*HEADER    DE NOVO PROTEIN                         31-JUL-18   6H7I              
*TITLE     TRPZIP2 STRUCTURE IN PRESENCE OF EXOGENOUS HALOPROTECTANT MOLECULE.   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRPZIP2;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: SYNTHETIC                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    STABILISATION, HALOPHILIC, DE NOVO PROTEIN                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.H.PRIOR                                                             
*REVDAT   1   14-AUG-19 6H7I    0                                                
# Restraints file 1: dist.tbl
assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 2.5 0.8 0.5 volume=11336356.000 peak=1 ppm1=9.687 ppm2=5.043

assign ( resid 3 and name H
	 )
       ( resid 2 and name HA
	 ) 2.5 0.8 0.5 volume=10747699.000 peak=2 ppm1=9.402 ppm2=5.117

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HD1
	 ) 2.3 0.6 0.5 volume=16422139.000 peak=3 ppm1=10.161 ppm2=7.311

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HD1
	 ) 2.4 0.7 0.5 volume=14808640.000 peak=4 ppm1=9.927 ppm2=6.720

assign ( resid 4 and name HE1
	 )
       ( resid 4 and name HD1
	 ) 2.4 0.7 0.5 volume=13545157.000 peak=5 ppm1=9.792 ppm2=6.769

assign ( resid 9 and name HE1
	 )
       ( resid 9 and name HD1
	 ) 2.3 0.6 0.5 volume=17186073.000 peak=6 ppm1=9.733 ppm2=7.148

assign ( resid 8 and name H
	 )
       ( resid 7 and name HA2
	 ) 3.5 1.7 0.7 volume=1490468.000 peak=7 ppm1=6.812 ppm2=3.172

assign ( resid 8 and name H
	 )
       ( resid 7 and name HA3
	 ) 3.4 1.7 0.7 volume=1609231.000 peak=8 ppm1=6.814 ppm2=3.756

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 2.9 1.2 0.6 volume=4541268.000 peak=9 ppm1=9.033 ppm2=4.275

assign ( resid 1 and name HA
	 )
       ( resid 2 and name H
	 ) 2.8 1.1 0.6 volume=5534387.000 peak=10 ppm1=3.468 ppm2=8.772

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HB3
	 or resid 1 and name HB2
	 ) 2.6 0.9 0.5 volume=8060830.000 peak=11 ppm1=3.465 ppm2=3.739

assign ( resid 4 and name H
	 )
       ( resid 4 and name HA
	 ) 3.8 1.9 0.8 volume=885130.000 peak=12 ppm1=8.684 ppm2=4.575

assign ( resid 6 and name HD21
	 )
       ( resid 6 and name HD22
	 ) 2.0 0.3 0.4 volume=41681710.000 peak=13 ppm1=6.572 ppm2=7.246

assign ( resid 6 and name HD21
	 )
       ( resid 6 and name HA
	 ) 3.1 1.4 0.6 volume=2864075.000 peak=14 ppm1=6.571 ppm2=4.091

assign ( resid 6 and name HD22
	 )
       ( resid 6 and name HA
	 ) 2.7 1.0 0.5 volume=6177221.000 peak=15 ppm1=7.247 ppm2=4.096

assign ( resid 1 and name HN1
	 )
       ( resid 1 and name HN2
	 ) 1.9 0.2 0.4 volume=54759918.000 peak=16 ppm1=6.811 ppm2=7.509

assign ( resid 1 and name HN2
	 )
       ( resid 1 and name HN1
	 ) 1.9 0.2 0.4 volume=53771155.000 peak=17 ppm1=7.511 ppm2=6.811

assign ( resid 2 and name HE1
	 )
       ( resid 11 and name HZ3
	 ) 3.2 1.4 0.6 volume=2662530.000 peak=18 ppm1=10.162 ppm2=6.505

assign ( resid 2 and name HE1
	 )
       ( resid 11 and name HE3
	 ) 3.5 1.8 0.7 volume=1381331.000 peak=19 ppm1=10.163 ppm2=5.245

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HZ2
	 ) 2.8 1.1 0.6 volume=5663382.000 peak=20 ppm1=9.928 ppm2=7.313

assign ( resid 4 and name HE1
	 )
       ( resid 4 and name HZ2
	 ) 2.8 1.0 0.6 volume=5874674.000 peak=21 ppm1=9.792 ppm2=7.132

assign ( resid 4 and name HE1
	 )
       ( resid 7 and name H
	 ) 3.6 1.8 0.7 volume=1248030.000 peak=22 ppm1=9.796 ppm2=7.495

assign ( resid 9 and name HE1
	 )
       ( resid 4 and name HZ3
	 ) 3.3 1.6 0.7 volume=2019155.000 peak=23 ppm1=9.733 ppm2=6.497

assign ( resid 9 and name HE1
	 )
       ( resid 4 and name HE3
	 ) 3.5 1.7 0.7 volume=1459672.000 peak=24 ppm1=9.735 ppm2=5.703

assign ( resid 10 and name H
	 )
       ( resid 10 and name HB
	 ) 3.2 1.5 0.6 volume=2375281.000 peak=25 ppm1=9.697 ppm2=3.939

assign ( resid 10 and name H
	 )
       ( resid 2 and name HZ3
	 ) 3.4 1.7 0.7 volume=1789536.000 peak=26 ppm1=9.683 ppm2=7.133

assign ( resid 10 and name H
	 )
       ( resid 2 and name HE3
	 ) 3.5 1.7 0.7 volume=1547835.000 peak=27 ppm1=9.686 ppm2=7.299

assign ( resid 10 and name H
	 )
       ( resid 3 and name H
	 ) 3.1 1.4 0.6 volume=2826008.000 peak=28 ppm1=9.687 ppm2=9.406

assign ( resid 3 and name H
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.5 1.8 0.7 volume=1376307.000 peak=29 ppm1=9.399 ppm2=2.961

assign ( resid 3 and name H
	 )
       ( resid 3 and name HB
	 ) 3.5 1.7 0.7 volume=1559247.000 peak=30 ppm1=9.411 ppm2=3.936

assign ( resid 3 and name H
	 )
       ( resid 2 and name HZ3
	 ) 3.7 1.8 0.7 volume=1083901.000 peak=31 ppm1=9.402 ppm2=7.123

assign ( resid 3 and name H
	 )
       ( resid 2 and name HE3
	 ) 3.4 1.7 0.7 volume=1716973.000 peak=32 ppm1=9.400 ppm2=7.312

assign ( resid 6 and name H
	 )
       ( resid 7 and name H
	 ) 3.7 1.8 0.7 volume=1097476.000 peak=33 ppm1=9.035 ppm2=7.489

assign ( resid 3 and name H
	 )
       ( resid 10 and name H
	 ) 3.3 1.6 0.7 volume=2112743.000 peak=34 ppm1=9.401 ppm2=9.696

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB2
	 ) 3.5 1.8 0.7 volume=1377703.000 peak=35 ppm1=7.526 ppm2=1.295

assign ( resid 12 and name H
	 )
       ( resid 11 and name HA
	 ) 2.5 0.7 0.5 volume=11936679.000 peak=36 ppm1=7.525 ppm2=4.158

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA2
	 ) 2.7 1.0 0.5 volume=6874100.000 peak=37 ppm1=7.493 ppm2=3.164

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA3
	 ) 2.9 1.2 0.6 volume=4191742.000 peak=38 ppm1=7.495 ppm2=3.743

assign ( resid 7 and name H
	 )
       ( resid 6 and name HA
	 ) 2.8 1.1 0.6 volume=5299126.000 peak=39 ppm1=7.492 ppm2=4.103

assign ( resid 7 and name H
	 )
       ( resid 4 and name HZ2
	 ) 3.3 1.6 0.7 volume=2066658.000 peak=40 ppm1=7.492 ppm2=7.126

assign ( resid 12 and name H
	 )
       ( resid 2 and name HA
	 ) 3.5 1.8 0.7 volume=1357274.000 peak=41 ppm1=7.506 ppm2=5.108

assign ( resid 12 and name H
	 )
       ( resid 11 and name HZ3
	 ) 3.5 1.8 0.7 volume=1372599.000 peak=42 ppm1=7.514 ppm2=6.522

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HZ3
	 ) 2.5 0.8 0.5 volume=9804912.000 peak=43 ppm1=5.714 ppm2=6.498

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HZ2
	 or resid 9 and name HD1
	 ) 3.3 1.6 0.7 volume=2139860.000 peak=44 ppm1=5.712 ppm2=7.129

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HA
	 ) 3.1 1.4 0.6 volume=2957136.000 peak=45 ppm1=5.705 ppm2=4.591

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HB3
	 ) 3.4 1.6 0.7 volume=1834209.000 peak=46 ppm1=5.714 ppm2=2.858

