HT1       LYS   1  16.386   0.118  -3.318
    2   2H    LYS   1          HT2       LYS   1  17.955   0.464  -2.789
    3   3H    LYS   1          HT3       LYS   1  16.742   1.636  -2.660
    4    HA   LYS   1           HA       LYS   1  17.387  -0.549  -0.911
    5   1HB   LYS   1          HB2       LYS   1  16.445   2.211  -0.867
    6   2HB   LYS   1          HB1       LYS   1  15.607   1.203   0.305
    7   1HG   LYS   1          HG2       LYS   1  18.513   0.844   0.262
    8   2HG   LYS   1          HG1       LYS   1  17.975   2.456   0.738
    9   1HD   LYS   1          HD2       LYS   1  16.929   1.697   2.631
   10   2HD   LYS   1          HD1       LYS   1  16.621   0.099   1.950
   11   1HE   LYS   1          HE2       LYS   1  19.381   1.067   2.650
   12   2HE   LYS   1          HE1       LYS   1  18.345   0.227   3.804
   13   1HZ   LYS   1          HZ1       LYS   1  18.979  -0.930   1.158
   14   2HZ   LYS   1          HZ2       LYS   1  18.395  -1.716   2.537
   15   3HZ   LYS   1          HZ3       LYS   1  19.992  -1.161   2.494
   16    H    TRP   2           HN       TRP   2  15.256  -0.713   0.741
   17    HA   TRP   2           HA       TRP   2  13.483  -2.439  -0.741
   18   1HB   TRP   2          HB2       TRP   2  12.490  -2.910   1.495
   19   2HB   TRP   2          HB1       TRP   2  14.228  -3.183   1.433
   20    HD1  TRP   2           HD1      TRP   2  15.763  -1.669   2.958
   21    HE1  TRP   2           HE1      TRP   2  15.259  -0.025   4.873
   22    HE3  TRP   2           HE3      TRP   2  10.722  -1.145   2.277
   23    HZ2  TRP   2           HZ2      TRP   2  13.022   1.318   5.951
   24    HZ3  TRP   2           HZ3      TRP   2   9.476   0.339   3.792
   25    HH2  TRP   2           HH2      TRP   2  10.602   1.544   5.591
   26    H    ALA   3           HN       ALA   3  13.527   0.725  -0.653
   27    HA   ALA   3           HA       ALA   3  10.937   1.464   0.244
   28   1HB   ALA   3          HB1       ALA   3  12.022   3.202  -1.807
   29   2HB   ALA   3          HB2       ALA   3  13.209   2.809  -0.563
   30   3HB   ALA   3          HB3       ALA   3  11.666   3.536  -0.112
   31    H    SER   4           HN       SER   4  11.438  -0.677  -2.022
   32    HA   SER   4           HA       SER   4   9.546   0.429  -3.974
   33   1HB   SER   4          HB2       SER   4  11.432  -1.927  -4.146
   34   2HB   SER   4          HB1       SER   4  10.241  -1.529  -5.385
   35    HG   SER   4           HG       SER   4  11.529   0.691  -4.916
   36    H    LEU   5           HN       LEU   5   8.787  -0.572  -1.316
   37    HA   LEU   5           HA       LEU   5   6.901  -2.632  -2.224
   38   1HB   LEU   5          HB2       LEU   5   7.090  -3.826  -0.139
   39   2HB   LEU   5          HB1       LEU   5   8.669  -3.702  -0.889
   40    HG   LEU   5           HG       LEU   5   8.841  -1.577   0.721
   41   1HD1  LEU   5          HD11      LEU   5   7.835  -2.229   2.923
   42   2HD1  LEU   5          HD12      LEU   5   6.867  -3.419   2.052
   43   3HD1  LEU   5          HD13      LEU   5   6.677  -1.701   1.702
   44   1HD2  LEU   5          HD21      LEU   5  10.027  -2.997   2.300
   45   2HD2  LEU   5          HD22      LEU   5  10.378  -3.484   0.641
   46   3HD2  LEU   5          HD23      LEU   5   9.253  -4.427   1.618
   47    H    TRP   6           HN       TRP   6   7.569   0.177  -0.314
   48    HA   TRP   6           HA       TRP   6   5.089   0.193   1.106
   49   1HB   TRP   6          HB2       TRP   6   5.813   2.154   2.089
   50   2HB   TRP   6          HB1       TRP   6   7.347   1.417   1.645
   51    HD1  TRP   6           HD1      TRP   6   8.781   2.614  -0.250
   52    HE1  TRP   6           HE1      TRP   6   8.650   4.956  -1.311
   53    HE3  TRP   6           HE3      TRP   6   4.124   3.981   1.364
   54    HZ2  TRP   6           HZ2      TRP   6   6.815   7.099  -1.445
   55    HZ3  TRP   6           HZ3      TRP   6   3.256   6.194   0.726
   56    HH2  TRP   6           HH2      TRP   6   4.575   7.720  -0.649
   57    H    ASN   7           HN       ASN   7   6.137   1.301  -2.013
   58    HA   ASN   7           HA       ASN   7   4.262   3.274  -2.558
   59   1HB   ASN   7          HB2       ASN   7   4.524   1.901  -4.964
   60   2HB   ASN   7          HB1       ASN   7   5.514   3.249  -4.416
   61   1HD2  ASN   7          HD21      ASN   7   5.250  -0.256  -3.914
   62   2HD2  ASN   7          HD22      ASN   7   6.947  -0.565  -3.997
   63    H    TRP   8           HN       TRP   8   3.871  -0.145  -2.321
   64    HA   TRP   8           HA       TRP   8   1.063   0.117  -3.172
   65   1HB   TRP   8          HB2       TRP   8   1.163  -1.860  -4.277
   66   2HB   TRP   8          HB1       TRP   8   2.888  -1.518  -4.321
   67    HD1  TRP   8           HD1      TRP   8   4.473  -3.000  -2.781
   68    HE1  TRP   8           HE1      TRP   8   4.100  -5.242  -1.563
   69    HE3  TRP   8           HE3      TRP   8  -0.618  -3.214  -3.038
   70    HZ2  TRP   8           HZ2      TRP   8   1.918  -6.882  -0.810
   71    HZ3  TRP   8           HZ3      TRP   8  -1.775  -5.137  -2.049
   72    HH2  TRP   8           HH2      TRP   8  -0.534  -6.939  -0.956
   73    H    PHE   9           HN       PHE   9   3.257  -0.883  -0.682
   74    HA   PHE   9           HA       PHE   9   1.455  -2.417   0.869
   75   1HB   PHE   9          HB2       PHE   9   4.026  -2.217   1.086
   76   2HB   PHE   9          HB1       PHE   9   3.691  -0.783   2.051
   77    HD1  PHE   9           HD1      PHE   9   2.824  -4.393   1.811
   78    HD2  PHE   9           HD2      PHE   9   3.329  -0.995   4.322
   79    HE1  PHE   9           HE1      PHE   9   2.494  -5.813   3.793
   80    HE2  PHE   9           HE2      PHE   9   3.001  -2.408   6.308
   81    HZ   PHE   9           HZ       PHE   9   2.581  -4.821   6.046
   82    H    ASN  10           HN       ASN  10   1.792   0.936   0.298
   83    HA   ASN  10           HA       ASN  10   0.277   1.687   2.669
   84   1HB   ASN  10          HB2       ASN  10   1.027   3.821   2.346
   85   2HB   ASN  10          HB1       ASN  10   2.282   2.982   1.441
   86   1HD2  ASN  10          HD21      ASN  10   1.473   2.486  -0.917
   87   2HD2  ASN  10          HD22      ASN  10   0.839   3.861  -1.747
   88    H    ILE  11           HN       ILE  11  -0.260   0.745  -0.506
   89    HA   ILE  11           HA       ILE  11  -2.613   2.296  -1.032
   90    HB   ILE  11           HB       ILE  11  -1.720  -0.272  -2.353
   91   1HG1  ILE  11          HG12      ILE  11  -1.179   2.617  -3.077
   92   2HG1  ILE  11          HG11      ILE  11   0.012   1.430  -2.549
   93   1HG2  ILE  11          HG21      ILE  11  -3.980   1.557  -2.764
   94   2HG2  ILE  11          HG22      ILE  11  -3.792  -0.136  -3.218
   95   3HG2  ILE  11          HG23      ILE  11  -3.095   1.130  -4.229
   96   1HD1  ILE  11          HD11      ILE  11  -1.557   1.369  -5.117
   97   2HD1  ILE  11          HD12      ILE  11  -0.421   0.128  -4.587
   98   3HD1  ILE  11          HD13      ILE  11   0.153   1.760  -4.932
   99    H    THR  12           HN       THR  12  -1.889  -0.748   0.489
  100    HA   THR  12           HA       THR  12  -4.518  -1.832   0.442
  101    HB   THR  12           HB       THR  12  -3.527  -3.101   2.540
  102    HG1  THR  12           HG1      THR  12  -1.621  -1.433   2.178
  103   1HG2  THR  12          HG21      THR  12  -1.957  -4.034   0.329
  104   2HG2  THR  12          HG22      THR  12  -3.548  -3.535  -0.246
  105   3HG2  THR  12          HG23      THR  12  -3.411  -4.741   1.034
  106    H    ASN  13           HN       ASN  13  -3.447   0.892   1.884
  107    HA   ASN  13           HA       ASN  13  -4.873   0.612   4.399
  108   1HB   ASN  13          HB2       ASN  13  -3.190   2.783   3.172
  109   2HB   ASN  13          HB1       ASN  13  -4.160   3.087   4.610
  110   1HD2  ASN  13          HD21      ASN  13  -2.166   0.364   3.514
  111   2HD2  ASN  13          HD22      ASN  13  -1.187   0.287   4.936
  112    H    TRP  14           HN       TRP  14  -5.172   2.383   1.350
  113    HA   TRP  14           HA       TRP  14  -7.783   3.395   2.220
  114   1HB   TRP  14          HB2       TRP  14  -7.532   4.652  -0.087
  115   2HB   TRP  14          HB1       TRP  14  -6.720   5.240   1.358
  116    HD1  TRP  14           HD1      TRP  14  -4.034   4.357   1.555
  117    HE1  TRP  14           HE1      TRP  14  -2.287   4.250  -0.324
  118    HE3  TRP  14           HE3      TRP  14  -7.179   4.364  -2.470
  119    HZ2  TRP  14           HZ2      TRP  14  -2.246   4.184  -3.148
  120    HZ3  TRP  14           HZ3      TRP  14  -6.206   4.279  -4.728
  121    HH2  TRP  14           HH2      TRP  14  -3.789   4.191  -5.058
  122    H    LEU  15           HN       LEU  15  -6.229   1.459  -0.280
  123    HA   LEU  15           HA       LEU  15  -8.488   1.070  -1.900
  124   1HB   LEU  15          HB2       LEU  15  -7.154  -0.270  -3.121
  125   2HB   LEU  15          HB1       LEU  15  -5.886   0.353  -2.088
  126    HG   LEU  15           HG       LEU  15  -6.496  -1.710  -0.592
  127   1HD1  LEU  15          HD11      LEU  15  -8.435  -2.210  -2.235
  128   2HD1  LEU  15          HD12      LEU  15  -7.449  -3.545  -1.634
  129   3HD1  LEU  15          HD13      LEU  15  -7.169  -2.900  -3.252
  130   1HD2  LEU  15          HD21      LEU  15  -4.838  -3.051  -1.866
  131   2HD2  LEU  15          HD22      LEU  15  -4.326  -1.389  -1.569
  132   3HD2  LEU  15          HD23      LEU  15  -4.927  -1.855  -3.160
  133    H    TRP  16           HN       TRP  16  -7.334  -0.579   0.991
  134    HA   TRP  16           HA       TRP  16  -9.129  -2.743   0.984
  135   1HB   TRP  16          HB2       TRP  16  -7.186  -1.650   2.756
  136   2HB   TRP  16          HB1       TRP  16  -8.674  -1.854   3.671
  137    HD1  TRP  16           HD1      TRP  16  -8.604  -4.068   4.927
  138    HE1  TRP  16           HE1      TRP  16  -7.781  -6.457   4.434
  139    HE3  TRP  16           HE3      TRP  16  -6.695  -3.321   0.243
  140    HZ2  TRP  16           HZ2      TRP  16  -6.493  -7.841   2.338
  141    HZ3  TRP  16           HZ3      TRP  16  -5.684  -5.229  -0.937
  142    HH2  TRP  16           HH2      TRP  16  -5.586  -7.441   0.090
  143    H    TYR  17           HN       TYR  17  -9.444   0.600   1.776
  144    HA   TYR  17           HA       TYR  17 -11.977   0.354   3.125
  145   1HB   TYR  17          HB2       TYR  17 -10.973   2.249   3.916
  146   2HB   TYR  17          HB1       TYR  17 -10.086   2.529   2.422
  147    HD1  TYR  17           HD1      TYR  17 -13.322   3.019   4.129
  148    HD2  TYR  17           HD2      TYR  17 -10.943   3.985   0.736
  149    HE1  TYR  17           HE1      TYR  17 -14.901   4.808   3.539
  150    HE2  TYR  17           HE2      TYR  17 -12.515   5.779   0.138
  151    HH   TYR  17           HH       TYR  17 -14.861   6.377   0.526
  152    H    ILE  18           HN       ILE  18 -10.791   0.934  -0.092
  153    HA   ILE  18           HA       ILE  18 -13.347   1.756  -1.161
  154    HB   ILE  18           HB       ILE  18 -10.825   0.972  -2.630
  155   1HG1  ILE  18          HG12      ILE  18 -11.729   3.800  -2.209
  156   2HG1  ILE  18          HG11      ILE  18 -10.828   2.979  -0.938
  157   1HG2  ILE  18          HG21      ILE  18 -13.426   2.176  -3.476
  158   2HG2  ILE  18          HG22      ILE  18 -12.487   0.887  -4.230
  159   3HG2  ILE  18          HG23      ILE  18 -11.946   2.562  -4.355
  160   1HD1  ILE  18          HD11      ILE  18  -9.398   4.334  -2.398
  161   2HD1  ILE  18          HD12      ILE  18  -9.880   3.338  -3.772
  162   3HD1  ILE  18          HD13      ILE  18  -8.972   2.622  -2.440
  163    H    LYS  19           HN       LYS  19 -11.190  -0.816  -2.315
  164    HA   LYS  19           HA       LYS  19 -13.347  -2.363  -3.340
  165   1HB   LYS  19          HB2       LYS  19 -11.287  -2.547  -4.486
  166   2HB   LYS  19          HB1       LYS  19 -10.396  -2.862  -3.004
  167   1HG   LYS  19          HG2       LYS  19 -11.680  -5.025  -2.835
  168   2HG   LYS  19          HG1       LYS  19 -12.247  -4.712  -4.476
  169   1HD   LYS  19          HD2       LYS  19 -10.301  -5.354  -5.368
  170   2HD   LYS  19          HD1       LYS  19  -9.370  -4.394  -4.216
  171   1HE   LYS  19          HE2       LYS  19  -8.821  -6.744  -3.985
  172   2HE   LYS  19          HE1       LYS  19  -9.647  -6.163  -2.537
  173   1HZ   LYS  19          HZ1       LYS  19 -11.719  -7.125  -3.423
  174   2HZ   LYS  19          HZ2       LYS  19 -10.527  -8.300  -3.172
  175   3HZ   LYS  19          HZ3       LYS  19 -10.861  -7.755  -4.739
  176   1HN   NH2  20          HN1       LYS  19 -12.243  -2.046  -0.148
  177   2HN   NH2  20          HN2       LYS  19 -13.182  -3.379   0.423
  Start of MODEL   35
    1   1H    LYS   1          HT1       LYS   1  18.194  -0.373   3.988
    2   2H    LYS   1          HT2       LYS   1  16.916   0.649   4.416
    3   3H    LYS   1          HT3       LYS   1  18.351   1.301   3.803
    4    HA   LYS   1           HA       LYS   1  17.905   0.730   1.664
    5   1HB   LYS   1          HB2       LYS   1  17.084  -1.660   2.933
    6   2HB   LYS   1          HB1       LYS   1  15.745  -1.154   1.911
    7   1HG   LYS   1          HG2       LYS   1  18.396  -1.025   0.652
    8   2HG   LYS   1          HG1       LYS   1  17.831  -2.644   1.069
    9   1HD   LYS   1          HD2       LYS   1  15.639  -1.954  -0.079
   10   2HD   LYS   1          HD1       LYS   1  16.579  -0.629  -0.770
   11   1HE   LYS   1          HE2       LYS   1  16.566  -2.439  -2.339
   12   2HE   LYS   1          HE1       LYS   1  18.185  -2.313  -1.651
   13   1HZ   LYS   1          HZ1       LYS   1  17.857  -4.536  -1.459
   14   2HZ   LYS   1          HZ2       LYS   1  16.177  -4.409  -1.307
   15   3HZ   LYS   1          HZ3       LYS   1  17.173  -4.064   0.015
   16    H    TRP   2           HN       TRP   2  15.574   0.497   0.374
   17    HA   TRP   2           HA       TRP   2  13.842   2.540   1.604
   18   1HB   TRP   2          HB2       TRP   2  13.409   3.445  -0.593
   19   2HB   TRP   2          HB1       TRP   2  15.151   3.357  -0.359
   20    HD1  TRP   2           HD1      TRP   2  16.461   1.392  -1.731
   21    HE1  TRP   2           HE1      TRP   2  15.880   0.251  -3.964
   22    HE3  TRP   2           HE3      TRP   2  11.520   2.669  -2.038
   23    HZ2  TRP   2           HZ2      TRP   2  13.625  -0.063  -5.632
   24    HZ3  TRP   2           HZ3      TRP   2  10.223   1.909  -3.985
   25    HH2  TRP   2           HH2      TRP   2  11.256   0.570  -5.745
   26    H    ALA   3           HN       ALA   3  13.908  -0.588   1.183
   27    HA   ALA   3           HA       ALA   3  11.454  -1.082  -0.226
   28   1HB   ALA   3          HB1       ALA   3  12.094  -3.322   1.349
   29   2HB   ALA   3          HB2       ALA   3  13.624  -2.640   0.799
   30   3HB   ALA   3          HB3       ALA   3  12.386  -3.089  -0.375
   31    H    SER   4           HN       SER   4  11.306   0.757   2.056
   32    HA   SER   4           HA       SER   4   9.414  -0.752   3.736
   33   1HB   SER   4          HB2       SER   4  10.455   1.772   4.835
   34   2HB   SER   4          HB1       SER   4  10.224   0.208   5.616
   35    HG   SER   4           HG       SER   4  12.456   1.264   4.401
   36    H    LEU   5           HN       LEU   5   8.978   0.712   1.187
   37    HA   LEU   5           HA       LEU   5   6.890   2.528   2.179
   38   1HB   LEU   5          HB2       LEU   5   7.297   3.979   0.203
   39   2HB   LEU   5          HB1       LEU   5   8.618   3.959   1.355
   40    HG   LEU   5           HG       LEU   5   9.551   2.085  -0.276
   41   1HD1  LEU   5          HD11      LEU   5   8.111   1.824  -1.994
   42   2HD1  LEU   5          HD12      LEU   5   8.958   3.233  -2.631
   43   3HD1  LEU   5          HD13      LEU   5   7.415   3.433  -1.800
   44   1HD2  LEU   5          HD21      LEU   5  11.061   3.730  -0.180
   45   2HD2  LEU   5          HD22      LEU   5   9.823   4.984  -0.104
   46   3HD2  LEU   5          HD23      LEU   5  10.312   4.321  -1.663
   47    H    TRP   6           HN       TRP   6   7.616  -0.212   0.467
   48    HA   TRP   6           HA       TRP   6   5.440   0.094  -1.450
   49   1HB   TRP   6          HB2       TRP   6   6.379  -1.591  -2.682
   50   2HB   TRP   6          HB1       TRP   6   7.817  -1.020  -1.847
   51    HD1  TRP   6           HD1      TRP   6   9.038  -2.699  -0.255
   52    HE1  TRP   6           HE1      TRP   6   8.689  -5.184   0.321
   53    HE3  TRP   6           HE3      TRP   6   4.433  -3.386  -2.367
   54    HZ2  TRP   6           HZ2      TRP   6   6.723  -7.172  -0.070
   55    HZ3  TRP   6           HZ3      TRP   6   3.387  -5.608  -2.221
   56    HH2  TRP   6           HH2      TRP   6   4.511  -7.462  -1.098
   57    H    ASN   7           HN       ASN   7   6.230  -1.630   1.497
   58    HA   ASN   7           HA       ASN   7   4.273  -3.603   1.467
   59   1HB   ASN   7          HB2       ASN   7   4.795  -2.212   4.048
   60   2HB   ASN   7          HB1       ASN   7   4.734  -3.935   3.693
   61   1HD2  ASN   7          HD21      ASN   7   6.706  -1.717   4.783
   62   2HD2  ASN   7          HD22      ASN   7   8.219  -2.264   4.153
   63    H    TRP   8           HN       TRP   8   3.982  -0.201   1.889
   64    HA   TRP   8           HA       TRP   8   1.176  -0.495   2.691
   65   1HB   TRP   8          HB2       TRP   8   1.361   1.394   3.915
   66   2HB   TRP   8          HB1       TRP   8   3.090   1.092   3.804
   67    HD1  TRP   8           HD1      TRP   8   4.525   2.723   2.284
   68    HE1  TRP   8           HE1      TRP   8   4.014   5.016   1.224
   69    HE3  TRP   8           HE3      TRP   8  -0.548   2.751   2.831
   70    HZ2  TRP   8           HZ2      TRP   8   1.749   6.623   0.692
   71    HZ3  TRP   8           HZ3      TRP   8  -1.817   4.695   2.025
   72    HH2  TRP   8           HH2      TRP   8  -0.692   6.593   0.976
   73    H    PHE   9           HN       PHE   9   3.280   0.623   0.171
   74    HA   PHE   9           HA       PHE   9   1.474   2.264  -1.233
   75   1HB   PHE   9          HB2       PHE   9   4.094   1.652  -1.535
   76   2HB   PHE   9          HB1       PHE   9   3.399   0.686  -2.832
   77    HD1  PHE   9           HD1      PHE   9   2.243   1.759  -4.698
   78    HD2  PHE   9           HD2      PHE   9   4.100   4.043  -1.624
   79    HE1  PHE   9           HE1      PHE   9   2.133   3.761  -6.124
   80    HE2  PHE   9           HE2      PHE   9   3.992   6.049  -3.044
   81    HZ   PHE   9           HZ       PHE   9   3.008   5.910  -5.297
   82    H    ASN  10           HN       ASN  10   1.776  -1.168  -0.957
   83    HA   ASN  10           HA       ASN  10   0.093  -1.683  -3.263
   84   1HB   ASN  10          HB2       ASN  10   1.307  -3.572  -3.225
   85   2HB   ASN  10          HB1       ASN  10   1.905  -3.224  -1.607
   86   1HD2  ASN  10          HD21      ASN  10   0.662  -3.931   0.195
   87   2HD2  ASN  10          HD22      ASN  10  -0.413  -5.275   0.044
   88    H    ILE  11           HN       ILE  11  -0.266  -0.958  -0.001
   89    HA   ILE  11           HA       ILE  11  -2.681  -2.411   0.507
   90    HB   ILE  11           HB       ILE  11  -1.636   0.005   1.987
   91   1HG1  ILE  11          HG12      ILE  11  -1.079  -2.943   2.390
   92   2HG1  ILE  11          HG11      ILE  11   0.088  -1.698   1.957
   93   1HG2  ILE  11          HG21      ILE  11  -3.855  -0.322   2.645
   94   2HG2  ILE  11          HG22      ILE  11  -2.912  -1.159   3.879
   95   3HG2  ILE  11          HG23      ILE  11  -3.705  -2.079   2.600
   96   1HD1  ILE  11          HD11      ILE  11  -1.373  -1.962   4.575
   97   2HD1  ILE  11          HD12      ILE  11  -0.297  -0.631   4.149
   98   3HD1  ILE  11          HD13      ILE  11   0.337  -2.272   4.275
   99    H    THR  12           HN       THR  12  -1.880   0.711  -0.826
  100    HA   THR  12           HA       THR  12  -4.396   1.956  -0.509
  101    HB   THR  12           HB       THR  12  -3.410   3.070  -2.816
  102    HG1  THR  12           HG1      THR  12  -1.062   3.227  -2.127
  103   1HG2  THR  12          HG21      THR  12  -3.983   4.502  -1.080
  104   2HG2  THR  12          HG22      THR  12  -2.227   4.660  -1.137
  105   3HG2  THR  12          HG23      THR  12  -2.981   3.644   0.092
  106    H    ASN  13           HN       ASN  13  -3.639  -0.757  -2.240
  107    HA   ASN  13           HA       ASN  13  -5.382  -0.251  -4.505
  108   1HB   ASN  13          HB2       ASN  13  -3.711  -2.605  -3.642
  109   2HB   ASN  13          HB1       ASN  13  -4.848  -2.718  -4.981
  110   1HD2  ASN  13          HD21      ASN  13  -1.778  -1.672  -3.952
  111   2HD2  ASN  13          HD22      ASN  13  -1.253  -0.983  -5.446
  112    H    TRP  14           HN       TRP  14  -5.350  -2.346  -1.631
  113    HA   TRP  14           HA       TRP  14  -8.114  -3.118  -2.189
  114   1HB   TRP  14          HB2       TRP  14  -7.667  -4.583  -0.064
  115   2HB   TRP  14          HB1       TRP  14  -7.006  -5.057  -1.623
  116    HD1  TRP  14           HD1      TRP  14  -4.317  -4.253  -1.989
  117    HE1  TRP  14           HE1      TRP  14  -2.408  -4.355  -0.274
  118    HE3  TRP  14           HE3      TRP  14  -7.093  -4.486   2.296
  119    HZ2  TRP  14           HZ2      TRP  14  -2.113  -4.524   2.529
  120    HZ3  TRP  14           HZ3      TRP  14  -5.919  -4.621   4.454
  121    HH2  TRP  14           HH2      TRP  14  -3.480  -4.639   4.566
  122    H    LEU  15           HN       LEU  15  -6.174  -1.477   0.271
  123    HA   LEU  15           HA       LEU  15  -8.159  -1.133   2.197
  124   1HB   LEU  15          HB2       LEU  15  -6.667   0.181   3.264
  125   2HB   LEU  15          HB1       LEU  15  -5.565  -0.435   2.052
  126    HG   LEU  15           HG       LEU  15  -6.326   1.685   0.708
  127   1HD1  LEU  15          HD11      LEU  15  -6.405   3.355   2.947
  128   2HD1  LEU  15          HD12      LEU  15  -7.579   2.076   3.266
  129   3HD1  LEU  15          HD13      LEU  15  -7.704   3.043   1.796
  130   1HD2  LEU  15          HD21      LEU  15  -4.054   1.114   1.616
  131   2HD2  LEU  15          HD22      LEU  15  -4.490   2.011   3.070
  132   3HD2  LEU  15          HD23      LEU  15  -4.411   2.838   1.515
  133    H    TRP  16           HN       TRP  16  -7.499   0.589  -0.779