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HB2
	 ) 3.2 1.4 0.6 volume=2663062.000 peak=47 ppm1=5.706 ppm2=2.005

assign ( resid 4 and name HZ3
	 )
       ( resid 4 and name HE3
	 ) 2.6 0.9 0.5 volume=9063212.000 peak=48 ppm1=6.498 ppm2=5.708

assign ( resid 4 and name HZ3
	 )
       ( resid 4 and name HH2
	 ) 2.4 0.7 0.5 volume=12223550.000 peak=49 ppm1=6.489 ppm2=6.887

assign ( resid 4 and name HH2
	 )
       ( resid 4 and name HZ3
	 ) 2.5 0.7 0.5 volume=12048255.000 peak=50 ppm1=6.888 ppm2=6.494

assign ( resid 4 and name HH2
	 )
       ( resid 4 and name HZ2
	 ) 2.3 0.5 0.5 volume=20272759.000 peak=51 ppm1=6.882 ppm2=7.132

assign ( resid 4 and name HZ2
	 )
       ( resid 4 and name HH2
	 ) 2.1 0.4 0.4 volume=32242404.000 peak=52 ppm1=7.138 ppm2=6.900

assign ( resid 2 and name HD1
	 )
       ( resid 2 and name HE1
	 ) 2.3 0.6 0.5 volume=16776734.000 peak=53 ppm1=7.308 ppm2=10.161

assign ( resid 11 and name HZ3
	 )
       ( resid 2 and name HE1
	 ) 3.3 1.6 0.7 volume=1890883.000 peak=54 ppm1=6.508 ppm2=10.161

assign ( resid 11 and name HZ2
	 )
       ( resid 11 and name HE1
	 ) 2.9 1.2 0.6 volume=4012085.000 peak=55 ppm1=7.309 ppm2=9.931

assign ( resid 2 and name HE3
	 )
       ( resid 10 and name H
	 ) 3.3 1.6 0.7 volume=1997082.000 peak=56 ppm1=7.314 ppm2=9.709

assign ( resid 2 and name HD1
	 )
       ( resid 2 and name H
	 ) 3.1 1.4 0.6 volume=2746916.000 peak=57 ppm1=7.307 ppm2=8.777

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 3.3 1.6 0.7 volume=1958769.000 peak=58 ppm1=7.492 ppm2=9.026

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HZ3
	 ) 2.6 0.8 0.5 volume=9330522.000 peak=59 ppm1=5.246 ppm2=6.509

assign ( resid 11 and name HE3
	 )
       ( resid 2 and name HD1
	 or resid 2 and name HE3
	 ) 3.3 1.6 0.7 volume=1937064.000 peak=60 ppm1=5.250 ppm2=7.312

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HA
	 ) 3.1 1.4 0.6 volume=3022348.000 peak=61 ppm1=5.254 ppm2=4.167

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HB3
	 ) 3.3 1.6 0.7 volume=1894997.000 peak=62 ppm1=5.245 ppm2=1.942

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HD1
	 ) 3.3 1.5 0.7 volume=2239977.000 peak=63 ppm1=5.118 ppm2=7.308

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.2 1.5 0.6 volume=2396298.000 peak=64 ppm1=5.120 ppm2=2.936

assign ( resid 9 and name HA
	 )
       ( resid 2 and name HZ3
	 ) 3.4 1.6 0.7 volume=1860460.000 peak=65 ppm1=5.043 ppm2=7.127

assign ( resid 2 and name HA
	 )
       ( resid 3 and name H
	 ) 2.9 1.1 0.6 volume=4819262.000 peak=66 ppm1=5.120 ppm2=9.405

assign ( resid 9 and name HA
	 )
       ( resid 10 and name H
	 ) 3.0 1.3 0.6 volume=3459391.000 peak=67 ppm1=5.049 ppm2=9.696

assign ( resid 4 and name HZ3
	 )
       ( resid 9 and name HE1
	 ) 3.5 1.7 0.7 volume=1507173.000 peak=68 ppm1=6.498 ppm2=9.742

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HE3
	 ) 2.5 0.7 0.5 volume=12143668.000 peak=69 ppm1=6.509 ppm2=5.251

assign ( resid 4 and name HZ3
	 )
       ( resid 8 and name HA
	 ) 3.2 1.5 0.6 volume=2317481.000 peak=70 ppm1=6.503 ppm2=4.195

assign ( resid 4 and name HZ3
	 )
       ( resid 9 and name H
	 ) 3.6 1.8 0.7 volume=1254195.000 peak=71 ppm1=6.499 ppm2=8.504

assign ( resid 11 and name HZ3
	 )
       ( resid 1 and name HA
	 ) 3.2 1.5 0.6 volume=2269399.000 peak=72 ppm1=6.509 ppm2=3.464

assign ( resid 2 and name HD1
	 )
       ( resid 1 and name HA
	 ) 3.4 1.7 0.7 volume=1650700.000 peak=73 ppm1=7.307 ppm2=3.461

assign ( resid 9 and name HD1
	 )
       ( resid 4 and name HE3
	 ) 3.2 1.5 0.6 volume=2444797.000 peak=74 ppm1=7.148 ppm2=5.715

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name H
	 ) 3.2 1.5 0.6 volume=2452031.000 peak=75 ppm1=3.179 ppm2=8.512

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name H
	 ) 3.0 1.3 0.6 volume=3733234.000 peak=76 ppm1=2.822 ppm2=8.510

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name H
	 ) 3.0 1.3 0.6 volume=3631547.000 peak=77 ppm1=2.865 ppm2=8.682

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name H
	 ) 3.1 1.4 0.6 volume=2726741.000 peak=78 ppm1=2.026 ppm2=8.678

assign ( resid 2 and name HB3
	 or resid 2 and name HB2
	 )
       ( resid 2 and name H
	 ) 3.1 1.4 0.6 volume=3073312.000 peak=79 ppm1=2.948 ppm2=8.768

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name H
	 ) 3.0 1.2 0.6 volume=3921420.000 peak=80 ppm1=2.669 ppm2=8.848

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name H
	 ) 3.2 1.5 0.6 volume=2479253.000 peak=81 ppm1=1.949 ppm2=8.854

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name HD1
	 ) 3.1 1.4 0.6 volume=2889006.000 peak=82 ppm1=2.669 ppm2=6.722

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HD1
	 ) 3.6 1.8 0.7 volume=1150735.000 peak=83 ppm1=1.947 ppm2=6.716

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HE3
	 ) 3.3 1.6 0.7 volume=2066531.000 peak=84 ppm1=1.950 ppm2=5.245

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name HA
	 ) 3.6 1.8 0.7 volume=1230013.000 peak=85 ppm1=2.670 ppm2=4.163

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HA
	 ) 3.0 1.3 0.6 volume=3560903.000 peak=86 ppm1=1.949 ppm2=4.164

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HB2
	 ) 2.3 0.6 0.5 volume=16135805.000 peak=87 ppm1=1.950 ppm2=2.668

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name HB3
	 ) 2.3 0.6 0.5 volume=15870389.000 peak=88 ppm1=2.669 ppm2=1.935

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB3
	 ) 3.2 1.5 0.6 volume=2575388.000 peak=89 ppm1=4.181 ppm2=1.931

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB2
	 ) 3.4 1.6 0.7 volume=1850134.000 peak=90 ppm1=4.183 ppm2=2.673

assign ( resid 11 and name HD1
	 )
       ( resid 11 and name HB3
	 ) 3.2 1.4 0.6 volume=2645976.000 peak=91 ppm1=6.722 ppm2=1.941

assign ( resid 11 and name HD1
	 )
       ( resid 11 and name HB2
	 ) 2.6 0.9 0.5 volume=8393013.000 peak=92 ppm1=6.722 ppm2=2.667

assign ( resid 4 and name HD1
	 )
       ( resid 4 and name HB2
	 ) 3.0 1.2 0.6 volume=3997980.000 peak=93 ppm1=6.769 ppm2=2.011

assign ( resid 4 and name HD1
	 )
       ( resid 4 and name HB3
	 ) 2.7 1.0 0.5 volume=7074320.000 peak=94 ppm1=6.769 ppm2=2.863

assign ( resid 11 and name HD1
	 )
       ( resid 11 and name HE1
	 ) 2.3 0.6 0.5 volume=18208522.000 peak=95 ppm1=6.721 ppm2=9.927

assign ( resid 4 and name HD1
	 )
       ( resid 4 and name HE1
	 ) 2.3 0.6 0.5 volume=17860071.000 peak=96 ppm1=6.769 ppm2=9.791

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name HE1
	 ) 2.3 0.6 0.5 volume=19193768.000 peak=97 ppm1=7.147 ppm2=9.738

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HD1
	 ) 2.8 1.1 0.6 volume=5000347.000 peak=98 ppm1=3.179 ppm2=7.134

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HD1
	 ) 3.0 1.3 0.6 volume=3375701.000 peak=99 ppm1=2.822 ppm2=7.137

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HA
	 ) 3.1 1.4 0.6 volume=2987710.000 peak=100 ppm1=3.179 ppm2=5.049

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HA
	 ) 3.5 1.7 0.7 volume=1551762.000 peak=101 ppm1=2.821 ppm2=5.049

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HB3
	 ) 2.3 0.6 0.5 volume=17259120.000 peak=102 ppm1=2.820 ppm2=3.160

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HB2
	 ) 2.2 0.5 0.4 volume=23634867.000 peak=103 ppm1=3.178 ppm2=2.823

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name HB2
	 ) 2.7 0.9 0.5 volume=7462806.000 peak=104 ppm1=7.146 ppm2=2.827