  134    HA   TRP  16           HA       TRP  16  -9.237   2.777  -0.401
  135   1HB   TRP  16          HB2       TRP  16  -7.569   1.787  -2.466
  136   2HB   TRP  16          HB1       TRP  16  -9.179   1.945  -3.159
  137    HD1  TRP  16           HD1      TRP  16  -9.434   4.191  -4.327
  138    HE1  TRP  16           HE1      TRP  16  -8.616   6.598  -3.923
  139    HE3  TRP  16           HE3      TRP  16  -6.701   3.418  -0.075
  140    HZ2  TRP  16           HZ2      TRP  16  -7.022   7.985  -2.050
  141    HZ3  TRP  16           HZ3      TRP  16  -5.559   5.337   0.958
  142    HH2  TRP  16           HH2      TRP  16  -5.717   7.572  -0.011
  143    H    TYR  17           HN       TYR  17  -9.676  -0.507  -1.486
  144    HA   TYR  17           HA       TYR  17 -12.365  -0.236  -2.381
  145   1HB   TYR  17          HB2       TYR  17 -11.495  -2.148  -3.287
  146   2HB   TYR  17          HB1       TYR  17 -10.432  -2.439  -1.914
  147    HD1  TYR  17           HD1      TYR  17 -13.852  -2.905  -3.218
  148    HD2  TYR  17           HD2      TYR  17 -11.104  -3.869  -0.116
  149    HE1  TYR  17           HE1      TYR  17 -15.369  -4.674  -2.432
  150    HE2  TYR  17           HE2      TYR  17 -12.614  -5.641   0.678
  151    HH   TYR  17           HH       TYR  17 -15.352  -5.974   0.428
  152    H    ILE  18           HN       ILE  18 -10.806  -0.782   0.669
  153    HA   ILE  18           HA       ILE  18 -13.179  -1.647   2.052
  154    HB   ILE  18           HB       ILE  18 -10.618  -0.642   3.292
  155   1HG1  ILE  18          HG12      ILE  18 -11.259  -3.513   2.600
  156   2HG1  ILE  18          HG11      ILE  18 -10.289  -2.473   1.563
  157   1HG2  ILE  18          HG21      ILE  18 -11.889  -0.925   5.121
  158   2HG2  ILE  18          HG22      ILE  18 -11.566  -2.641   4.872
  159   3HG2  ILE  18          HG23      ILE  18 -13.065  -1.930   4.273
  160   1HD1  ILE  18          HD11      ILE  18  -9.380  -4.079   3.617
  161   2HD1  ILE  18          HD12      ILE  18  -9.334  -2.449   4.289
  162   3HD1  ILE  18          HD13      ILE  18  -8.476  -2.810   2.791
  163    H    LYS  19           HN       LYS  19 -11.702   1.352   1.239
  164    HA   LYS  19           HA       LYS  19 -12.971   2.881   3.326
  165   1HB   LYS  19          HB2       LYS  19 -11.316   3.557   0.916
  166   2HB   LYS  19          HB1       LYS  19 -12.185   4.821   1.776
  167   1HG   LYS  19          HG2       LYS  19 -10.827   3.301   3.720
  168   2HG   LYS  19          HG1       LYS  19  -9.686   3.603   2.408
  169   1HD   LYS  19          HD2       LYS  19  -9.736   5.878   2.705
  170   2HD   LYS  19          HD1       LYS  19 -11.368   5.861   3.378
  171   1HE   LYS  19          HE2       LYS  19 -10.269   4.582   5.348
  172   2HE   LYS  19          HE1       LYS  19  -8.761   5.243   4.713
  173   1HZ   LYS  19          HZ1       LYS  19  -9.658   6.695   6.405
  174   2HZ   LYS  19          HZ2       LYS  19 -11.133   6.814   5.585
  175   3HZ   LYS  19          HZ3       LYS  19  -9.733   7.475   4.905
  176   1HN   NH2  20          HN1       LYS  19 -13.808   2.305  -0.200
  177   2HN   NH2  20          HN2       LYS  19 -14.630   3.823  -0.256
  Start of MODEL   36
    1   1H    LYS   1          HT1       LYS   1 -16.436  -0.092   5.452
    2   2H    LYS   1          HT2       LYS   1 -16.149   1.568   5.611
    3   3H    LYS   1          HT3       LYS   1 -14.850   0.486   5.576
    4    HA   LYS   1           HA       LYS   1 -16.718   0.679   3.308
    5   1HB   LYS   1          HB2       LYS   1 -15.065   2.765   4.286
    6   2HB   LYS   1          HB1       LYS   1 -14.289   2.136   2.839
    7   1HG   LYS   1          HG2       LYS   1 -17.204   2.770   2.793
    8   2HG   LYS   1          HG1       LYS   1 -16.017   4.070   2.663
    9   1HD   LYS   1          HD2       LYS   1 -15.175   2.027   0.914
   10   2HD   LYS   1          HD1       LYS   1 -16.910   2.228   0.658
   11   1HE   LYS   1          HE2       LYS   1 -16.596   4.616   0.306
   12   2HE   LYS   1          HE1       LYS   1 -14.868   4.450   0.617
   13   1HZ   LYS   1          HZ1       LYS   1 -14.511   3.787  -1.461
   14   2HZ   LYS   1          HZ2       LYS   1 -16.087   4.285  -1.817
   15   3HZ   LYS   1          HZ3       LYS   1 -15.781   2.669  -1.426
   16    H    TRP   2           HN       TRP   2 -15.897  -0.299   1.445
   17    HA   TRP   2           HA       TRP   2 -14.092  -2.461   1.912
   18   1HB   TRP   2          HB2       TRP   2 -14.566  -3.134  -0.331
   19   2HB   TRP   2          HB1       TRP   2 -16.069  -2.512   0.343
   20    HD1  TRP   2           HD1      TRP   2 -16.983  -0.180  -0.638
   21    HE1  TRP   2           HE1      TRP   2 -16.504   1.042  -2.853
   22    HE3  TRP   2           HE3      TRP   2 -12.744  -2.670  -2.040
   23    HZ2  TRP   2           HZ2      TRP   2 -14.582   0.960  -4.920
   24    HZ3  TRP   2           HZ3      TRP   2 -11.646  -2.038  -4.149
   25    HH2  TRP   2           HH2      TRP   2 -12.549  -0.259  -5.559
   26    H    ALA   3           HN       ALA   3 -13.567   0.752   1.308
   27    HA   ALA   3           HA       ALA   3 -11.343   0.572  -0.484
   28   1HB   ALA   3          HB1       ALA   3 -12.835   2.665   0.848
   29   2HB   ALA   3          HB2       ALA   3 -11.930   2.711  -0.665
   30   3HB   ALA   3          HB3       ALA   3 -11.099   2.977   0.868
   31    H    SER   4           HN       SER   4 -11.481  -0.823   2.316
   32    HA   SER   4           HA       SER   4  -9.088   0.255   3.558
   33   1HB   SER   4          HB2       SER   4  -9.494  -1.462   5.291
   34   2HB   SER   4          HB1       SER   4 -10.921  -0.464   5.007
   35    HG   SER   4           HG       SER   4 -11.399  -2.716   5.110
   36    H    LEU   5           HN       LEU   5  -8.993  -1.009   0.875
   37    HA   LEU   5           HA       LEU   5  -6.962  -3.038   1.507
   38   1HB   LEU   5          HB2       LEU   5  -7.646  -4.334  -0.453
   39   2HB   LEU   5          HB1       LEU   5  -8.928  -4.215   0.736
   40    HG   LEU   5           HG       LEU   5  -9.600  -2.142  -0.850
   41   1HD1  LEU   5          HD11      LEU   5  -9.343  -3.487  -3.187
   42   2HD1  LEU   5          HD12      LEU   5  -7.798  -3.849  -2.417
   43   3HD1  LEU   5          HD13      LEU   5  -8.286  -2.173  -2.670
   44   1HD2  LEU   5          HD21      LEU   5 -11.218  -3.728  -0.283
   45   2HD2  LEU   5          HD22      LEU   5 -10.308  -5.053  -1.009
   46   3HD2  LEU   5          HD23      LEU   5 -11.093  -3.854  -2.037
   47    H    TRP   6           HN       TRP   6  -7.506  -0.080   0.192
   48    HA   TRP   6           HA       TRP   6  -5.430  -0.420  -1.862
   49   1HB   TRP   6          HB2       TRP   6  -6.329   1.329  -3.076
   50   2HB   TRP   6          HB1       TRP   6  -7.777   0.631  -2.364
   51    HD1  TRP   6           HD1      TRP   6  -9.205   2.156  -0.801
   52    HE1  TRP   6           HE1      TRP   6  -9.049   4.619  -0.074
   53    HE3  TRP   6           HE3      TRP   6  -4.507   3.217  -2.520
   54    HZ2  TRP   6           HZ2      TRP   6  -7.183   6.733  -0.211
   55    HZ3  TRP   6           HZ3      TRP   6  -3.610   5.483  -2.181
   56    HH2  TRP   6           HH2      TRP   6  -4.923   7.204  -1.052
   57    H    ASN   7           HN       ASN   7  -6.273   1.316   1.056
   58    HA   ASN   7           HA       ASN   7  -4.323   3.301   1.045
   59   1HB   ASN   7          HB2       ASN   7  -5.047   1.874   3.582
   60   2HB   ASN   7          HB1       ASN   7  -4.760   3.592   3.319
   61   1HD2  ASN   7          HD21      ASN   7  -7.061   1.174   3.617
   62   2HD2  ASN   7          HD22      ASN   7  -8.449   2.081   3.128
   63    H    TRP   8           HN       TRP   8  -3.989  -0.081   1.352
   64    HA   TRP   8           HA       TRP   8  -1.252   0.200   2.381
   65   1HB   TRP   8          HB2       TRP   8  -1.472  -1.802   3.428
   66   2HB   TRP   8          HB1       TRP   8  -3.189  -1.441   3.300
   67    HD1  TRP   8           HD1      TRP   8  -4.624  -2.895   1.600
   68    HE1  TRP   8           HE1      TRP   8  -4.147  -5.114   0.380
   69    HE3  TRP   8           HE3      TRP   8   0.417  -3.135   2.326
   70    HZ2  TRP   8           HZ2      TRP   8  -1.910  -6.748  -0.200
   71    HZ3  TRP   8           HZ3      TRP   8   1.657  -5.043   1.411
   72    HH2  TRP   8           HH2      TRP   8   0.519  -6.819   0.173
   73    H    PHE   9           HN       PHE   9  -3.147  -0.827  -0.350
   74    HA   PHE   9           HA       PHE   9  -1.160  -2.325  -1.685
   75   1HB   PHE   9          HB2       PHE   9  -3.810  -1.333  -2.269
   76   2HB   PHE   9          HB1       PHE   9  -2.752  -1.104  -3.656
   77    HD1  PHE   9           HD1      PHE   9  -0.999  -3.580  -3.031
   78    HD2  PHE   9           HD2      PHE   9  -5.203  -2.971  -3.292
   79    HE1  PHE   9           HE1      PHE   9  -1.299  -5.943  -3.645
   80    HE2  PHE   9           HE2      PHE   9  -5.510  -5.334  -3.905
   81    HZ   PHE   9           HZ       PHE   9  -3.557  -6.823  -4.081
   82    H    ASN  10           HN       ASN  10  -1.660   1.056  -1.256
   83    HA   ASN  10           HA       ASN  10   0.109   1.797  -3.432
   84   1HB   ASN  10          HB2       ASN  10  -0.796   3.856  -3.251
   85   2HB   ASN  10          HB1       ASN  10  -1.987   3.087  -2.207
   86   1HD2  ASN  10          HD21      ASN  10  -1.109   2.837   0.137
   87   2HD2  ASN  10          HD22      ASN  10  -0.418   4.272   0.806
   88    H    ILE  11           HN       ILE  11   0.370   0.796  -0.258
   89    HA   ILE  11           HA       ILE  11   2.694   2.329   0.471
   90    HB   ILE  11           HB       ILE  11   1.638  -0.179   1.781
   91   1HG1  ILE  11          HG12      ILE  11   0.978   2.732   2.279
   92   2HG1  ILE  11          HG11      ILE  11  -0.130   1.474   1.737
   93   1HG2  ILE  11          HG21      ILE  11   2.905   1.718   3.527
   94   2HG2  ILE  11          HG22      ILE  11   3.987   1.287   2.203
   95   3HG2  ILE  11          HG23      ILE  11   3.307   0.027   3.232
   96   1HD1  ILE  11          HD11      ILE  11   0.768   0.420   4.070
   97   2HD1  ILE  11          HD12      ILE  11  -0.704   1.376   3.892
   98   3HD1  ILE  11          HD13      ILE  11   0.788   2.146   4.431
   99    H    THR  12           HN       THR  12   2.026  -0.761  -1.009
  100    HA   THR  12           HA       THR  12   4.576  -1.938  -0.658
  101    HB   THR  12           HB       THR  12   3.789  -3.139  -2.907
  102    HG1  THR  12           HG1      THR  12   1.242  -2.961  -2.178
  103   1HG2  THR  12          HG21      THR  12   4.030  -4.244  -0.752
  104   2HG2  THR  12          HG22      THR  12   2.517  -4.727  -1.517
  105   3HG2  THR  12          HG23      THR  12   2.505  -3.550  -0.204
  106    H    ASN  13           HN       ASN  13   3.813   0.822  -2.269
  107    HA   ASN  13           HA       ASN  13   5.601   0.425  -4.528
  108   1HB   ASN  13          HB2       ASN  13   3.801   2.682  -3.667
  109   2HB   ASN  13          HB1       ASN  13   4.970   2.877  -4.971
  110   1HD2  ASN  13          HD21      ASN  13   2.263   0.881  -3.897
  111   2HD2  ASN  13          HD22      ASN  13   1.686   0.500  -5.480
  112    H    TRP  14           HN       TRP  14   5.409   2.447  -1.606
  113    HA   TRP  14           HA       TRP  14   8.147   3.351  -2.080
  114   1HB   TRP  14          HB2       TRP  14   7.608   4.708   0.096
  115   2HB   TRP  14          HB1       TRP  14   6.952   5.220  -1.452
  116    HD1  TRP  14           HD1      TRP  14   4.302   4.326  -1.893
  117    HE1  TRP  14           HE1      TRP  14   2.366   4.286  -0.207
  118    HE3  TRP  14           HE3      TRP  14   7.001   4.498   2.443
  119    HZ2  TRP  14           HZ2      TRP  14   2.022   4.330   2.594
  120    HZ3  TRP  14           HZ3      TRP  14   5.791   4.498   4.584
  121    HH2  TRP  14           HH2      TRP  14   3.352   4.416   4.657
  122    H    LEU  15           HN       LEU  15   6.237   1.557   0.293
  123    HA   LEU  15           HA       LEU  15   8.245   1.200   2.207
  124   1HB   LEU  15          HB2       LEU  15   6.755  -0.116   3.265
  125   2HB   LEU  15          HB1       LEU  15   5.645   0.488   2.054
  126    HG   LEU  15           HG       LEU  15   6.480  -1.622   0.711
  127   1HD1  LEU  15          HD11      LEU  15   7.302  -3.381   1.904
  128   2HD1  LEU  15          HD12      LEU  15   6.588  -2.832   3.420
  129   3HD1  LEU  15          HD13      LEU  15   8.042  -2.050   2.796
  130   1HD2  LEU  15          HD21      LEU  15   4.605  -2.904   1.732
  131   2HD2  LEU  15          HD22      LEU  15   4.181  -1.256   1.269
  132   3HD2  LEU  15          HD23      LEU  15   4.481  -1.646   2.962
  133    H    TRP  16           HN       TRP  16   7.557  -0.491  -0.794
  134    HA   TRP  16           HA       TRP  16   9.333  -2.660  -0.430
  135   1HB   TRP  16          HB2       TRP  16   7.617  -1.695  -2.483
  136   2HB   TRP  16          HB1       TRP  16   9.214  -1.898  -3.193
  137    HD1  TRP  16           HD1      TRP  16   9.457  -4.187  -4.276
  138    HE1  TRP  16           HE1      TRP  16   8.589  -6.565  -3.811
  139    HE3  TRP  16           HE3      TRP  16   6.702  -3.240  -0.075
  140    HZ2  TRP  16           HZ2      TRP  16   6.951  -7.867  -1.916
  141    HZ3  TRP  16           HZ3      TRP  16   5.514  -5.106   1.001
  142    HH2  TRP  16           HH2      TRP  16   5.636  -7.371   0.099
  143    H    TYR  17           HN       TYR  17   9.708   0.644  -1.387
  144    HA   TYR  17           HA       TYR  17  12.373   0.389  -2.410
  145   1HB   TYR  17          HB2       TYR  17  11.531   2.285  -3.330
  146   2HB   TYR  17          HB1       TYR  17  10.392   2.534  -2.013
  147    HD1  TYR  17           HD1      TYR  17  13.910   3.053  -3.057
  148    HD2  TYR  17           HD2      TYR  17  10.849   4.093  -0.290
  149    HE1  TYR  17           HE1      TYR  17  15.306   4.893  -2.212
  150    HE2  TYR  17           HE2      TYR  17  12.237   5.935   0.562
  151    HH   TYR  17           HH       TYR  17  14.459   6.682   0.638
  152    H    ILE  18           HN       ILE  18  10.886   0.919   0.673
  153    HA   ILE  18           HA       ILE  18  13.287   1.851   1.975
  154    HB   ILE  18           HB       ILE  18  10.753   0.850   3.278
  155   1HG1  ILE  18          HG12      ILE  18  11.374   3.743   2.720
  156   2HG1  ILE  18          HG11      ILE  18  10.527   2.753   1.536
  157   1HG2  ILE  18          HG21      ILE  18  12.939   1.189   4.593
  158   2HG2  ILE  18          HG22      ILE  18  11.464   1.924   5.220
  159   3HG2  ILE  18          HG23      ILE  18  12.644   2.912   4.358
  160   1HD1  ILE  18          HD11      ILE  18   8.746   3.630   2.623
  161   2HD1  ILE  18          HD12      ILE  18   9.612   3.788   4.151
  162   3HD1  ILE  18          HD13      ILE  18   9.009   2.212   3.637
  163    H    LYS  19           HN       LYS  19  11.198  -0.945   2.692
  164    HA   LYS  19           HA       LYS  19  13.037  -2.386   4.180
  165   1HB   LYS  19          HB2       LYS  19  10.478  -2.907   2.886
  166   2HB   LYS  19          HB1       LYS  19  11.510  -4.330   2.916
  167   1HG   LYS  19          HG2       LYS  19  11.758  -3.367   5.468
  168   2HG   LYS  19          HG1       LYS  19  10.075  -3.006   5.077
  169   1HD   LYS  19          HD2       LYS  19  11.287  -5.712   4.579
  170   2HD   LYS  19          HD1       LYS  19  10.568  -5.278   6.130
  171   1HE   LYS  19          HE2       LYS  19   8.500  -5.552   5.347
  172   2HE   LYS  19          HE1       LYS  19   8.840  -4.573   3.919
  173   1HZ   LYS  19          HZ1       LYS  19   8.236  -6.840   3.316
  174   2HZ   LYS  19          HZ2       LYS  19   9.517  -7.454   4.237
  175   3HZ   LYS  19          HZ3       LYS  19   9.836  -6.514   2.867
  176   1HN   NH2  20          HN1       LYS  19  13.789  -2.029   0.595
  177   2HN   NH2  20          HN2       LYS  19  12.910  -3.501   0.381
  Start of MODEL   37
    1   1H    LYS   1          HT1       LYS   1  17.911  -0.238  -3.667
    2   2H    LYS   1          HT2       LYS   1  16.309  -0.338  -4.199
    3   3H    LYS   1          HT3       LYS   1  17.128  -1.738  -3.717
    4    HA   LYS   1           HA       LYS   1  17.245  -0.962  -1.458
    5   1HB   LYS   1          HB2       LYS   1  16.983   1.507  -2.633
    6   2HB   LYS   1          HB1       LYS   1  15.399   1.282  -1.903
    7   1HG   LYS   1          HG2       LYS   1  17.447   0.529  -0.044
    8   2HG   LYS   1          HG1       LYS   1  17.755   2.151  -0.666
    9   1HD   LYS   1          HD2       LYS   1  14.958   1.581   0.064
   10   2HD   LYS   1          HD1       LYS   1  16.102   1.602   1.408
   11   1HE   LYS   1          HE2       LYS   1  16.781   3.824  -0.113
   12   2HE   LYS   1          HE1       LYS   1  15.019   3.798  -0.143
   13   1HZ   LYS   1          HZ1       LYS   1  16.209   3.321   2.452
   14   2HZ   LYS   1          HZ2       LYS   1  14.894   4.295   2.025
   15   3HZ   LYS   1          HZ3       LYS   1  16.472   4.871   1.826
   16    H    TRP   2           HN       TRP   2  15.397  -1.061   0.069
   17    HA   TRP   2           HA       TRP   2  13.309  -2.726  -1.051
   18   1HB   TRP   2          HB2       TRP   2  12.626  -2.974   1.364
   19   2HB   TRP   2          HB1       TRP   2  14.260  -3.513   0.994
   20    HD1  TRP   2           HD1      TRP   2  16.269  -2.195   2.101
   21    HE1  TRP   2           HE1      TRP   2  16.388  -0.459   3.997
   22    HE3  TRP   2           HE3      TRP   2  11.310  -0.980   2.408
   23    HZ2  TRP   2           HZ2      TRP   2  14.618   1.203   5.432
   24    HZ3  TRP   2           HZ3      TRP   2  10.608   0.692   4.071
   25    HH2  TRP   2           HH2      TRP   2  12.230   1.759   5.552
   26    H    ALA   3           HN       ALA   3  13.598   0.418  -1.139
   27    HA   ALA   3           HA       ALA   3  11.231   1.391   0.107
   28   1HB   ALA   3          HB1       ALA   3  12.303   3.291  -0.300
   29   2HB   ALA   3          HB2       ALA   3  11.890   3.115  -2.006
   30   3HB   ALA   3          HB3       ALA   3  13.418   2.476  -1.398
   31    H    SER   4           HN       SER   4  11.483  -0.742  -2.328
   32    HA   SER   4           HA       SER   4   9.275   0.347  -3.912
   33   1HB   SER   4          HB2       SER   4  11.006  -2.083  -4.427
   34   2HB   SER   4          HB1       SER   4   9.792  -1.428  -5.526
   35    HG   SER   4           HG       SER   4  12.188  -0.811  -5.696
   36    H    LEU   5           HN       LEU   5   8.882  -0.663  -1.202
   37    HA   LEU   5           HA       LEU   5   6.971  -2.803  -1.847
   38   1HB   LEU   5          HB2       LEU   5   7.426  -3.946   0.190
   39   2HB   LEU   5          HB1       LEU   5   8.956  -3.682  -0.622
   40    HG   LEU   5           HG       LEU   5   9.042  -1.556   0.957
   41   1HD1  LEU   5          HD11      LEU   5   6.689  -2.741   1.840
   42   2HD1  LEU   5          HD12      LEU   5   7.614  -1.482   2.658
   43   3HD1  LEU   5          HD13      LEU   5   7.894  -3.178   3.052
   44   1HD2  LEU   5          HD21      LEU   5  10.524  -2.726   2.303
   45   2HD2  LEU   5          HD22      LEU   5  10.499  -3.687   0.825
   46   3HD2  LEU   5          HD23      LEU   5   9.574  -4.210   2.233
   47    H    TRP   6           HN       TRP   6   7.720   0.080  -0.045
   48    HA   TRP   6           HA       TRP   6   5.298   0.056   1.493
   49   1HB   TRP   6          HB2       TRP   6   6.149   1.862   2.586
   50   2HB   TRP   6          HB1       TRP   6   7.649   1.307   1.856
   51    HD1  TRP   6           HD1      TRP   6   8.750   2.843   0.004
   52    HE1  TRP   6           HE1      TRP   6   8.286   5.251  -0.780
   53    HE3  TRP   6           HE3      TRP   6   4.197   3.555   2.215
   54    HZ2  TRP   6           HZ2      TRP   6   6.256   7.194  -0.499
   55    HZ3  TRP   6           HZ3      TRP   6   3.059   5.713   1.907
   56    HH2  TRP   6           HH2      TRP   6   4.069   7.496   0.579
   57    H    ASN   7           HN       ASN   7   6.282   1.282  -1.608
   58    HA   ASN   7           HA       ASN   7   4.355   3.241  -2.040
   59   1HB   ASN   7          HB2       ASN   7   4.615   2.156  -4.526
   60   2HB   ASN   7          HB1       ASN   7   5.742   3.309  -3.822
   61   1HD2  ASN   7          HD21      ASN   7   5.107  -0.183  -3.682
   62   2HD2  ASN   7          HD22      ASN   7   6.759  -0.659  -3.852
   63    H    TRP   8           HN       TRP   8   4.045  -0.182  -1.905
   64    HA   TRP   8           HA       TRP   8   1.258   0.020  -2.840
   65   1HB   TRP   8          HB2       TRP   8   1.446  -1.952  -3.938
   66   2HB   TRP   8          HB1       TRP   8   3.167  -1.588  -3.902
   67    HD1  TRP   8           HD1      TRP   8   4.697  -3.053  -2.298
   68    HE1  TRP   8           HE1      TRP   8   4.302  -5.301  -1.101
   69    HE3  TRP   8           HE3      TRP   8  -0.374  -3.327  -2.770
   70    HZ2  TRP   8           HZ2      TRP   8   2.112  -6.966  -0.440
   71    HZ3  TRP   8           HZ3      TRP   8  -1.547  -5.266  -1.832
   72    HH2  TRP   8           HH2      TRP   8  -0.331  -7.053  -0.690
   73    H    PHE   9           HN       PHE   9   3.382  -0.932  -0.272
   74    HA   PHE   9           HA       PHE   9   1.572  -2.498   1.227
   75   1HB   PHE   9          HB2       PHE   9   4.141  -2.174   1.512
   76   2HB   PHE   9          HB1       PHE   9   3.690  -0.793   2.507
   77    HD1  PHE   9           HD1      PHE   9   3.538  -4.451   2.199
   78    HD2  PHE   9           HD2      PHE   9   2.760  -1.083   4.679
   79    HE1  PHE   9           HE1      PHE   9   3.220  -5.948   4.125
   80    HE2  PHE   9           HE2      PHE   9   2.442  -2.573   6.610
   81    HZ   PHE   9           HZ       PHE   9   2.671  -5.009   6.335
   82    H    ASN  10           HN       ASN  10   1.791   0.857   0.628
   83    HA   ASN  10           HA       ASN  10   0.190   1.565   2.958
   84   1HB   ASN  10          HB2       ASN  10   1.571   3.348   2.768
   85   2HB   ASN  10          HB1       ASN  10   1.925   3.007   1.077
   86   1HD2  ASN  10          HD21      ASN  10   0.608   3.882  -0.526
   87   2HD2  ASN  10          HD22      ASN  10  -0.459   5.204  -0.212
   88    H    ILE  11           HN       ILE  11  -0.158   0.795  -0.331
   89    HA   ILE  11           HA       ILE  11  -2.567   2.227  -0.852