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name HB3
	 ) 2.6 0.9 0.5 volume=8098015.000 peak=105 ppm1=7.143 ppm2=3.162

assign ( resid 2 and name HZ3
	 )
       ( resid 11 and name HA
	 ) 3.5 1.8 0.7 volume=1356860.000 peak=106 ppm1=7.148 ppm2=4.172

assign ( resid 2 and name HE3
	 )
       ( resid 11 and name HA
	 ) 3.2 1.5 0.6 volume=2599447.000 peak=107 ppm1=7.314 ppm2=4.165

assign ( resid 2 and name HE3
	 )
       ( resid 9 and name HB3
	 ) 2.9 1.2 0.6 volume=4489975.000 peak=108 ppm1=7.312 ppm2=3.160

assign ( resid 2 and name HD1
	 or resid 2 and name HE3
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 2.4 0.7 0.5 volume=13754723.000 peak=109 ppm1=7.308 ppm2=2.935

assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 3.1 1.4 0.6 volume=2918467.000 peak=110 ppm1=6.804 ppm2=4.191

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG2
	 or resid 8 and name HG3
	 ) 3.5 1.8 0.7 volume=1398327.000 peak=111 ppm1=6.803 ppm2=1.579

assign ( resid 4 and name HH2
	 )
       ( resid 8 and name HA
	 ) 3.7 1.9 0.7 volume=1006375.000 peak=112 ppm1=6.887 ppm2=4.181

assign ( resid 4 and name HE3
	 )
       ( resid 8 and name HA
	 ) 4.0 2.0 0.8 volume=694018.000 peak=113 ppm1=5.712 ppm2=4.194

assign ( resid 9 and name HZ3
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.3 1.5 0.7 volume=2215050.000 peak=114 ppm1=6.982 ppm2=2.935

assign ( resid 9 and name HZ3
	 )
       ( resid 4 and name H
	 ) 3.4 1.7 0.7 volume=1643796.000 peak=115 ppm1=6.983 ppm2=8.692

assign ( resid 8 and name H
	 )
       ( resid 5 and name H
	 ) 3.1 1.4 0.6 volume=2832519.000 peak=116 ppm1=6.802 ppm2=8.416

assign ( resid 9 and name HZ3
	 )
       ( resid 4 and name HB2
	 ) 3.4 1.7 0.7 volume=1583240.000 peak=117 ppm1=6.987 ppm2=2.000

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name H
	 ) 3.1 1.4 0.6 volume=2732078.000 peak=118 ppm1=7.146 ppm2=8.509

assign ( resid 9 and name HZ3
	 )
       ( resid 9 and name HH2
	 ) 2.1 0.3 0.4 volume=35379428.000 peak=119 ppm1=6.982 ppm2=7.127

assign ( resid 2 and name HZ3
	 )
       ( resid 11 and name H
	 ) 3.3 1.6 0.7 volume=1989215.000 peak=120 ppm1=7.118 ppm2=8.856

assign ( resid 2 and name HZ3
	 )
       ( resid 11 and name HB3
	 ) 3.2 1.5 0.6 volume=2269303.000 peak=121 ppm1=7.120 ppm2=1.961

assign ( resid 4 and name HH2
	 )
       ( resid 4 and name HE3
	 ) 3.6 1.8 0.7 volume=1205439.000 peak=122 ppm1=6.904 ppm2=5.714

assign ( resid 6 and name HD22
	 )
       ( resid 6 and name HD21
	 ) 2.0 0.3 0.4 volume=41977314.000 peak=123 ppm1=7.247 ppm2=6.571

assign ( resid 2 and name HD1
	 )
       ( resid 11 and name HZ3
	 ) 2.8 1.1 0.6 volume=5800977.000 peak=124 ppm1=7.311 ppm2=6.508

assign ( resid 2 and name HZ3
	 or resid 9 and name HE3
	 )
       ( resid 9 and name HA
	 ) 2.6 0.9 0.5 volume=7679126.000 peak=125 ppm1=7.124 ppm2=5.047

assign ( resid 9 and name HH2
	 )
       ( resid 9 and name HZ3
	 ) 2.1 0.4 0.4 volume=32020153.000 peak=126 ppm1=7.128 ppm2=6.951

assign ( resid 2 and name HZ3
	 )
       ( resid 2 and name HE3
	 ) 2.2 0.5 0.4 volume=23642673.000 peak=127 ppm1=7.119 ppm2=7.307

assign ( resid 9 and name HE3
	 or resid 9 and name HH2
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 2.7 1.0 0.5 volume=6951197.000 peak=128 ppm1=7.122 ppm2=2.939

assign ( resid 2 and name HZ3
	 )
       ( resid 10 and name HG2#
	 ) 3.6 1.8 0.7 volume=1160471.000 peak=129 ppm1=7.137 ppm2=1.111

assign ( resid 2 and name HH2
	 or resid 2 and name HZ2
	 )
       ( resid 11 and name HB3
	 ) 3.7 1.9 0.7 volume=996898.000 peak=130 ppm1=7.198 ppm2=1.938

assign ( resid 2 and name HE3
	 )
       ( resid 11 and name HB3
	 ) 3.5 1.7 0.7 volume=1556014.000 peak=131 ppm1=7.321 ppm2=1.939

assign ( resid 4 and name HZ2
	 or resid 9 and name HD1
	 )
       ( resid 4 and name HZ3
	 ) 2.6 0.9 0.5 volume=7893361.000 peak=132 ppm1=7.145 ppm2=6.506

assign ( resid 11 and name HH2
	 )
       ( resid 11 and name HZ3
	 ) 2.5 0.8 0.5 volume=11406629.000 peak=133 ppm1=7.026 ppm2=6.509

assign ( resid 2 and name HD1
	 or resid 2 and name HE3
	 )
       ( resid 11 and name HE3
	 ) 3.0 1.3 0.6 volume=3331141.000 peak=134 ppm1=7.311 ppm2=5.247

assign ( resid 2 and name HE3
	 )
       ( resid 3 and name H
	 ) 3.7 1.8 0.7 volume=1062340.000 peak=135 ppm1=7.304 ppm2=9.402

assign ( resid 11 and name HH2
	 )
       ( resid 11 and name HZ2
	 ) 2.3 0.6 0.5 volume=18205682.000 peak=136 ppm1=7.018 ppm2=7.315

assign ( resid 11 and name HD1
	 )
       ( resid 12 and name HA
	 ) 3.5 1.7 0.7 volume=1555679.000 peak=137 ppm1=6.724 ppm2=4.130

assign ( resid 4 and name HZ2
	 )
       ( resid 7 and name HA3
	 ) 3.5 1.8 0.7 volume=1329448.000 peak=138 ppm1=7.140 ppm2=3.741

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HH2
	 ) 3.6 1.8 0.7 volume=1157742.000 peak=139 ppm1=5.709 ppm2=6.875

assign ( resid 5 and name HA
	 )
       ( resid 6 and name H
	 ) 3.0 1.3 0.6 volume=3535232.000 peak=140 ppm1=4.276 ppm2=9.030

assign ( resid 10 and name HG2#
	 )
       ( resid 10 and name HB
	 ) 3.2 1.5 0.6 volume=2347234.000 peak=141 ppm1=1.100 ppm2=3.951

assign ( resid 3 and name HG2#
	 )
       ( resid 3 and name HB
	 ) 3.3 1.6 0.7 volume=2038848.000 peak=142 ppm1=1.037 ppm2=3.926

assign ( resid 10 and name HG2#
	 )
       ( resid 8 and name HG2
	 or resid 8 and name HG3
	 ) 3.4 1.7 0.7 volume=1696881.000 peak=143 ppm1=1.101 ppm2=1.582

assign ( resid 3 and name HG2#
	 )
       ( resid 12 and name HD3
	 or resid 12 and name HD2
	 or resid 12 and name HB3
	 ) 3.3 1.6 0.7 volume=1962577.000 peak=144 ppm1=1.037 ppm2=1.419

assign ( resid 10 and name HG2#
	 )
       ( resid 12 and name HD3
	 or resid 12 and name HD2
	 or resid 12 and name HB3
	 ) 3.3 1.5 0.7 volume=2166284.000 peak=145 ppm1=1.119 ppm2=1.421

assign ( resid 8 and name HA
	 )
       ( resid 9 and name H
	 ) 2.7 1.0 0.5 volume=6734558.000 peak=146 ppm1=4.190 ppm2=8.509

assign ( resid 6 and name HA
	 )
       ( resid 6 and name H
	 ) 2.8 1.0 0.6 volume=6003176.000 peak=147 ppm1=4.103 ppm2=9.028

assign ( resid 6 and name HA
	 )
       ( resid 7 and name H
	 ) 2.9 1.2 0.6 volume=4343020.000 peak=148 ppm1=4.103 ppm2=7.505

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HD22
	 ) 3.1 1.4 0.6 volume=2762405.000 peak=149 ppm1=4.101 ppm2=7.250