   90    HB   ILE  11           HB       ILE  11  -1.633  -0.266  -2.269
   91   1HG1  ILE  11          HG12      ILE  11  -0.881   2.625  -2.760
   92   2HG1  ILE  11          HG11      ILE  11   0.202   1.337  -2.235
   93   1HG2  ILE  11          HG21      ILE  11  -3.059   1.974  -3.601
   94   2HG2  ILE  11          HG22      ILE  11  -3.989   0.905  -2.550
   95   3HG2  ILE  11          HG23      ILE  11  -3.113   0.241  -3.929
   96   1HD1  ILE  11          HD11      ILE  11   0.699   1.023  -4.367
   97   2HD1  ILE  11          HD12      ILE  11  -0.595   2.100  -4.892
   98   3HD1  ILE  11          HD13      ILE  11  -0.934   0.395  -4.591
   99    H    THR  12           HN       THR  12  -1.809  -0.926   0.475
  100    HA   THR  12           HA       THR  12  -4.386  -2.067   0.258
  101    HB   THR  12           HB       THR  12  -3.453  -3.353   2.413
  102    HG1  THR  12           HG1      THR  12  -1.404  -1.732   1.611
  103   1HG2  THR  12          HG21      THR  12  -1.882  -4.191   0.131
  104   2HG2  THR  12          HG22      THR  12  -3.541  -3.810  -0.331
  105   3HG2  THR  12          HG23      THR  12  -3.228  -5.005   0.928
  106    H    ASN  13           HN       ASN  13  -3.511   0.625   1.914
  107    HA   ASN  13           HA       ASN  13  -5.168   0.147   4.261
  108   1HB   ASN  13          HB2       ASN  13  -3.225   2.253   3.425
  109   2HB   ASN  13          HB1       ASN  13  -4.474   2.693   4.586
  110   1HD2  ASN  13          HD21      ASN  13  -1.710   0.658   3.980
  111   2HD2  ASN  13          HD22      ASN  13  -1.402   0.248   5.630
  112    H    TRP  14           HN       TRP  14  -5.090   2.304   1.430
  113    HA   TRP  14           HA       TRP  14  -7.782   3.229   2.088
  114   1HB   TRP  14          HB2       TRP  14  -7.331   4.682  -0.047
  115   2HB   TRP  14          HB1       TRP  14  -6.585   5.106   1.487
  116    HD1  TRP  14           HD1      TRP  14  -3.929   4.185   1.742
  117    HE1  TRP  14           HE1      TRP  14  -2.090   4.184  -0.047
  118    HE3  TRP  14           HE3      TRP  14  -6.860   4.526  -2.428
  119    HZ2  TRP  14           HZ2      TRP  14  -1.899   4.320  -2.862
  120    HZ3  TRP  14           HZ3      TRP  14  -5.771   4.589  -4.633
  121    HH2  TRP  14           HH2      TRP  14  -3.341   4.488  -4.844
  122    H    LEU  15           HN       LEU  15  -6.031   1.556  -0.497
  123    HA   LEU  15           HA       LEU  15  -8.131   1.303  -2.313
  124   1HB   LEU  15          HB2       LEU  15  -6.723  -0.009  -3.490
  125   2HB   LEU  15          HB1       LEU  15  -5.546   0.530  -2.311
  126    HG   LEU  15           HG       LEU  15  -6.353  -1.612  -1.005
  127   1HD1  LEU  15          HD11      LEU  15  -6.675  -2.646  -3.784
  128   2HD1  LEU  15          HD12      LEU  15  -8.064  -1.970  -2.931
  129   3HD1  LEU  15          HD13      LEU  15  -7.197  -3.351  -2.255
  130   1HD2  LEU  15          HD21      LEU  15  -4.510  -2.831  -1.962
  131   2HD2  LEU  15          HD22      LEU  15  -4.075  -1.127  -1.836
  132   3HD2  LEU  15          HD23      LEU  15  -4.532  -1.806  -3.397
  133    H    TRP  16           HN       TRP  16  -7.292  -0.592   0.526
  134    HA   TRP  16           HA       TRP  16  -9.148  -2.684   0.172
  135   1HB   TRP  16          HB2       TRP  16  -7.237  -1.919   2.106
  136   2HB   TRP  16          HB1       TRP  16  -8.770  -2.045   2.960
  137    HD1  TRP  16           HD1      TRP  16  -9.164  -4.362   3.926
  138    HE1  TRP  16           HE1      TRP  16  -8.477  -6.769   3.323
  139    HE3  TRP  16           HE3      TRP  16  -6.519  -3.405  -0.342
  140    HZ2  TRP  16           HZ2      TRP  16  -7.005  -8.085   1.306
  141    HZ3  TRP  16           HZ3      TRP  16  -5.499  -5.293  -1.547
  142    HH2  TRP  16           HH2      TRP  16  -5.738  -7.584  -0.738
  143    H    TYR  17           HN       TYR  17  -9.378   0.553   1.395
  144    HA   TYR  17           HA       TYR  17 -11.988   0.256   2.555
  145   1HB   TYR  17          HB2       TYR  17 -11.057   2.035   3.609
  146   2HB   TYR  17          HB1       TYR  17  -9.964   2.375   2.273
  147    HD1  TYR  17           HD1      TYR  17 -13.403   2.908   3.532
  148    HD2  TYR  17           HD2      TYR  17 -10.448   4.087   0.708
  149    HE1  TYR  17           HE1      TYR  17 -14.771   4.859   2.925
  150    HE2  TYR  17           HE2      TYR  17 -11.806   6.043   0.094
  151    HH   TYR  17           HH       TYR  17 -13.736   7.107   0.377
  152    H    ILE  18           HN       ILE  18 -10.647   1.144  -0.528
  153    HA   ILE  18           HA       ILE  18 -12.982   2.348  -1.620
  154    HB   ILE  18           HB       ILE  18 -10.665   1.063  -3.076
  155   1HG1  ILE  18          HG12      ILE  18 -11.067   3.987  -2.422
  156   2HG1  ILE  18          HG11      ILE  18 -10.090   2.906  -1.435
  157   1HG2  ILE  18          HG21      ILE  18 -12.040   3.312  -4.330
  158   2HG2  ILE  18          HG22      ILE  18 -13.067   1.895  -4.110
  159   3HG2  ILE  18          HG23      ILE  18 -11.555   1.758  -5.008
  160   1HD1  ILE  18          HD11      ILE  18  -8.586   2.523  -3.277
  161   2HD1  ILE  18          HD12      ILE  18  -8.757   4.255  -2.991
  162   3HD1  ILE  18          HD13      ILE  18  -9.599   3.497  -4.342
  163    H    LYS  19           HN       LYS  19 -11.501  -0.861  -2.080
  164    HA   LYS  19           HA       LYS  19 -13.697  -1.852  -3.611
  165   1HB   LYS  19          HB2       LYS  19 -12.549  -3.943  -3.616
  166   2HB   LYS  19          HB1       LYS  19 -11.331  -2.685  -3.764
  167   1HG   LYS  19          HG2       LYS  19 -10.259  -3.575  -2.048
  168   2HG   LYS  19          HG1       LYS  19 -11.631  -3.171  -1.013
  169   1HD   LYS  19          HD2       LYS  19 -12.331  -5.303  -0.918
  170   2HD   LYS  19          HD1       LYS  19 -12.037  -5.572  -2.637
  171   1HE   LYS  19          HE2       LYS  19  -9.607  -5.749  -2.124
  172   2HE   LYS  19          HE1       LYS  19 -10.008  -5.653  -0.408
  173   1HZ   LYS  19          HZ1       LYS  19 -10.849  -7.750  -0.393
  174   2HZ   LYS  19          HZ2       LYS  19  -9.768  -7.956  -1.678
  175   3HZ   LYS  19          HZ3       LYS  19 -11.408  -7.676  -1.989
  176   1HN   NH2  20          HN1       LYS  19 -13.309  -2.786   0.205
  177   2HN   NH2  20          HN2       LYS  19 -14.229  -1.357  -0.107
  Start of MODEL   38
    1   1H    LYS   1          HT1       LYS   1 -17.062   1.143  -4.248
    2   2H    LYS   1          HT2       LYS   1 -18.407   0.162  -3.947
    3   3H    LYS   1          HT3       LYS   1 -16.965  -0.528  -4.502
    4    HA   LYS   1           HA       LYS   1 -17.696   0.377  -1.829
    5   1HB   LYS   1          HB2       LYS   1 -17.547  -2.014  -2.614
    6   2HB   LYS   1          HB1       LYS   1 -15.815  -1.779  -2.805
    7   1HG   LYS   1          HG2       LYS   1 -15.865  -2.714  -0.731
    8   2HG   LYS   1          HG1       LYS   1 -15.978  -1.008  -0.294
    9   1HD   LYS   1          HD2       LYS   1 -18.017  -1.275   0.580
   10   2HD   LYS   1          HD1       LYS   1 -18.581  -2.180  -0.826
   11   1HE   LYS   1          HE2       LYS   1 -18.551  -3.368   1.450
   12   2HE   LYS   1          HE1       LYS   1 -17.888  -4.221   0.057
   13   1HZ   LYS   1          HZ1       LYS   1 -16.067  -2.610   1.691
   14   2HZ   LYS   1          HZ2       LYS   1 -15.770  -4.039   0.837
   15   3HZ   LYS   1          HZ3       LYS   1 -16.593  -4.093   2.314
   16    H    TRP   2           HN       TRP   2 -15.969   0.727  -0.244
   17    HA   TRP   2           HA       TRP   2 -13.959   2.521  -1.314
   18   1HB   TRP   2          HB2       TRP   2 -13.492   3.020   1.079
   19   2HB   TRP   2          HB1       TRP   2 -15.177   3.269   0.636
   20    HD1  TRP   2           HD1      TRP   2 -16.990   1.653   1.732
   21    HE1  TRP   2           HE1      TRP   2 -16.896   0.068   3.758
   22    HE3  TRP   2           HE3      TRP   2 -11.920   1.417   2.346
   23    HZ2  TRP   2           HZ2      TRP   2 -14.931  -1.124   5.399
   24    HZ3  TRP   2           HZ3      TRP   2 -11.015   0.034   4.167
   25    HH2  TRP   2           HH2      TRP   2 -12.490  -1.210   5.661
   26    H    ALA   3           HN       ALA   3 -13.941  -0.591  -1.372
   27    HA   ALA   3           HA       ALA   3 -11.552  -1.253   0.089
   28   1HB   ALA   3          HB1       ALA   3 -13.652  -2.703  -0.976
   29   2HB   ALA   3          HB2       ALA   3 -12.187  -3.362  -0.248
   30   3HB   ALA   3          HB3       ALA   3 -12.279  -3.135  -1.995
   31    H    SER   4           HN       SER   4 -11.341   0.915  -1.875
   32    HA   SER   4           HA       SER   4  -9.293  -0.277  -3.626
   33   1HB   SER   4          HB2       SER   4 -10.464   2.290  -4.489
   34   2HB   SER   4          HB1       SER   4 -10.050   0.862  -5.436
   35    HG   SER   4           HG       SER   4 -12.297   1.014  -3.714
   36    H    LEU   5           HN       LEU   5  -8.794   0.657  -0.999
   37    HA   LEU   5           HA       LEU   5  -6.980   2.876  -1.626
   38   1HB   LEU   5          HB2       LEU   5  -7.476   3.997   0.444
   39   2HB   LEU   5          HB1       LEU   5  -8.960   3.780  -0.463
   40    HG   LEU   5           HG       LEU   5  -9.076   1.586   1.090
   41   1HD1  LEU   5          HD11      LEU   5  -7.607   3.656   2.717
   42   2HD1  LEU   5          HD12      LEU   5  -7.023   2.050   2.281
   43   3HD1  LEU   5          HD13      LEU   5  -8.398   2.222   3.371
   44   1HD2  LEU   5          HD21      LEU   5 -10.818   3.277   0.820
   45   2HD2  LEU   5          HD22      LEU   5  -9.939   4.359   1.901
   46   3HD2  LEU   5          HD23      LEU   5 -10.602   2.845   2.516
   47    H    TRP   6           HN       TRP   6  -7.679  -0.034   0.104
   48    HA   TRP   6           HA       TRP   6  -5.325   0.051   1.755
   49   1HB   TRP   6          HB2       TRP   6  -6.022  -2.030   2.618
   50   2HB   TRP   6          HB1       TRP   6  -7.518  -1.163   2.287
   51    HD1  TRP   6           HD1      TRP   6  -9.136  -2.168   0.458
   52    HE1  TRP   6           HE1      TRP   6  -9.182  -4.408  -0.811
   53    HE3  TRP   6           HE3      TRP   6  -4.434  -3.835   1.579
   54    HZ2  TRP   6           HZ2      TRP   6  -7.453  -6.591  -1.276
   55    HZ3  TRP   6           HZ3      TRP   6  -3.705  -6.006   0.681
   56    HH2  TRP   6           HH2      TRP   6  -5.186  -7.357  -0.715
   57    H    ASN   7           HN       ASN   7  -6.189  -1.256  -1.363
   58    HA   ASN   7           HA       ASN   7  -4.249  -3.170  -1.746
   59   1HB   ASN   7          HB2       ASN   7  -4.418  -1.822  -4.204
   60   2HB   ASN   7          HB1       ASN   7  -5.328  -3.243  -3.701
   61   1HD2  ASN   7          HD21      ASN   7  -5.340   0.286  -3.503
   62   2HD2  ASN   7          HD22      ASN   7  -7.057   0.458  -3.558
   63    H    TRP   8           HN       TRP   8  -3.955   0.309  -2.037
   64    HA   TRP   8           HA       TRP   8  -1.125   0.050  -2.731
   65   1HB   TRP   8          HB2       TRP   8  -1.281   2.063  -3.744
   66   2HB   TRP   8          HB1       TRP   8  -3.012   1.753  -3.688