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HD21
	 ) 3.5 1.8 0.7 volume=1395908.000 peak=150 ppm1=4.090 ppm2=6.572

assign ( resid 1 and name HA
	 )
       ( resid 2 and name HD1
	 ) 3.7 1.9 0.7 volume=1000186.000 peak=151 ppm1=3.470 ppm2=7.309

assign ( resid 1 and name HA
	 )
       ( resid 11 and name HH2
	 ) 3.4 1.7 0.7 volume=1576250.000 peak=152 ppm1=3.469 ppm2=7.026

assign ( resid 1 and name HA
	 )
       ( resid 11 and name HZ3
	 ) 3.2 1.4 0.6 volume=2665255.000 peak=153 ppm1=3.470 ppm2=6.508

assign ( resid 7 and name HA3
	 )
       ( resid 7 and name H
	 ) 3.3 1.6 0.7 volume=1962303.000 peak=154 ppm1=3.727 ppm2=7.493

assign ( resid 7 and name HA3
	 )
       ( resid 7 and name HA2
	 ) 2.4 0.6 0.5 volume=15117000.000 peak=155 ppm1=3.727 ppm2=3.165

assign ( resid 7 and name HA2
	 )
       ( resid 7 and name HA3
	 ) 2.4 0.7 0.5 volume=13142327.000 peak=156 ppm1=3.185 ppm2=3.745

assign ( resid 10 and name HB
	 )
       ( resid 10 and name H
	 ) 3.2 1.5 0.6 volume=2584119.000 peak=157 ppm1=3.949 ppm2=9.688

assign ( resid 3 and name HB
	 )
       ( resid 3 and name H
	 ) 3.4 1.7 0.7 volume=1583167.000 peak=158 ppm1=3.919 ppm2=9.419

assign ( resid 3 and name HB
	 )
       ( resid 4 and name H
	 ) 3.5 1.7 0.7 volume=1452957.000 peak=159 ppm1=3.927 ppm2=8.675

assign ( resid 10 and name HB
	 )
       ( resid 10 and name HG2#
	 ) 3.1 1.4 0.6 volume=3111633.000 peak=160 ppm1=3.950 ppm2=1.091

assign ( resid 3 and name HB
	 )
       ( resid 3 and name HG2#
	 ) 3.1 1.4 0.6 volume=3130383.000 peak=161 ppm1=3.938 ppm2=1.059

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB3
	 ) 3.0 1.3 0.6 volume=3748782.000 peak=162 ppm1=4.102 ppm2=2.840

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HB3
	 ) 3.5 1.7 0.7 volume=1525295.000 peak=163 ppm1=4.099 ppm2=1.422

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB2
	 ) 3.3 1.6 0.7 volume=1926643.000 peak=164 ppm1=4.123 ppm2=2.549

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HE3
	 ) 3.5 1.8 0.7 volume=1342248.000 peak=165 ppm1=4.181 ppm2=5.253

assign ( resid 11 and name HA
	 )
       ( resid 2 and name HA
	 ) 3.3 1.6 0.7 volume=1959586.000 peak=166 ppm1=4.178 ppm2=5.118

assign ( resid 11 and name HA
	 )
       ( resid 12 and name H
	 ) 2.8 1.1 0.6 volume=5016887.000 peak=167 ppm1=4.166 ppm2=7.519

assign ( resid 8 and name HA
	 )
       ( resid 8 and name H
	 ) 3.4 1.7 0.7 volume=1670332.000 peak=168 ppm1=4.179 ppm2=6.805

assign ( resid 7 and name HA2
	 )
       ( resid 7 and name H
	 ) 2.9 1.2 0.6 volume=4592984.000 peak=169 ppm1=3.184 ppm2=7.489

assign ( resid 9 and name HB3
	 )
       ( resid 2 and name HE3
	 ) 3.2 1.5 0.6 volume=2589233.000 peak=170 ppm1=3.180 ppm2=7.312

assign ( resid 2 and name HB3
	 or resid 2 and name HB2
	 )
       ( resid 2 and name HD1
	 or resid 2 and name HE3
	 ) 2.7 0.9 0.5 volume=7522726.000 peak=171 ppm1=2.946 ppm2=7.307

assign ( resid 2 and name HB3
	 or resid 2 and name HB2
	 )
       ( resid 2 and name HZ3
	 or resid 9 and name HH2
	 ) 2.8 1.1 0.6 volume=5643607.000 peak=172 ppm1=2.946 ppm2=7.127

assign ( resid 2 and name HB3
	 or resid 2 and name HB2
	 )
       ( resid 9 and name HZ3
	 ) 3.5 1.8 0.7 volume=1417383.000 peak=173 ppm1=2.944 ppm2=7.003

assign ( resid 2 and name HB3
	 or resid 2 and name HB2
	 )
       ( resid 2 and name HA
	 ) 2.9 1.1 0.6 volume=4786367.000 peak=174 ppm1=2.946 ppm2=5.115

assign ( resid 2 and name HB3
	 or resid 2 and name HB2
	 )
       ( resid 3 and name H
	 ) 3.5 1.7 0.7 volume=1497956.000 peak=175 ppm1=2.947 ppm2=9.399

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HD1
	 ) 3.2 1.5 0.6 volume=2472125.000 peak=176 ppm1=2.865 ppm2=6.775

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HD1
	 ) 3.4 1.7 0.7 volume=1595676.000 peak=177 ppm1=2.029 ppm2=6.774

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HE3
	 ) 3.4 1.7 0.7 volume=1633828.000 peak=178 ppm1=2.027 ppm2=5.707

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HE3
	 ) 3.7 1.8 0.7 volume=1086540.000 peak=179 ppm1=2.864 ppm2=5.706

assign ( resid 1 and name HB3
	 or resid 1 and name HB2
	 )
       ( resid 1 and name HA
	 ) 2.9 1.1 0.6 volume=4908512.000 peak=180 ppm1=3.747 ppm2=3.463

assign ( resid 1 and name HA
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.6 1.8 0.7 volume=1253116.000 peak=181 ppm1=3.468 ppm2=2.940

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HB3
	 ) 2.4 0.6 0.5 volume=15036704.000 peak=182 ppm1=2.542 ppm2=2.839

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HA
	 ) 3.7 1.8 0.7 volume=1092466.000 peak=183 ppm1=2.516 ppm2=4.096

assign ( resid 6 and name HB3
	 )
       ( resid 6 and name HA
	 ) 3.2 1.4 0.6 volume=2694066.000 peak=184 ppm1=2.822 ppm2=4.108

assign ( resid 6 and name HB3
	 )
       ( resid 6 and name HB2
	 ) 2.3 0.6 0.5 volume=17550657.000 peak=185 ppm1=2.849 ppm2=2.549

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HB3
	 ) 2.3 0.6 0.5 volume=17979295.000 peak=186 ppm1=2.025 ppm2=2.864

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HB2
	 ) 2.3 0.6 0.5 volume=18551012.000 peak=187 ppm1=2.864 ppm2=2.012

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HG2
	 or resid 8 and name HG3
	 or resid 8 and name HD2
	 or resid 8 and name HD3
	 or resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 3.6 1.8 0.7 volume=1158900.000 peak=188 ppm1=4.182 ppm2=1.612

assign ( resid 8 and name HZ#
	 )
       ( resid 9 and name HD1
	 ) 3.5 1.8 0.7 volume=1425240.000 peak=189 ppm1=7.446 ppm2=7.142

assign ( resid 11 and name HZ3
	 )
       ( resid 2 and name HD1
	 or resid 11 and name HZ2
	 ) 3.0 1.3 0.6 volume=3747949.000 peak=190 ppm1=6.509 ppm2=7.308

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HH2
	 ) 2.5 0.8 0.5 volume=10247969.000 peak=191 ppm1=6.507 ppm2=7.026

assign ( resid 5 and name HB2
	 )
       ( resid 5 and name HG3
	 ) 2.9 1.2 0.6 volume=4319729.000 peak=192 ppm1=1.666 ppm2=2.004

assign ( resid 5 and name HG3
	 )
       ( resid 5 and name HB2
	 ) 2.9 1.2 0.6 volume=4274993.000 peak=193 ppm1=2.018 ppm2=1.688

assign ( resid 5 and name HB3
	 )
       ( resid 5 and name HG3
	 ) 2.8 1.0 0.6 volume=5850085.000 peak=194 ppm1=1.822 ppm2=2.033

assign ( resid 8 and name HG2
	 or resid 8 and name HG3
	 )
       ( resid 8 and name HE2
	 or resid 8 and name HE3
	 ) 3.6 1.8 0.7 volume=1289146.000 peak=195 ppm1=1.543 ppm2=2.925

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HA
	 ) 3.5 1.8 0.7 volume=1404358.000 peak=196 ppm1=1.292 ppm2=4.118

assign ( resid 8 and name HB3
	 or resid 8 and name HB2
	 )
       ( resid 8 and name HA
	 ) 3.4 1.7 0.7 volume=1578056.000 peak=197 ppm1=1.645 ppm2=4.194

assign ( resid 5 and name HG2
	 )
       ( resid 5 and name HB3
	 ) 3.0 1.3 0.6 volume=3494084.000 peak=198 ppm1=2.091 ppm2=1.839

assign ( resid 3 and name HB
	 )
       ( resid 3 and name HA
	 ) 3.2 1.5 0.6 volume=2313211.000 peak=199 ppm1=3.933 ppm2=4.827

assign ( resid 2 and name HD1
	 or resid 2 and name HE3
	 )
       ( resid 2 and name HA
	 ) 2.7 1.0 0.5 volume=6849961.000 peak=200 ppm1=7.310 ppm2=5.114

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HZ3
	 ) 3.6 1.8 0.7 volume=1124331.000 peak=201 ppm1=5.046 ppm2=6.957

assign ( resid 4 and name HZ3
	 )
       ( resid 9 and name HA
	 ) 3.5 1.8 0.7 volume=1381994.000 peak=202 ppm1=6.501 ppm2=5.070

assign ( resid 2 and name HA
	 )
       ( resid 11 and name HA
	 ) 3.6 1.8 0.7 volume=1200439.000 peak=203 ppm1=5.122 ppm2=4.159