   67    HD1  TRP   8           HD1      TRP   8  -4.458   3.180  -1.968
   68    HE1  TRP   8           HE1      TRP   8  -3.962   5.358  -0.681
   69    HE3  TRP   8           HE3      TRP   8   0.602   3.328  -2.568
   70    HZ2  TRP   8           HZ2      TRP   8  -1.709   6.931  -0.014
   71    HZ3  TRP   8           HZ3      TRP   8   1.860   5.191  -1.580
   72    HH2  TRP   8           HH2      TRP   8   0.730   6.959  -0.327
   73    H    PHE   9           HN       PHE   9  -3.213   0.916  -0.112
   74    HA   PHE   9           HA       PHE   9  -1.463   2.436   1.457
   75   1HB   PHE   9          HB2       PHE   9  -4.010   1.840   1.733
   76   2HB   PHE   9          HB1       PHE   9  -3.388   0.524   2.721
   77    HD1  PHE   9           HD1      PHE   9  -3.804   4.141   2.437
   78    HD2  PHE   9           HD2      PHE   9  -2.323   0.961   4.846
   79    HE1  PHE   9           HE1      PHE   9  -3.648   5.673   4.354
   80    HE2  PHE   9           HE2      PHE   9  -2.161   2.489   6.768
   81    HZ   PHE   9           HZ       PHE   9  -2.825   4.847   6.524
   82    H    ASN  10           HN       ASN  10  -1.638  -0.981   0.858
   83    HA   ASN  10           HA       ASN  10   0.188  -1.593   3.037
   84   1HB   ASN  10          HB2       ASN  10  -0.633  -3.684   2.922
   85   2HB   ASN  10          HB1       ASN  10  -1.836  -3.032   1.815
   86   1HD2  ASN  10          HD21      ASN  10  -1.089  -2.927  -0.509
   87   2HD2  ASN  10          HD22      ASN  10  -0.219  -4.296  -1.103
   88    H    ILE  11           HN       ILE  11   0.338  -0.646  -0.174
   89    HA   ILE  11           HA       ILE  11   2.680  -2.069  -0.978
   90    HB   ILE  11           HB       ILE  11   1.509   0.481  -2.100
   91   1HG1  ILE  11          HG12      ILE  11   1.153  -2.424  -2.864
   92   2HG1  ILE  11          HG11      ILE  11  -0.085  -1.332  -2.249
   93   1HG2  ILE  11          HG21      ILE  11   3.999  -0.717  -2.592
   94   2HG2  ILE  11          HG22      ILE  11   3.225   0.576  -3.508
   95   3HG2  ILE  11          HG23      ILE  11   2.983  -1.106  -3.981
   96   1HD1  ILE  11          HD11      ILE  11  -0.415  -1.587  -4.588
   97   2HD1  ILE  11          HD12      ILE  11   1.278  -1.228  -4.928
   98   3HD1  ILE  11          HD13      ILE  11   0.214   0.037  -4.312
   99    H    THR  12           HN       THR  12   2.050   1.023   0.569
  100    HA   THR  12           HA       THR  12   4.677   2.074   0.316
  101    HB   THR  12           HB       THR  12   3.778   3.317   2.541
  102    HG1  THR  12           HG1      THR  12   1.408   2.644   1.113
  103   1HG2  THR  12          HG21      THR  12   3.644   3.791  -0.329
  104   2HG2  THR  12          HG22      THR  12   4.077   4.892   0.979
  105   3HG2  THR  12          HG23      THR  12   2.381   4.643   0.561
  106    H    ASN  13           HN       ASN  13   3.708  -0.622   1.882
  107    HA   ASN  13           HA       ASN  13   5.347  -0.290   4.261
  108   1HB   ASN  13          HB2       ASN  13   3.548  -2.495   3.270
  109   2HB   ASN  13          HB1       ASN  13   4.607  -2.712   4.661
  110   1HD2  ASN  13          HD21      ASN  13   1.570  -2.344   4.063
  111   2HD2  ASN  13          HD22      ASN  13   1.069  -1.279   5.328
  112    H    TRP  14           HN       TRP  14   5.240  -2.480   1.436
  113    HA   TRP  14           HA       TRP  14   7.912  -3.430   2.066
  114   1HB   TRP  14          HB2       TRP  14   7.520  -4.727  -0.163
  115   2HB   TRP  14          HB1       TRP  14   6.666  -5.218   1.295
  116    HD1  TRP  14           HD1      TRP  14   4.029  -4.495   1.436
  117    HE1  TRP  14           HE1      TRP  14   2.306  -4.187  -0.439
  118    HE3  TRP  14           HE3      TRP  14   7.222  -3.991  -2.518
  119    HZ2  TRP  14           HZ2      TRP  14   2.296  -3.783  -3.237
  120    HZ3  TRP  14           HZ3      TRP  14   6.277  -3.647  -4.762
  121    HH2  TRP  14           HH2      TRP  14   3.863  -3.545  -5.113
  122    H    LEU  15           HN       LEU  15   6.302  -1.499  -0.427
  123    HA   LEU  15           HA       LEU  15   8.472  -1.214  -2.161
  124   1HB   LEU  15          HB2       LEU  15   7.147   0.211  -3.292
  125   2HB   LEU  15          HB1       LEU  15   5.913  -0.315  -2.167
  126    HG   LEU  15           HG       LEU  15   6.768   1.695  -0.729
  127   1HD1  LEU  15          HD11      LEU  15   7.355   2.859  -3.415
  128   2HD1  LEU  15          HD12      LEU  15   8.629   2.034  -2.515
  129   3HD1  LEU  15          HD13      LEU  15   7.818   3.436  -1.814
  130   1HD2  LEU  15          HD21      LEU  15   5.160   2.240  -3.214
  131   2HD2  LEU  15          HD22      LEU  15   5.060   3.068  -1.660
  132   3HD2  LEU  15          HD23      LEU  15   4.527   1.392  -1.803
  133    H    TRP  16           HN       TRP  16   7.607   0.522   0.780
  134    HA   TRP  16           HA       TRP  16   9.579   2.532   0.625
  135   1HB   TRP  16          HB2       TRP  16   7.567   1.754   2.449
  136   2HB   TRP  16          HB1       TRP  16   9.076   1.752   3.354
  137    HD1  TRP  16           HD1      TRP  16   9.552   3.991   4.464
  138    HE1  TRP  16           HE1      TRP  16   9.002   6.458   3.982
  139    HE3  TRP  16           HE3      TRP  16   7.012   3.411   0.067
  140    HZ2  TRP  16           HZ2      TRP  16   7.667   7.959   2.002
  141    HZ3  TRP  16           HZ3      TRP  16   6.129   5.414  -1.057
  142    HH2  TRP  16           HH2      TRP  16   6.450   7.641  -0.108
  143    H    TYR  17           HN       TYR  17   9.599  -0.785   1.616
  144    HA   TYR  17           HA       TYR  17  12.152  -0.731   2.912
  145   1HB   TYR  17          HB2       TYR  17  11.069  -2.562   3.710
  146   2HB   TYR  17          HB1       TYR  17  10.072  -2.721   2.270
  147    HD1  TYR  17           HD1      TYR  17  10.648  -4.252   0.540
  148    HD2  TYR  17           HD2      TYR  17  13.343  -3.571   3.761
  149    HE1  TYR  17           HE1      TYR  17  11.967  -6.207  -0.157
  150    HE2  TYR  17           HE2      TYR  17  14.671  -5.522   3.071
  151    HH   TYR  17           HH       TYR  17  13.846  -7.851   1.515
  152    H    ILE  18           HN       ILE  18  11.015  -0.894  -0.306
  153    HA   ILE  18           HA       ILE  18  13.540  -1.940  -1.349
  154    HB   ILE  18           HB       ILE  18  11.044  -1.153  -2.863
  155   1HG1  ILE  18          HG12      ILE  18  11.824  -4.003  -2.515
  156   2HG1  ILE  18          HG11      ILE  18  11.129  -3.193  -1.114
  157   1HG2  ILE  18          HG21      ILE  18  12.118  -2.707  -4.588
  158   2HG2  ILE  18          HG22      ILE  18  13.600  -2.520  -3.650
  159   3HG2  ILE  18          HG23      ILE  18  12.832  -1.108  -4.375
  160   1HD1  ILE  18          HD11      ILE  18   9.132  -3.656  -1.946
  161   2HD1  ILE  18          HD12      ILE  18   9.837  -4.230  -3.457
  162   3HD1  ILE  18          HD13      ILE  18   9.470  -2.518  -3.250
  163    H    LYS  19           HN       LYS  19  11.401   0.622  -2.552
  164    HA   LYS  19           HA       LYS  19  13.342   2.139  -3.805
  165   1HB   LYS  19          HB2       LYS  19  10.916   2.413  -4.142
  166   2HB   LYS  19          HB1       LYS  19  10.776   3.117  -2.538
  167   1HG   LYS  19          HG2       LYS  19  11.781   5.088  -3.166
  168   2HG   LYS  19          HG1       LYS  19  12.629   4.345  -4.524
  169   1HD   LYS  19          HD2       LYS  19  11.017   5.135  -5.845
  170   2HD   LYS  19          HD1       LYS  19   9.923   3.981  -5.081
  171   1HE   LYS  19          HE2       LYS  19  10.434   6.549  -3.679
  172   2HE   LYS  19          HE1       LYS  19   9.425   6.590  -5.125
  173   1HZ   LYS  19          HZ1       LYS  19   8.926   4.738  -2.858
  174   2HZ   LYS  19          HZ2       LYS  19   7.892   5.088  -4.149
  175   3HZ   LYS  19          HZ3       LYS  19   8.204   6.265  -2.975
  176   1HN   NH2  20          HN1       LYS  19  11.938   3.007  -0.539
  177   2HN   NH2  20          HN2       LYS  19  13.045   4.327  -0.399
  Start of MODEL   39
    1   1H    LYS   1          HT1       LYS   1 -15.545  -0.376  -5.315
    2   2H    LYS   1          HT2       LYS   1 -16.266   1.147  -5.465
    3   3H    LYS   1          HT3       LYS   1 -17.229  -0.228  -5.259
    4    HA   LYS   1           HA       LYS   1 -17.122   0.977  -3.202
    5   1HB   LYS   1          HB2       LYS   1 -16.058  -1.728  -3.594
    6   2HB   LYS   1          HB1       LYS   1 -15.607  -1.014  -2.053
    7   1HG   LYS   1          HG2       LYS   1 -18.243  -0.421  -2.124
    8   2HG   LYS   1          HG1       LYS   1 -18.218  -1.944  -3.015
    9   1HD   LYS   1          HD2       LYS   1 -17.156  -3.071  -1.187
   10   2HD   LYS   1          HD1       LYS   1 -16.922  -1.550  -0.322
   11   1HE   LYS   1          HE2       LYS   1 -18.798  -2.223   0.749
   12   2HE   LYS   1          HE1       LYS   1 -19.577  -1.464  -0.640
   13   1HZ   LYS   1          HZ1       LYS   1 -20.536  -3.603  -0.318
   14   2HZ   LYS   1          HZ2       LYS   1 -19.021  -4.354  -0.259
   15   3HZ   LYS   1          HZ3       LYS   1 -19.578  -3.688  -1.710
   16    H    TRP   2           HN       TRP   2 -15.477   0.929  -1.172
   17    HA   TRP   2           HA       TRP   2 -13.243   2.604  -2.038
   18   1HB   TRP   2          HB2       TRP   2 -13.117   3.263   0.356
   19   2HB   TRP   2          HB1       TRP   2 -14.689   3.590  -0.364
   20    HD1  TRP   2           HD1      TRP   2 -16.755   2.072   0.456
   21    HE1  TRP   2           HE1      TRP   2 -17.106   0.691   2.600
   22    HE3  TRP   2           HE3      TRP   2 -11.909   1.826   2.069
   23    HZ2  TRP   2           HZ2      TRP   2 -15.536  -0.362   4.696
   24    HZ3  TRP   2           HZ3      TRP   2 -11.419   0.614   4.152
   25    HH2  TRP   2           HH2      TRP   2 -13.197  -0.457   5.438
   26    H    ALA   3           HN       ALA   3 -13.492  -0.495  -1.888
   27    HA   ALA   3           HA       ALA   3 -11.451  -1.236  -0.002
   28   1HB   ALA   3          HB1       ALA   3 -11.805  -3.450  -0.688
   29   2HB   ALA   3          HB2       ALA   3 -12.443  -2.954  -2.255
   30   3HB   ALA   3          HB3       ALA   3 -13.392  -2.688  -0.793
   31    H    SER   4           HN       SER   4 -10.931   0.682  -2.333
   32    HA   SER   4           HA       SER   4  -8.630  -0.751  -3.478
   33   1HB   SER   4          HB2       SER   4 -10.680   0.560  -4.815
   34   2HB   SER   4          HB1       SER   4  -9.348   1.715  -4.849
   35    HG   SER   4           HG       SER   4  -8.577   0.534  -6.393
   36    H    LEU   5           HN       LEU   5  -8.913   0.816  -0.916
   37    HA   LEU   5           HA       LEU   5  -6.761   2.758  -1.444
   38   1HB   LEU   5          HB2       LEU   5  -7.547   4.036   0.493
   39   2HB   LEU   5          HB1       LEU   5  -8.768   3.920  -0.759
   40    HG   LEU   5           HG       LEU   5  -9.585   1.872   0.722
   41   1HD1  LEU   5          HD11      LEU   5  -8.134   1.740   2.484
   42   2HD1  LEU   5          HD12      LEU   5  -9.339   2.836   3.161
   43   3HD1  LEU   5          HD13      LEU   5  -7.830   3.477   2.509
   44   1HD2  LEU   5          HD21      LEU   5 -10.100   4.802   1.149