# Restraints file 2: dihe.tbl
! W2 phi - good
assign (resid  1  and name c ) (resid  2  and name n ) 
       (resid  2  and name ca) (resid  2  and name c )   1.0  -92.608 16.224 2
! W2 psi - good
assign (resid  2  and name n ) (resid  2  and name ca ) 
       (resid  2  and name c) (resid  3  and name n )   1.0  144.566 13.937 2
! T3 phi - good
assign (resid  2  and name c ) (resid  3  and name n ) 
       (resid  3  and name ca) (resid  3  and name c )   1.0  -115.054 20.782 2
! T3 psi - good
assign (resid  3  and name n ) (resid  3  and name ca ) 
       (resid  3  and name c) (resid  4  and name n )   1.0  140.173 18.565 2
! W4 phi - warn
assign (resid  3  and name c ) (resid  4  and name n ) 
       (resid  4  and name ca) (resid  4  and name c )   1.0  -103.132  16.770    2
! W4 psi - warn
assign (resid  4  and name n ) (resid  4  and name ca ) 
       (resid  4  and name c) (resid  5  and name n )   1.0  131.988   9.920 2
! E5 phi - warn
assign (resid  4  and name c ) (resid  5  and name n ) 
       (resid  5  and name ca) (resid  5  and name c )   1.0  -109.948  29.806   2
! E5 psi - warn
assign (resid  5  and name n ) (resid  5  and name ca ) 
       (resid  5  and name c) (resid  6  and name n )   1.0  129.894   37.709 2
! N6 phi - warn
assign (resid  5  and name c ) (resid  6  and name n ) 
       (resid  6  and name ca) (resid  6  and name c )   1.0  52.876   5.946    2
! N6 psi - warn
assign (resid  6  and name n ) (resid  6  and name ca ) 
       (resid  6  and name c) (resid  7  and name n )   1.0  42.491    3.635 2
! G7 phi - warn
assign (resid  6  and name c ) (resid  7  and name n ) 
       (resid  7  and name ca) (resid  7  and name c )   1.0  75.459    10.593   2
! G7 psi - warn
assign (resid  7  and name n ) (resid  7  and name ca ) 
       (resid  7  and name c) (resid  8  and name n )   1.0  6.360   15.262 2
! K8 phi - good
assign (resid  7  and name c ) (resid  8  and name n ) 
       (resid  8  and name ca) (resid  8  and name c )   1.0  -114.188  19.777    2
! K8 psi - good
assign (resid  8  and name n ) (resid  8  and name ca ) 
       (resid  8  and name c) (resid  9  and name n )   1.0  147.554   6.979 2
! W9 phi - good
assign (resid  8  and name c ) (resid  9  and name n ) 
       (resid  9  and name ca) (resid  9  and name c )   1.0  -86.944  14.762    2
! W9 psi - good
assign (resid  9  and name n ) (resid  9  and name ca ) 
       (resid  9  and name c) (resid  10  and name n )   1.0  138.101   9.499 2
! T10 phi - good
assign (resid  9  and name c ) (resid  10  and name n ) 
       (resid  10  and name ca) (resid  10  and name c )   1.0  -115.960  12.027   2
! T10 psi - good
assign (resid  10  and name n ) (resid  10  and name ca ) 
       (resid  10  and name c) (resid  11  and name n )   1.0    137.658   13.618 2
! W11 phi - good
assign (resid  10  and name c ) (resid  11  and name n ) 
       (resid  11  and name ca) (resid  11  and name c )   1.0  -98.510  16.340   2
! W11 psi - good
assign (resid  11  and name n ) (resid  11  and name ca ) 
       (resid  11  and name c) (resid  12  and name n )   1.0  127.799   24.648 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1   8.403   3.246   4.461
    2    H2   SER   1           HT2      SER   1   7.554   3.977   3.161
    3    H3   SER   1           HT3      SER   1   7.993   2.320   3.078
    4    HA   SER   1           HA       SER   1   6.611   2.006   5.113
    5    HB2  SER   1           HB3      SER   1   6.582   4.659   5.252
    6    HB3  SER   1           HB2      SER   1   5.164   4.465   4.222
    7    HG   SER   1           HG       SER   1   5.402   4.063   6.869
    8    H    TRP   2           H        TRP   2   4.138   1.705   4.758
    9    HA   TRP   2           HA       TRP   2   3.802   0.774   1.998
   10    HB2  TRP   2           HB3      TRP   2   2.817  -0.154   4.645
   11    HB3  TRP   2           HB2      TRP   2   1.742  -0.383   3.271
   12    HD1  TRP   2           HD1      TRP   2   4.985  -1.665   4.764
   13    HE1  TRP   2           HE1      TRP   2   5.812  -3.681   3.394
   14    HE3  TRP   2           HE3      TRP   2   1.676  -1.421   0.869
   15    HZ2  TRP   2           HZ2      TRP   2   5.154  -4.984   0.971
   16    HZ3  TRP   2           HZ3      TRP   2   1.857  -3.047  -0.929
   17    HH2  TRP   2           HH2      TRP   2   3.551  -4.815  -0.886
   18    H    THR   3           H        THR   3   1.746   1.066   0.908
   19    HA   THR   3           HA       THR   3   0.284   3.425   1.932
   20    HB   THR   3           HB       THR   3   0.160   4.380  -0.183
   21    HG1  THR   3           HG1      THR   3  -0.335   3.118  -1.759
   22   HG21  THR   3          HG21      THR   3   2.677   3.187  -1.000
   23   HG22  THR   3          HG22      THR   3   2.681   3.737   0.676
   24   HG23  THR   3          HG23      THR   3   2.281   4.863  -0.622
   25    H    TRP   4           H        TRP   4  -1.741   3.040   2.394
   26    HA   TRP   4           HA       TRP   4  -3.055   0.653   1.352
   27    HB2  TRP   4           HB3      TRP   4  -3.002   1.340   3.838
   28    HB3  TRP   4           HB2      TRP   4  -4.139   2.561   3.383
   29    HD1  TRP   4           HD1      TRP   4  -6.312   1.792   4.404
   30    HE1  TRP   4           HE1      TRP   4  -7.723  -0.373   4.307
   31    HE3  TRP   4           HE3      TRP   4  -3.040  -1.083   1.902
   32    HZ2  TRP   4           HZ2      TRP   4  -7.425  -3.000   3.267
   33    HZ3  TRP   4           HZ3      TRP   4  -3.620  -3.432   1.375
   34    HH2  TRP   4           HH2      TRP   4  -5.776  -4.368   2.054
   35    H    GLU   5           H        GLU   5  -4.418   0.780  -0.327
   36    HA   GLU   5           HA       GLU   5  -5.978   3.229  -0.699
   37    HB2  GLU   5           HB3      GLU   5  -5.511   3.069  -3.181
   38    HB3  GLU   5           HB2      GLU   5  -4.176   3.623  -2.179
   39    HG2  GLU   5           HG3      GLU   5  -2.937   1.754  -2.546
   40    HG3  GLU   5           HG2      GLU   5  -4.351   0.722  -2.759
   41    H    ASN   6           H        ASN   6  -8.024   2.655  -0.694
   42    HA   ASN   6           HA       ASN   6  -9.936   1.431  -0.901
   43    HB2  ASN   6           HB3      ASN   6  -8.928   2.054  -3.380
   44    HB3  ASN   6           HB2      ASN   6  -9.234   0.321  -3.521
   45   HD21  ASN   6          HD21      ASN   6 -10.914   2.899  -1.764
   46   HD22  ASN   6          HD22      ASN   6 -12.450   2.640  -2.508
   47    H    GLY   7           H        GLY   7  -8.173  -0.041   0.610
   48    HA2  GLY   7           HA3      GLY   7  -8.186  -2.192   1.457
   49    HA3  GLY   7           HA2      GLY   7  -9.142  -2.696   0.072
   50    H    LYS   8           H        LYS   8  -6.220  -1.011  -0.653
   51    HA   LYS   8           HA       LYS   8  -4.815  -3.560  -1.055
   52    HB2  LYS   8           HB3      LYS   8  -5.853  -2.912  -3.186
   53    HB3  LYS   8           HB2      LYS   8  -5.037  -1.356  -3.111
   54    HG2  LYS   8           HG3      LYS   8  -3.573  -2.419  -4.458
   55    HG3  LYS   8           HG2      LYS   8  -2.906  -2.947  -2.912
   56    HD2  LYS   8           HD3      LYS   8  -5.070  -4.645  -3.910
   57    HD3  LYS   8           HD2      LYS   8  -3.657  -4.598  -4.965
   58    HE2  LYS   8           HE3      LYS   8  -2.906  -6.230  -3.606
   59    HE3  LYS   8           HE2      LYS   8  -2.462  -4.881  -2.561
   60    HZ1  LYS   8           HZ1      LYS   8  -4.044  -5.403  -1.078
   61    HZ2  LYS   8           HZ2      LYS   8  -3.980  -6.937  -1.788
   62    HZ3  LYS   8           HZ3      LYS   8  -5.179  -5.839  -2.255
   63    H    TRP   9           H        TRP   9  -2.650  -3.538  -0.740
   64    HA   TRP   9           HA       TRP   9  -1.499  -1.087   0.387
   65    HB2  TRP   9           HB3      TRP   9  -0.955  -3.998   0.627
   66    HB3  TRP   9           HB2      TRP   9   0.363  -2.917   0.875
   67    HD1  TRP   9           HD1      TRP   9  -1.926  -4.676   2.775
   68    HE1  TRP   9           HE1      TRP   9  -2.368  -3.596   5.088
   69    HE3  TRP   9           HE3      TRP   9  -0.060  -0.107   1.789
   70    HZ2  TRP   9           HZ2      TRP   9  -1.942  -1.052   6.301
   71    HZ3  TRP   9           HZ3      TRP   9  -0.105   1.618   3.526
   72    HH2  TRP   9           HH2      TRP   9  -1.006   1.155   5.741
   73    H    THR  10           H        THR  10   0.275  -0.088  -0.475
   74    HA   THR  10           HA       THR  10   1.475  -1.291  -2.876
   75    HB   THR  10           HB       THR  10   1.466   1.634  -2.887
   76    HG1  THR  10           HG1      THR  10  -1.007   0.274  -3.163
   77   HG21  THR  10          HG21      THR  10   0.122   0.649  -5.118
   78   HG22  THR  10          HG22      THR  10   1.381  -0.533  -4.760
   79   HG23  THR  10          HG23      THR  10   1.807   1.160  -5.015
   80    H    TRP  11           H        TRP  11   3.592  -1.526  -2.706
   81    HA   TRP  11           HA       TRP  11   4.988  -0.273  -0.493
   82    HB2  TRP  11           HB3      TRP  11   5.331  -2.649  -0.872
   83    HB3  TRP  11           HB2      TRP  11   5.890  -2.335  -2.512
   84    HD1  TRP  11           HD1      TRP  11   8.430  -2.518  -2.680
   85    HE1  TRP  11           HE1      TRP  11  10.430  -2.020  -1.137
   86    HE3  TRP  11           HE3      TRP  11   5.889  -0.821   1.413
   87    HZ2  TRP  11           HZ2      TRP  11  10.870  -1.033   1.473
   88    HZ3  TRP  11           HZ3      TRP  11   7.169  -0.118   3.389
   89    HH2  TRP  11           HH2      TRP  11   9.609  -0.222   3.420
   90    H    LYS  12           H        LYS  12   6.901   0.937  -0.695
   91    HA   LYS  12           HA       LYS  12   8.166   1.666  -3.059
   92    HB2  LYS  12           HB3      LYS  12   7.262   4.053  -3.226
   93    HB3  LYS  12           HB2      LYS  12   6.252   2.767  -3.872
   94    HG2  LYS  12           HG3      LYS  12   5.180   2.825  -1.483
   95    HG3  LYS  12           HG2      LYS  12   5.861   4.453  -1.452
   96    HD2  LYS  12           HD3      LYS  12   3.661   4.689  -2.279
   97    HD3  LYS  12           HD2      LYS  12   4.721   4.825  -3.684
   98    HE2  LYS  12           HE3      LYS  12   3.850   2.092  -3.082
   99    HE3  LYS  12           HE2      LYS  12   2.542   3.193  -3.511
  100    HZ1  LYS  12           HZ1      LYS  12   3.136   2.576  -5.580
  101    HZ2  LYS  12           HZ2      LYS  12   4.720   2.174  -5.145
  102    HZ3  LYS  12           HZ3      LYS  12   4.300   3.792  -5.399
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1   7.701   3.316   2.739
    2    H2   SER   1           HT2      SER   1   8.201   1.853   3.485
    3    H3   SER   1           HT3      SER   1   8.402   3.349   4.302
    4    HA   SER   1           HA       SER   1   6.550   2.023   5.116
    5    HB2  SER   1           HB3      SER   1   4.931   3.967   4.971
    6    HB3  SER   1           HB2      SER   1   6.558   4.390   5.505
    7    HG   SER   1           HG       SER   1   5.368   5.618   3.682
    8    H    TRP   2           H        TRP   2   4.141   1.768   4.720
    9    HA   TRP   2           HA       TRP   2   3.762   0.727   2.000
   10    HB2  TRP   2           HB3      TRP   2   2.803  -0.113   4.689
   11    HB3  TRP   2           HB2      TRP   2   1.712  -0.372   3.333
   12    HD1  TRP   2           HD1      TRP   2   4.921  -1.672   4.860
   13    HE1  TRP   2           HE1      TRP   2   5.732  -3.722   3.531
   14    HE3  TRP   2           HE3      TRP   2   1.663  -1.437   0.922
   15    HZ2  TRP   2           HZ2      TRP   2   5.084  -5.052   1.120
   16    HZ3  TRP   2           HZ3      TRP   2   1.839  -3.093  -0.849
   17    HH2  TRP   2           HH2      TRP   2   3.505  -4.887  -0.758
   18    H    THR   3           H        THR   3   1.735   1.055   0.907
   19    HA   THR   3           HA       THR   3   0.287   3.429   1.914
   20    HB   THR   3           HB       THR   3   0.159   4.361  -0.217
   21    HG1  THR   3           HG1      THR   3  -0.367   3.013  -1.723
   22   HG21  THR   3          HG21      THR   3   2.714   3.155  -0.942
   23   HG22  THR   3          HG22      THR   3   2.661   3.811   0.694
   24   HG23  THR   3          HG23      THR   3   2.281   4.845  -0.683
   25    H    TRP   4           H        TRP   4  -1.742   3.062   2.373
   26    HA   TRP   4           HA       TRP   4  -3.070   0.676   1.349
   27    HB2  TRP   4           HB3      TRP   4  -3.023   1.395   3.826
   28    HB3  TRP   4           HB2      TRP   4  -4.152   2.615   3.349
   29    HD1  TRP   4           HD1      TRP   4  -6.331   1.868   4.376
   30    HE1  TRP   4           HE1      TRP   4  -7.754  -0.291   4.298
   31    HE3  TRP   4           HE3      TRP   4  -3.068  -1.050   1.914
   32    HZ2  TRP   4           HZ2      TRP   4  -7.466  -2.931   3.287
   33    HZ3  TRP   4           HZ3      TRP   4  -3.658  -3.402   1.409
   34    HH2  TRP   4           HH2      TRP   4  -5.821  -4.319   2.093
   35    H    GLU   5           H        GLU   5  -4.422   0.792  -0.339
   36    HA   GLU   5           HA       GLU   5  -5.964   3.247  -0.748
   37    HB2  GLU   5           HB3      GLU   5  -3.978   2.061  -2.618
   38    HB3  GLU   5           HB2      GLU   5  -5.449   2.732  -3.308
   39    HG2  GLU   5           HG3      GLU   5  -4.130   4.457  -1.344
   40    HG3  GLU   5           HG2      GLU   5  -3.185   4.134  -2.797
   41    H    ASN   6           H        ASN   6  -8.012   2.681  -0.737
   42    HA   ASN   6           HA       ASN   6  -9.930   1.466  -0.937
   43    HB2  ASN   6           HB3      ASN   6  -8.806   1.959  -3.458
   44    HB3  ASN   6           HB2      ASN   6  -9.382   0.291  -3.521
   45   HD21  ASN   6          HD21      ASN   6 -11.540   0.579  -1.724
   46   HD22  ASN   6          HD22      ASN   6 -12.746   1.545  -2.492
   47    H    GLY   7           H        GLY   7  -8.178  -0.001   0.588
   48    HA2  GLY   7           HA3      GLY   7  -8.207  -2.144   1.456
   49    HA3  GLY   7           HA2      GLY   7  -9.160  -2.656   0.070
   50    H    LYS   8           H        LYS   8  -6.225  -0.991  -0.653
   51    HA   LYS   8           HA       LYS   8  -4.831  -3.552  -1.028
   52    HB2  LYS   8           HB3      LYS   8  -5.851  -2.919  -3.169
   53    HB3  LYS   8           HB2      LYS   8  -5.035  -1.363  -3.101
   54    HG2  LYS   8           HG3      LYS   8  -3.616  -2.491  -4.474
   55    HG3  LYS   8           HG2      LYS   8  -2.889  -2.878  -2.913
   56    HD2  LYS   8           HD3      LYS   8  -5.007  -4.728  -3.708
   57    HD3  LYS   8           HD2      LYS   8  -3.641  -4.700  -4.824
   58    HE2  LYS   8           HE3      LYS   8  -2.727  -6.173  -3.398
   59    HE3  LYS   8           HE2      LYS   8  -2.368  -4.748  -2.424
   60    HZ1  LYS   8           HZ1      LYS   8  -3.891  -5.308  -0.895
   61    HZ2  LYS   8           HZ2      LYS   8  -3.725  -6.866  -1.532
   62    HZ3  LYS   8           HZ3      LYS   8  -5.006  -5.880  -2.032
   63    H    TRP   9           H        TRP   9  -2.668  -3.539  -0.699
   64    HA   TRP   9           HA       TRP   9  -1.509  -1.082   0.408
   65    HB2  TRP   9           HB3      TRP   9  -0.990  -3.994   0.691
   66    HB3  TRP   9           HB2      TRP   9   0.335  -2.920   0.935
   67    HD1  TRP   9           HD1      TRP   9  -1.980  -4.637   2.840
   68    HE1  TRP   9           HE1      TRP   9  -2.431  -3.524   5.136
   69    HE3  TRP   9           HE3      TRP   9  -0.076  -0.093   1.808
   70    HZ2  TRP   9           HZ2      TRP   9  -1.996  -0.968   6.318
   71    HZ3  TRP   9           HZ3      TRP   9  -0.122   1.655   3.522