   45   2HD2  LEU   5          HD22      LEU   5 -11.022   3.545   1.974
   46   3HD2  LEU   5          HD23      LEU   5 -11.049   3.646   0.214
   47    H    TRP   6           HN       TRP   6  -7.652  -0.093   0.148
   48    HA   TRP   6           HA       TRP   6  -5.654   0.200   2.239
   49   1HB   TRP   6          HB2       TRP   6  -6.499  -1.806   3.187
   50   2HB   TRP   6          HB1       TRP   6  -7.902  -0.899   2.641
   51    HD1  TRP   6           HD1      TRP   6  -9.469  -2.043   0.893
   52    HE1  TRP   6           HE1      TRP   6  -9.510  -4.364  -0.219
   53    HE3  TRP   6           HE3      TRP   6  -4.830  -3.689   2.275
   54    HZ2  TRP   6           HZ2      TRP   6  -7.801  -6.598  -0.475
   55    HZ3  TRP   6           HZ3      TRP   6  -4.107  -5.926   1.554
   56    HH2  TRP   6           HH2      TRP   6  -5.565  -7.352   0.209
   57    H    ASN   7           HN       ASN   7  -6.063  -1.351  -0.851
   58    HA   ASN   7           HA       ASN   7  -4.063  -3.285  -0.722
   59   1HB   ASN   7          HB2       ASN   7  -4.651  -1.621  -3.168
   60   2HB   ASN   7          HB1       ASN   7  -4.045  -3.273  -3.112
   61   1HD2  ASN   7          HD21      ASN   7  -6.700  -1.423  -3.631
   62   2HD2  ASN   7          HD22      ASN   7  -7.933  -2.600  -3.346
   63    H    TRP   8           HN       TRP   8  -3.835  -0.013  -2.009
   64    HA   TRP   8           HA       TRP   8  -1.006  -0.023  -2.250
   65   1HB   TRP   8          HB2       TRP   8  -1.279   1.994  -3.247
   66   2HB   TRP   8          HB1       TRP   8  -2.972   1.520  -3.273
   67    HD1  TRP   8           HD1      TRP   8  -4.611   2.740  -1.519
   68    HE1  TRP   8           HE1      TRP   8  -4.380   4.972  -0.248
   69    HE3  TRP   8           HE3      TRP   8   0.385   3.488  -2.135
   70    HZ2  TRP   8           HZ2      TRP   8  -2.328   6.810   0.404
   71    HZ3  TRP   8           HZ3      TRP   8   1.415   5.487  -1.166
   72    HH2  TRP   8           HH2      TRP   8   0.090   7.123   0.079
   73    H    PHE   9           HN       PHE   9  -3.203   0.731   0.323
   74    HA   PHE   9           HA       PHE   9  -1.531   2.326   1.925
   75   1HB   PHE   9          HB2       PHE   9  -4.089   1.631   2.123
   76   2HB   PHE   9          HB1       PHE   9  -3.427   0.409   3.202
   77    HD1  PHE   9           HD1      PHE   9  -4.325   3.868   2.801
   78    HD2  PHE   9           HD2      PHE   9  -2.131   1.132   5.212
   79    HE1  PHE   9           HE1      PHE   9  -4.289   5.515   4.629
   80    HE2  PHE   9           HE2      PHE   9  -2.088   2.774   7.044
   81    HZ   PHE   9           HZ       PHE   9  -3.169   4.968   6.755
   82    H    ASN  10           HN       ASN  10  -1.533  -1.039   1.227
   83    HA   ASN  10           HA       ASN  10   0.258  -1.613   3.467
   84   1HB   ASN  10          HB2       ASN  10  -0.882  -3.541   3.531
   85   2HB   ASN  10          HB1       ASN  10  -1.727  -3.134   2.041
   86   1HD2  ASN  10          HD21      ASN  10  -0.789  -3.762   0.044
   87   2HD2  ASN  10          HD22      ASN  10   0.310  -5.093  -0.034
   88    H    ILE  11           HN       ILE  11   0.250  -0.950   0.149
   89    HA   ILE  11           HA       ILE  11   2.623  -2.360  -0.580
   90    HB   ILE  11           HB       ILE  11   1.392   0.033  -1.953
   91   1HG1  ILE  11          HG12      ILE  11   0.927  -2.931  -2.362
   92   2HG1  ILE  11          HG11      ILE  11  -0.241  -1.768  -1.742
   93   1HG2  ILE  11          HG21      ILE  11   2.823  -0.282  -3.678
   94   2HG2  ILE  11          HG22      ILE  11   2.884  -2.030  -3.451
   95   3HG2  ILE  11          HG23      ILE  11   3.837  -0.972  -2.410
   96   1HD1  ILE  11          HD11      ILE  11  -0.448  -0.718  -3.845
   97   2HD1  ILE  11          HD12      ILE  11  -0.525  -2.455  -4.141
   98   3HD1  ILE  11          HD13      ILE  11   0.958  -1.566  -4.487
   99    H    THR  12           HN       THR  12   1.920   0.804   0.736
  100    HA   THR  12           HA       THR  12   4.461   1.974   0.233
  101    HB   THR  12           HB       THR  12   3.615   3.322   2.428
  102    HG1  THR  12           HG1      THR  12   1.131   3.165   1.460
  103   1HG2  THR  12          HG21      THR  12   2.049   4.378   0.369
  104   2HG2  THR  12          HG22      THR  12   3.423   3.622  -0.434
  105   3HG2  THR  12          HG23      THR  12   3.692   4.848   0.803
  106    H    ASN  13           HN       ASN  13   3.719  -0.628   2.087
  107    HA   ASN  13           HA       ASN  13   5.491  -0.015   4.311
  108   1HB   ASN  13          HB2       ASN  13   3.509  -2.123   3.686
  109   2HB   ASN  13          HB1       ASN  13   4.886  -2.628   4.661
  110   1HD2  ASN  13          HD21      ASN  13   1.963  -0.847   4.562
  111   2HD2  ASN  13          HD22      ASN  13   1.941  -0.361   6.220
  112    H    TRP  14           HN       TRP  14   5.365  -2.268   1.558
  113    HA   TRP  14           HA       TRP  14   8.112  -3.086   2.127
  114   1HB   TRP  14          HB2       TRP  14   7.621  -4.607   0.049
  115   2HB   TRP  14          HB1       TRP  14   6.957  -5.017   1.624
  116    HD1  TRP  14           HD1      TRP  14   4.291  -4.237   1.983
  117    HE1  TRP  14           HE1      TRP  14   2.372  -4.313   0.280
  118    HE3  TRP  14           HE3      TRP  14   7.036  -4.436  -2.321
  119    HZ2  TRP  14           HZ2      TRP  14   2.058  -4.448  -2.525
  120    HZ3  TRP  14           HZ3      TRP  14   5.851  -4.539  -4.473
  121    HH2  TRP  14           HH2      TRP  14   3.412  -4.545  -4.572
  122    H    LEU  15           HN       LEU  15   6.200  -1.527  -0.412
  123    HA   LEU  15           HA       LEU  15   8.222  -1.280  -2.322
  124   1HB   LEU  15          HB2       LEU  15   6.725  -0.069  -3.491
  125   2HB   LEU  15          HB1       LEU  15   5.612  -0.592  -2.246
  126    HG   LEU  15           HG       LEU  15   6.362   1.618  -1.054
  127   1HD1  LEU  15          HD11      LEU  15   6.662   2.548  -3.877
  128   2HD1  LEU  15          HD12      LEU  15   8.064   1.956  -2.983
  129   3HD1  LEU  15          HD13      LEU  15   7.149   3.337  -2.376
  130   1HD2  LEU  15          HD21      LEU  15   4.571   1.850  -3.452
  131   2HD2  LEU  15          HD22      LEU  15   4.447   2.683  -1.904
  132   3HD2  LEU  15          HD23      LEU  15   4.104   0.956  -2.005
  133    H    TRP  16           HN       TRP  16   7.457   0.650   0.511
  134    HA   TRP  16           HA       TRP  16   9.222   2.795   0.007
  135   1HB   TRP  16          HB2       TRP  16   7.447   2.015   2.070
  136   2HB   TRP  16          HB1       TRP  16   9.021   2.241   2.824
  137    HD1  TRP  16           HD1      TRP  16   9.316   4.600   3.717
  138    HE1  TRP  16           HE1      TRP  16   8.505   6.953   3.061
  139    HE3  TRP  16           HE3      TRP  16   6.582   3.392  -0.431
  140    HZ2  TRP  16           HZ2      TRP  16   6.917   8.140   1.054
  141    HZ3  TRP  16           HZ3      TRP  16   5.446   5.195  -1.661
  142    HH2  TRP  16           HH2      TRP  16   5.610   7.520  -0.931
  143    H    TYR  17           HN       TYR  17   9.608  -0.391   1.346
  144    HA   TYR  17           HA       TYR  17  12.236  -0.003   2.391
  145   1HB   TYR  17          HB2       TYR  17  11.398  -1.835   3.435
  146   2HB   TYR  17          HB1       TYR  17  10.314  -2.219   2.104
  147    HD1  TYR  17           HD1      TYR  17  10.912  -3.838   0.458
  148    HD2  TYR  17           HD2      TYR  17  13.754  -2.629   3.385
  149    HE1  TYR  17           HE1      TYR  17  12.369  -5.712  -0.190
  150    HE2  TYR  17           HE2      TYR  17  15.219  -4.497   2.744
  151    HH   TYR  17           HH       TYR  17  15.549  -6.175   1.316
  152    H    ILE  18           HN       ILE  18  10.870  -1.023  -0.662
  153    HA   ILE  18           HA       ILE  18  13.264  -2.026  -1.817
  154    HB   ILE  18           HB       ILE  18  10.774  -0.961  -3.163
  155   1HG1  ILE  18          HG12      ILE  18  11.452  -3.863  -2.924
  156   2HG1  ILE  18          HG11      ILE  18  10.776  -3.039  -1.523
  157   1HG2  ILE  18          HG21      ILE  18  11.533  -1.736  -5.179
  158   2HG2  ILE  18          HG22      ILE  18  12.607  -2.927  -4.444
  159   3HG2  ILE  18          HG23      ILE  18  13.055  -1.221  -4.452
  160   1HD1  ILE  18          HD11      ILE  18   8.748  -3.278  -2.358
  161   2HD1  ILE  18          HD12      ILE  18   9.426  -4.113  -3.755
  162   3HD1  ILE  18          HD13      ILE  18   9.212  -2.363  -3.792
  163    H    LYS  19           HN       LYS  19  11.803   1.148  -1.591
  164    HA   LYS  19           HA       LYS  19  13.552   2.363  -3.520
  165   1HB   LYS  19          HB2       LYS  19  11.588   3.453  -1.514
  166   2HB   LYS  19          HB1       LYS  19  12.612   4.510  -2.476
  167   1HG   LYS  19          HG2       LYS  19  11.013   2.449  -3.893
  168   2HG   LYS  19          HG1       LYS  19  10.176   3.859  -3.240
  169   1HD   LYS  19          HD2       LYS  19  11.585   5.345  -4.505
  170   2HD   LYS  19          HD1       LYS  19  12.583   3.997  -5.053
  171   1HE   LYS  19          HE2       LYS  19  11.042   3.297  -6.577
  172   2HE   LYS  19          HE1       LYS  19   9.675   3.856  -5.612
  173   1HZ   LYS  19          HZ1       LYS  19   9.868   5.215  -7.566
  174   2HZ   LYS  19          HZ2       LYS  19  11.497   5.544  -7.249
  175   3HZ   LYS  19          HZ3       LYS  19  10.298   6.155  -6.225
  176   1HN   NH2  20          HN1       LYS  19  13.448   2.497   0.123
  177   2HN   NH2  20          HN2       LYS  19  14.736   3.647   0.170
  Start of MODEL   40
    1   1H    LYS   1          HT1       LYS   1  17.051  -1.132   3.914
    2   2H    LYS   1          HT2       LYS   1  15.430  -0.710   4.151
    3   3H    LYS   1          HT3       LYS   1  16.658   0.236   4.829
    4    HA   LYS   1           HA       LYS   1  17.122   1.309   2.930
    5   1HB   LYS   1          HB2       LYS   1  16.818   0.187   0.692
    6   2HB   LYS   1          HB1       LYS   1  17.959  -0.602   1.769
    7   1HG   LYS   1          HG2       LYS   1  16.720  -2.466   1.933
    8   2HG   LYS   1          HG1       LYS   1  15.194  -1.580   1.941
    9   1HD   LYS   1          HD2       LYS   1  15.303  -2.901  -0.063
   10   2HD   LYS   1          HD1       LYS   1  15.471  -1.200  -0.502
   11   1HE   LYS   1          HE2       LYS   1  17.206  -1.991  -1.719
   12   2HE   LYS   1          HE1       LYS   1  18.056  -1.833  -0.182
   13   1HZ   LYS   1          HZ1       LYS   1  17.734  -4.141   0.255
   14   2HZ   LYS   1          HZ2       LYS   1  18.385  -4.000  -1.300
   15   3HZ   LYS   1          HZ3       LYS   1  16.738  -4.329  -1.100
   16    H    TRP   2           HN       TRP   2  15.648   1.653   0.644
   17    HA   TRP   2           HA       TRP   2  13.307   2.903   1.646
   18   1HB   TRP   2          HB2       TRP   2  12.849   3.419  -0.753
   19   2HB   TRP   2          HB1       TRP   2  14.459   3.891  -0.222
   20    HD1  TRP   2           HD1      TRP   2  16.519   2.743  -1.388
   21    HE1  TRP   2           HE1      TRP   2  16.754   1.190  -3.427
   22    HE3  TRP   2           HE3      TRP   2  11.608   1.456  -2.006