   72    HH2  TRP   9           HH2      TRP   9  -1.042   1.226   5.736
   73    H    THR  10           H        THR  10   0.286  -0.112  -0.446
   74    HA   THR  10           HA       THR  10   1.497  -1.355  -2.820
   75    HB   THR  10           HB       THR  10   1.519   1.569  -2.870
   76    HG1  THR  10           HG1      THR  10  -0.675   1.763  -3.404
   77   HG21  THR  10          HG21      THR  10   1.881   1.054  -4.986
   78   HG22  THR  10          HG22      THR  10   0.186   0.580  -5.100
   79   HG23  THR  10          HG23      THR  10   1.415  -0.625  -4.715
   80    H    TRP  11           H        TRP  11   3.610  -1.611  -2.626
   81    HA   TRP  11           HA       TRP  11   4.995  -0.350  -0.411
   82    HB2  TRP  11           HB3      TRP  11   5.315  -2.735  -0.769
   83    HB3  TRP  11           HB2      TRP  11   5.903  -2.436  -2.402
   84    HD1  TRP  11           HD1      TRP  11   8.443  -2.656  -2.524
   85    HE1  TRP  11           HE1      TRP  11  10.424  -2.162  -0.955
   86    HE3  TRP  11           HE3      TRP  11   5.857  -0.881   1.508
   87    HZ2  TRP  11           HZ2      TRP  11  10.833  -1.150   1.650
   88    HZ3  TRP  11           HZ3      TRP  11   7.113  -0.170   3.495
   89    HH2  TRP  11           HH2      TRP  11   9.551  -0.301   3.567
   90    H    LYS  12           H        LYS  12   6.968   0.790  -0.617
   91    HA   LYS  12           HA       LYS  12   8.182   1.514  -3.027
   92    HB2  LYS  12           HB3      LYS  12   5.794   3.053  -2.342
   93    HB3  LYS  12           HB2      LYS  12   7.216   4.065  -2.558
   94    HG2  LYS  12           HG3      LYS  12   7.312   3.691  -4.775
   95    HG3  LYS  12           HG2      LYS  12   6.785   2.014  -4.625
   96    HD2  LYS  12           HD3      LYS  12   4.498   3.122  -3.969
   97    HD3  LYS  12           HD2      LYS  12   5.161   4.508  -4.838
   98    HE2  LYS  12           HE3      LYS  12   5.540   3.059  -6.798
   99    HE3  LYS  12           HE2      LYS  12   4.802   1.716  -5.925
  100    HZ1  LYS  12           HZ1      LYS  12   3.553   4.048  -7.148
  101    HZ2  LYS  12           HZ2      LYS  12   2.880   3.508  -5.693
  102    HZ3  LYS  12           HZ3      LYS  12   2.986   2.459  -7.016
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1   7.467   3.959   2.830
    2    H2   SER   1           HT2      SER   1   8.038   2.345   2.712
    3    H3   SER   1           HT3      SER   1   8.461   3.310   4.067
    4    HA   SER   1           HA       SER   1   6.828   1.899   4.817
    5    HB2  SER   1           HB3      SER   1   6.625   4.406   5.261
    6    HB3  SER   1           HB2      SER   1   5.351   4.418   4.042
    7    HG   SER   1           HG       SER   1   5.320   2.683   6.279
    8    H    TRP   2           H        TRP   2   4.163   1.840   4.566
    9    HA   TRP   2           HA       TRP   2   3.767   0.720   1.875
   10    HB2  TRP   2           HB3      TRP   2   2.882  -0.116   4.586
   11    HB3  TRP   2           HB2      TRP   2   1.748  -0.377   3.268
   12    HD1  TRP   2           HD1      TRP   2   4.942  -1.728   4.742
   13    HE1  TRP   2           HE1      TRP   2   5.727  -3.769   3.384
   14    HE3  TRP   2           HE3      TRP   2   1.702  -1.383   0.796
   15    HZ2  TRP   2           HZ2      TRP   2   5.068  -5.051   0.951
   16    HZ3  TRP   2           HZ3      TRP   2   1.860  -3.017  -1.001
   17    HH2  TRP   2           HH2      TRP   2   3.499  -4.835  -0.930
   18    H    THR   3           H        THR   3   1.795   1.096   0.764
   19    HA   THR   3           HA       THR   3   0.325   3.453   1.776
   20    HB   THR   3           HB       THR   3   0.719   2.681  -1.118
   21    HG1  THR   3           HG1      THR   3   2.191   4.455  -1.118
   22   HG21  THR   3          HG21      THR   3   0.218   5.463  -0.587
   23   HG22  THR   3          HG22      THR   3  -1.095   4.450   0.014
   24   HG23  THR   3          HG23      THR   3  -0.611   4.354  -1.679
   25    H    TRP   4           H        TRP   4  -1.702   3.083   2.297
   26    HA   TRP   4           HA       TRP   4  -3.041   0.679   1.315
   27    HB2  TRP   4           HB3      TRP   4  -2.933   1.391   3.796
   28    HB3  TRP   4           HB2      TRP   4  -4.088   2.600   3.352
   29    HD1  TRP   4           HD1      TRP   4  -6.227   1.824   4.440
   30    HE1  TRP   4           HE1      TRP   4  -7.632  -0.346   4.386
   31    HE3  TRP   4           HE3      TRP   4  -3.009  -1.051   1.864
   32    HZ2  TRP   4           HZ2      TRP   4  -7.352  -2.976   3.349
   33    HZ3  TRP   4           HZ3      TRP   4  -3.597  -3.403   1.359
   34    HH2  TRP   4           HH2      TRP   4  -5.732  -4.342   2.097
   35    H    GLU   5           H        GLU   5  -4.437   0.796  -0.335
   36    HA   GLU   5           HA       GLU   5  -6.002   3.243  -0.693
   37    HB2  GLU   5           HB3      GLU   5  -4.350   1.914  -2.841
   38    HB3  GLU   5           HB2      GLU   5  -5.582   3.128  -3.160
   39    HG2  GLU   5           HG3      GLU   5  -3.654   3.970  -1.153
   40    HG3  GLU   5           HG2      GLU   5  -2.917   3.600  -2.711
   41    H    ASN   6           H        ASN   6  -8.045   2.655  -0.616
   42    HA   ASN   6           HA       ASN   6  -9.955   1.420  -0.766
   43    HB2  ASN   6           HB3      ASN   6  -9.036   2.074  -3.271
   44    HB3  ASN   6           HB2      ASN   6  -9.339   0.340  -3.419
   45   HD21  ASN   6          HD21      ASN   6 -10.968   2.894  -1.580
   46   HD22  ASN   6          HD22      ASN   6 -12.527   2.635  -2.274
   47    H    GLY   7           H        GLY   7  -8.134  -0.058   0.668
   48    HA2  GLY   7           HA3      GLY   7  -8.129  -2.221   1.495
   49    HA3  GLY   7           HA2      GLY   7  -9.101  -2.717   0.117
   50    H    LYS   8           H        LYS   8  -6.198  -0.995  -0.613
   51    HA   LYS   8           HA       LYS   8  -4.781  -3.528  -1.079
   52    HB2  LYS   8           HB3      LYS   8  -5.839  -2.849  -3.187
   53    HB3  LYS   8           HB2      LYS   8  -5.043  -1.285  -3.087
   54    HG2  LYS   8           HG3      LYS   8  -3.804  -2.586  -4.618
   55    HG3  LYS   8           HG2      LYS   8  -2.852  -2.513  -3.134
   56    HD2  LYS   8           HD3      LYS   8  -4.318  -4.746  -2.687
   57    HD3  LYS   8           HD2      LYS   8  -4.151  -4.808  -4.443
   58    HE2  LYS   8           HE3      LYS   8  -1.931  -5.210  -4.349
   59    HE3  LYS   8           HE2      LYS   8  -1.695  -4.163  -2.950
   60    HZ1  LYS   8           HZ1      LYS   8  -2.400  -5.857  -1.498
   61    HZ2  LYS   8           HZ2      LYS   8  -1.330  -6.604  -2.573
   62    HZ3  LYS   8           HZ3      LYS   8  -2.998  -6.816  -2.757
   63    H    TRP   9           H        TRP   9  -2.610  -3.495  -0.779
   64    HA   TRP   9           HA       TRP   9  -1.482  -1.056   0.388
   65    HB2  TRP   9           HB3      TRP   9  -0.925  -3.960   0.588
   66    HB3  TRP   9           HB2      TRP   9   0.396  -2.881   0.838
   67    HD1  TRP   9           HD1      TRP   9  -1.884  -4.649   2.738
   68    HE1  TRP   9           HE1      TRP   9  -2.319  -3.582   5.058
   69    HE3  TRP   9           HE3      TRP   9  -0.029  -0.070   1.767
   70    HZ2  TRP   9           HZ2      TRP   9  -1.893  -1.044   6.282
   71    HZ3  TRP   9           HZ3      TRP   9  -0.070   1.645   3.514
   72    HH2  TRP   9           HH2      TRP   9  -0.963   1.168   5.729
   73    H    THR  10           H        THR  10   0.368  -0.087  -0.372
   74    HA   THR  10           HA       THR  10   1.500  -1.142  -2.873
   75    HB   THR  10           HB       THR  10   1.660   1.746  -2.742
   76    HG1  THR  10           HG1      THR  10  -0.584   2.106  -3.063
   77   HG21  THR  10          HG21      THR  10   1.175  -0.311  -4.676