   23    HZ2  TRP   2           HZ2      TRP   2  15.082  -0.371  -5.077
   24    HZ3  TRP   2           HZ3      TRP   2  11.011  -0.072  -3.839
   25    HH2  TRP   2           HH2      TRP   2  12.714  -0.966  -5.343
   26    H    ALA   3           HN       ALA   3  13.769  -0.263   1.296
   27    HA   ALA   3           HA       ALA   3  11.532  -1.127  -0.211
   28   1HB   ALA   3          HB1       ALA   3  12.247  -3.010   1.837
   29   2HB   ALA   3          HB2       ALA   3  13.694  -2.334   1.089
   30   3HB   ALA   3          HB3       ALA   3  12.468  -3.116   0.090
   31    H    SER   4           HN       SER   4  11.420   0.711   2.433
   32    HA   SER   4           HA       SER   4   9.183  -0.707   3.692
   33   1HB   SER   4          HB2       SER   4   9.453   0.973   5.522
   34   2HB   SER   4          HB1       SER   4  10.891  -0.011   5.256
   35    HG   SER   4           HG       SER   4  11.295   1.974   3.713
   36    H    LEU   5           HN       LEU   5   8.879   0.600   1.120
   37    HA   LEU   5           HA       LEU   5   6.834   2.561   1.896
   38   1HB   LEU   5          HB2       LEU   5   7.347   3.957   0.005
   39   2HB   LEU   5          HB1       LEU   5   8.789   3.739   0.975
   40    HG   LEU   5           HG       LEU   5   9.242   1.799  -0.790
   41   1HD1  LEU   5          HD11      LEU   5   6.953   3.007  -1.857
   42   2HD1  LEU   5          HD12      LEU   5   8.011   1.831  -2.636
   43   3HD1  LEU   5          HD13      LEU   5   8.298   3.558  -2.855
   44   1HD2  LEU   5          HD21      LEU   5  10.834   3.178  -1.706
   45   2HD2  LEU   5          HD22      LEU   5  10.459   4.048  -0.219
   46   3HD2  LEU   5          HD23      LEU   5   9.758   4.574  -1.750
   47    H    TRP   6           HN       TRP   6   7.631  -0.257   0.214
   48    HA   TRP   6           HA       TRP   6   5.420  -0.053  -1.663
   49   1HB   TRP   6          HB2       TRP   6   6.281  -1.921  -2.737
   50   2HB   TRP   6          HB1       TRP   6   7.738  -1.178  -2.087
   51    HD1  TRP   6           HD1      TRP   6   9.103  -2.533  -0.294
   52    HE1  TRP   6           HE1      TRP   6   8.942  -4.938   0.605
   53    HE3  TRP   6           HE3      TRP   6   4.513  -3.798  -2.163
   54    HZ2  TRP   6           HZ2      TRP   6   7.115  -7.088   0.533
   55    HZ3  TRP   6           HZ3      TRP   6   3.632  -6.049  -1.701
   56    HH2  TRP   6           HH2      TRP   6   4.908  -7.659  -0.382
   57    H    ASN   7           HN       ASN   7   6.205  -1.605   1.365
   58    HA   ASN   7           HA       ASN   7   4.244  -3.565   1.479
   59   1HB   ASN   7          HB2       ASN   7   4.388  -2.606   4.082
   60   2HB   ASN   7          HB1       ASN   7   5.388  -3.874   3.381
   61   1HD2  ASN   7          HD21      ASN   7   5.209  -0.332   3.503
   62   2HD2  ASN   7          HD22      ASN   7   6.905  -0.085   3.713
   63    H    TRP   8           HN       TRP   8   3.925  -0.154   1.614
   64    HA   TRP   8           HA       TRP   8   1.114  -0.415   2.456
   65   1HB   TRP   8          HB2       TRP   8   1.268   1.529   3.610
   66   2HB   TRP   8          HB1       TRP   8   2.989   1.162   3.606
   67    HD1  TRP   8           HD1      TRP   8   4.557   2.659   2.056
   68    HE1  TRP   8           HE1      TRP   8   4.190   4.946   0.926
   69    HE3  TRP   8           HE3      TRP   8  -0.513   2.950   2.483
   70    HZ2  TRP   8           HZ2      TRP   8   2.017   6.648   0.298
   71    HZ3  TRP   8           HZ3      TRP   8  -1.666   4.924   1.597
   72    HH2  TRP   8           HH2      TRP   8  -0.429   6.741   0.527
   73    H    PHE   9           HN       PHE   9   3.252   0.548  -0.076
   74    HA   PHE   9           HA       PHE   9   1.505   2.203  -1.550
   75   1HB   PHE   9          HB2       PHE   9   4.081   1.675  -1.825
   76   2HB   PHE   9          HB1       PHE   9   3.488   0.451  -2.943
   77    HD1  PHE   9           HD1      PHE   9   3.846   4.029  -2.308
   78    HD2  PHE   9           HD2      PHE   9   2.425   1.077  -5.024
   79    HE1  PHE   9           HE1      PHE   9   3.664   5.740  -4.066
   80    HE2  PHE   9           HE2      PHE   9   2.241   2.783  -6.788
   81    HZ   PHE   9           HZ       PHE   9   2.861   5.118  -6.310
   82    H    ASN  10           HN       ASN  10   1.659  -1.202  -1.083
   83    HA   ASN  10           HA       ASN  10  -0.029  -1.758  -3.391
   84   1HB   ASN  10          HB2       ASN  10   0.293  -4.096  -2.873
   85   2HB   ASN  10          HB1       ASN  10   1.856  -3.288  -2.808
   86   1HD2  ASN  10          HD21      ASN  10  -0.826  -4.395  -0.794
   87   2HD2  ASN  10          HD22      ASN  10   0.130  -4.727   0.606
   88    H    ILE  11           HN       ILE  11  -0.321  -0.990  -0.127
   89    HA   ILE  11           HA       ILE  11  -2.742  -2.425   0.420
   90    HB   ILE  11           HB       ILE  11  -1.668  -0.021   1.895
   91   1HG1  ILE  11          HG12      ILE  11  -1.087  -2.968   2.268
   92   2HG1  ILE  11          HG11      ILE  11   0.066  -1.714   1.822
   93   1HG2  ILE  11          HG21      ILE  11  -3.108  -2.087   3.370
   94   2HG2  ILE  11          HG22      ILE  11  -4.086  -1.286   2.140
   95   3HG2  ILE  11          HG23      ILE  11  -3.297  -0.334   3.397
   96   1HD1  ILE  11          HD11      ILE  11   0.174  -2.476   4.198
   97   2HD1  ILE  11          HD12      ILE  11  -1.414  -1.747   4.438
   98   3HD1  ILE  11          HD13      ILE  11  -0.040  -0.739   3.983
   99    H    THR  12           HN       THR  12  -1.910   0.731  -0.832
  100    HA   THR  12           HA       THR  12  -4.415   1.984  -0.516
  101    HB   THR  12           HB       THR  12  -3.437   3.151  -2.782
  102    HG1  THR  12           HG1      THR  12  -1.193   2.186  -1.306
  103   1HG2  THR  12          HG21      THR  12  -3.083   3.601   0.130
  104   2HG2  THR  12          HG22      THR  12  -3.823   4.633  -1.094
  105   3HG2  THR  12          HG23      THR  12  -2.066   4.541  -0.962
  106    H    ASN  13           HN       ASN  13  -3.706  -0.723  -2.261
  107    HA   ASN  13           HA       ASN  13  -5.451  -0.157  -4.517
  108   1HB   ASN  13          HB2       ASN  13  -4.008  -2.713  -3.781
  109   2HB   ASN  13          HB1       ASN  13  -4.830  -2.389  -5.304
  110   1HD2  ASN  13          HD21      ASN  13  -1.960  -2.929  -4.445
  111   2HD2  ASN  13          HD22      ASN  13  -1.054  -1.703  -5.257
  112    H    TRP  14           HN       TRP  14  -5.374  -2.357  -1.716
  113    HA   TRP  14           HA       TRP  14  -8.135  -3.137  -2.273
  114   1HB   TRP  14          HB2       TRP  14  -7.666  -4.626  -0.161
  115   2HB   TRP  14          HB1       TRP  14  -7.022  -5.079  -1.733
  116    HD1  TRP  14           HD1      TRP  14  -4.346  -4.268  -2.121
  117    HE1  TRP  14           HE1      TRP  14  -2.415  -4.376  -0.432
  118    HE3  TRP  14           HE3      TRP  14  -7.067  -4.544   2.194
  119    HZ2  TRP  14           HZ2      TRP  14  -2.084  -4.563   2.366
  120    HZ3  TRP  14           HZ3      TRP  14  -5.866  -4.686   4.337
  121    HH2  TRP  14           HH2      TRP  14  -3.426  -4.696   4.420
  122    H    LEU  15           HN       LEU  15  -6.209  -1.511   0.197
  123    HA   LEU  15           HA       LEU  15  -8.214  -1.216   2.124
  124   1HB   LEU  15          HB2       LEU  15  -6.706   0.027   3.247
  125   2HB   LEU  15          HB1       LEU  15  -5.604  -0.549   2.015
  126    HG   LEU  15           HG       LEU  15  -6.365   1.632   0.758
  127   1HD1  LEU  15          HD11      LEU  15  -7.071   2.145   3.625
  128   2HD1  LEU  15          HD12      LEU  15  -8.006   2.496   2.172
  129   3HD1  LEU  15          HD13      LEU  15  -6.573   3.453   2.550
  130   1HD2  LEU  15          HD21      LEU  15  -4.391   2.660   1.472
  131   2HD2  LEU  15          HD22      LEU  15  -4.090   0.938   1.709
  132   3HD2  LEU  15          HD23      LEU  15  -4.504   1.959   3.086
  133    H    TRP  16           HN       TRP  16  -7.471   0.615  -0.778
  134    HA   TRP  16           HA       TRP  16  -9.202   2.797  -0.334
  135   1HB   TRP  16          HB2       TRP  16  -7.485   1.911  -2.400
  136   2HB   TRP  16          HB1       TRP  16  -9.076   2.101  -3.130
  137    HD1  TRP  16           HD1      TRP  16  -9.353   4.410  -4.158
  138    HE1  TRP  16           HE1      TRP  16  -8.538   6.793  -3.624
  139    HE3  TRP  16           HE3      TRP  16  -6.616   3.410   0.042
  140    HZ2  TRP  16           HZ2      TRP  16  -6.944   8.078  -1.679
  141    HZ3  TRP  16           HZ3      TRP  16  -5.475   5.271   1.178
  142    HH2  TRP  16           HH2      TRP  16  -5.636   7.555   0.333
  143    H    TYR  17           HN       TYR  17  -9.670  -0.464  -1.351
  144    HA   TYR  17           HA       TYR  17 -12.352  -0.091  -2.340
  145   1HB   TYR  17          HB2       TYR  17 -11.525  -1.926  -3.410
  146   2HB   TYR  17          HB1       TYR  17 -10.413  -2.314  -2.103
  147    HD1  TYR  17           HD1      TYR  17 -10.957  -3.962  -0.488
  148    HD2  TYR  17           HD2      TYR  17 -13.923  -2.637  -3.236
  149    HE1  TYR  17           HE1      TYR  17 -12.421  -5.810   0.211
  150    HE2  TYR  17           HE2      TYR  17 -15.396  -4.480  -2.543
  151    HH   TYR  17           HH       TYR  17 -15.244  -6.066   0.096
  152    H    ILE  18           HN       ILE  18 -10.774  -0.917   0.642
  153    HA   ILE  18           HA       ILE  18 -13.052  -1.975   1.989
  154    HB   ILE  18           HB       ILE  18 -10.534  -0.765   3.149
  155   1HG1  ILE  18          HG12      ILE  18 -11.179  -3.691   2.777
  156   2HG1  ILE  18          HG11      ILE  18 -10.296  -2.758   1.574
  157   1HG2  ILE  18          HG21      ILE  18 -11.460  -2.661   4.912
  158   2HG2  ILE  18          HG22      ILE  18 -12.941  -1.880   4.357
  159   3HG2  ILE  18          HG23      ILE  18 -11.653  -0.915   5.078
  160   1HD1  ILE  18          HD11      ILE  18  -8.941  -4.139   3.214
  161   2HD1  ILE  18          HD12      ILE  18  -9.385  -2.934   4.423
  162   3HD1  ILE  18          HD13      ILE  18  -8.465  -2.456   2.996
  163    H    LYS  19           HN       LYS  19 -11.547   1.217   1.798
  164    HA   LYS  19           HA       LYS  19 -13.331   2.429   3.678
  165   1HB   LYS  19          HB2       LYS  19 -11.122   3.314   1.919
  166   2HB   LYS  19          HB1       LYS  19 -12.322   4.535   2.318
  167   1HG   LYS  19          HG2       LYS  19 -11.832   3.424   4.757
  168   2HG   LYS  19          HG1       LYS  19 -10.251   3.318   3.979
  169   1HD   LYS  19          HD2       LYS  19 -11.775   5.872   3.791
  170   2HD   LYS  19          HD1       LYS  19 -10.976   5.473   5.313
  171   1HE   LYS  19          HE2       LYS  19  -9.243   4.995   3.048
  172   2HE   LYS  19          HE1       LYS  19  -9.828   6.660   3.069
  173   1HZ   LYS  19          HZ1       LYS  19  -7.806   6.525   4.329
  174   2HZ   LYS  19          HZ2       LYS  19  -8.405   5.252   5.269
  175   3HZ   LYS  19          HZ3       LYS  19  -9.081   6.797   5.409
  176   1HN   NH2  20          HN1       LYS  19 -13.650   2.613  -0.149
  177   2HN   NH2  20          HN2       LYS  19 -14.943   1.649   0.471