   78   HG22  THR  10          HG22      THR  10   1.727   1.348  -4.911
   79   HG23  THR  10          HG23      THR  10  -0.000   0.993  -4.849
   80    H    TRP  11           H        TRP  11   3.617  -1.456  -2.756
   81    HA   TRP  11           HA       TRP  11   5.083  -0.347  -0.498
   82    HB2  TRP  11           HB3      TRP  11   5.317  -2.731  -0.915
   83    HB3  TRP  11           HB2      TRP  11   5.867  -2.418  -2.559
   84    HD1  TRP  11           HD1      TRP  11   8.391  -2.726  -2.761
   85    HE1  TRP  11           HE1      TRP  11  10.434  -2.338  -1.245
   86    HE3  TRP  11           HE3      TRP  11   5.995  -0.945   1.387
   87    HZ2  TRP  11           HZ2      TRP  11  10.960  -1.398   1.366
   88    HZ3  TRP  11           HZ3      TRP  11   7.339  -0.322   3.349
   89    HH2  TRP  11           HH2      TRP  11   9.771  -0.545   3.339
   90    H    LYS  12           H        LYS  12   7.075   0.751  -0.717
   91    HA   LYS  12           HA       LYS  12   8.311   1.467  -3.105
   92    HB2  LYS  12           HB3      LYS  12   7.559   3.909  -3.166
   93    HB3  LYS  12           HB2      LYS  12   6.442   2.713  -3.809
   94    HG2  LYS  12           HG3      LYS  12   5.430   2.754  -1.418
   95    HG3  LYS  12           HG2      LYS  12   6.268   4.302  -1.289
   96    HD2  LYS  12           HD3      LYS  12   4.695   3.883  -3.751
   97    HD3  LYS  12           HD2      LYS  12   3.768   4.030  -2.256
   98    HE2  LYS  12           HE3      LYS  12   3.916   6.237  -2.667
   99    HE3  LYS  12           HE2      LYS  12   5.523   6.067  -1.962
  100    HZ1  LYS  12           HZ1      LYS  12   5.638   7.253  -4.042
  101    HZ2  LYS  12           HZ2      LYS  12   4.868   5.987  -4.858
  102    HZ3  LYS  12           HZ3      LYS  12   6.411   5.756  -4.205
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1   7.395   3.646   2.609
    2    H2   SER   1           HT2      SER   1   8.310   2.329   3.220
    3    H3   SER   1           HT3      SER   1   8.198   3.789   4.116
    4    HA   SER   1           HA       SER   1   6.812   1.889   4.883
    5    HB2  SER   1           HB3      SER   1   5.348   4.433   4.147
    6    HB3  SER   1           HB2      SER   1   5.064   3.399   5.547
    7    HG   SER   1           HG       SER   1   6.446   5.454   5.688
    8    H    TRP   2           H        TRP   2   4.136   1.832   4.588
    9    HA   TRP   2           HA       TRP   2   3.800   0.740   1.877
   10    HB2  TRP   2           HB3      TRP   2   2.876  -0.138   4.560
   11    HB3  TRP   2           HB2      TRP   2   1.760  -0.383   3.223
   12    HD1  TRP   2           HD1      TRP   2   4.977  -1.714   4.689
   13    HE1  TRP   2           HE1      TRP   2   5.772  -3.743   3.318
   14    HE3  TRP   2           HE3      TRP   2   1.696  -1.394   0.775
   15    HZ2  TRP   2           HZ2      TRP   2   5.104  -5.024   0.887
   16    HZ3  TRP   2           HZ3      TRP   2   1.856  -3.021  -1.028
   17    HH2  TRP   2           HH2      TRP   2   3.516  -4.821  -0.978
   18    H    THR   3           H        THR   3   1.812   1.084   0.757
   19    HA   THR   3           HA       THR   3   0.343   3.453   1.742
   20    HB   THR   3           HB       THR   3   0.424   2.744  -1.162
   21    HG1  THR   3           HG1      THR   3   2.441   3.239  -1.341
   22   HG21  THR   3          HG21      THR   3   0.372   5.174  -1.447
   23   HG22  THR   3          HG22      THR   3   0.345   5.368   0.306
   24   HG23  THR   3          HG23      THR   3  -1.002   4.581  -0.516
   25    H    TRP   4           H        TRP   4  -1.687   3.088   2.271
   26    HA   TRP   4           HA       TRP   4  -3.028   0.677   1.308
   27    HB2  TRP   4           HB3      TRP   4  -2.916   1.397   3.785
   28    HB3  TRP   4           HB2      TRP   4  -4.068   2.609   3.338
   29    HD1  TRP   4           HD1      TRP   4  -6.210   1.845   4.426
   30    HE1  TRP   4           HE1      TRP   4  -7.621  -0.321   4.384
   31    HE3  TRP   4           HE3      TRP   4  -2.998  -1.054   1.871
   32    HZ2  TRP   4           HZ2      TRP   4  -7.347  -2.958   3.363
   33    HZ3  TRP   4           HZ3      TRP   4  -3.591  -3.408   1.380
   34    HH2  TRP   4           HH2      TRP   4  -5.729  -4.337   2.122
   35    H    GLU   5           H        GLU   5  -4.427   0.787  -0.340
   36    HA   GLU   5           HA       GLU   5  -5.992   3.234  -0.706
   37    HB2  GLU   5           HB3      GLU   5  -3.833   3.009  -2.198
   38    HB3  GLU   5           HB2      GLU   5  -4.851   1.923  -3.135
   39    HG2  GLU   5           HG3      GLU   5  -6.352   3.620  -3.693
   40    HG3  GLU   5           HG2      GLU   5  -5.766   4.681  -2.414
   41    H    ASN   6           H        ASN   6  -8.036   2.653  -0.635
   42    HA   ASN   6           HA       ASN   6  -9.949   1.422  -0.778
   43    HB2  ASN   6           HB3      ASN   6  -8.700   1.510  -3.445
   44    HB3  ASN   6           HB2      ASN   6  -9.960   0.287  -3.252
   45   HD21  ASN   6          HD21      ASN   6 -11.722   1.451  -1.597
   46   HD22  ASN   6          HD22      ASN   6 -12.387   2.874  -2.313
   47    H    GLY   7           H        GLY   7  -8.136  -0.046   0.674
   48    HA2  GLY   7           HA3      GLY   7  -8.129  -2.201   1.521
   49    HA3  GLY   7           HA2      GLY   7  -9.109  -2.708   0.153
   50    H    LYS   8           H        LYS   8  -6.203  -1.003  -0.605
   51    HA   LYS   8           HA       LYS   8  -4.796  -3.544  -1.053
   52    HB2  LYS   8           HB3      LYS   8  -5.859  -2.885  -3.164
   53    HB3  LYS   8           HB2      LYS   8  -5.061  -1.320  -3.082
   54    HG2  LYS   8           HG3      LYS   8  -3.526  -2.281  -4.390
   55    HG3  LYS   8           HG2      LYS   8  -2.938  -2.997  -2.888
   56    HD2  LYS   8           HD3      LYS   8  -5.085  -4.353  -4.475
   57    HD3  LYS   8           HD2      LYS   8  -3.390  -4.527  -4.935
   58    HE2  LYS   8           HE3      LYS   8  -4.502  -5.142  -2.200
   59    HE3  LYS   8           HE2      LYS   8  -4.210  -6.343  -3.456
   60    HZ1  LYS   8           HZ1      LYS   8  -2.421  -5.524  -1.570
   61    HZ2  LYS   8           HZ2      LYS   8  -1.917  -4.705  -2.961
   62    HZ3  LYS   8           HZ3      LYS   8  -2.053  -6.391  -2.976
   63    H    TRP   9           H        TRP   9  -2.624  -3.515  -0.764
   64    HA   TRP   9           HA       TRP   9  -1.486  -1.072   0.383
   65    HB2  TRP   9           HB3      TRP   9  -0.927  -3.976   0.591
   66    HB3  TRP   9           HB2      TRP   9   0.394  -2.896   0.830
   67    HD1  TRP   9           HD1      TRP   9  -1.877  -4.657   2.747
   68    HE1  TRP   9           HE1      TRP   9  -2.299  -3.582   5.066
   69    HE3  TRP   9           HE3      TRP   9  -0.023  -0.084   1.754
   70    HZ2  TRP   9           HZ2      TRP   9  -1.865  -1.041   6.280
   71    HZ3  TRP   9           HZ3      TRP   9  -0.054   1.638   3.495
   72    HH2  TRP   9           HH2      TRP   9  -0.937   1.168   5.716
   73    H    THR  10           H        THR  10   0.331  -0.087  -0.406
   74    HA   THR  10           HA       THR  10   1.477  -1.161  -2.892
   75    HB   THR  10           HB       THR  10   1.566   1.744  -2.759
   76    HG1  THR  10           HG1      THR  10  -1.000   0.565  -2.992
   77   HG21  THR  10          HG21      THR  10   1.739   1.354  -4.925
   78   HG22  THR  10          HG22      THR  10   0.025   0.938  -4.935
   79   HG23  THR  10          HG23      THR  10   1.238  -0.325  -4.717
   80    H    TRP  11           H        TRP  11   3.598  -1.445  -2.765
   81    HA   TRP  11           HA       TRP  11   5.039  -0.305  -0.512
   82    HB2  TRP  11           HB3      TRP  11   5.341  -2.674  -0.929
   83    HB3  TRP  11           HB2      TRP  11   5.859  -2.352  -2.581
   84    HD1  TRP  11           HD1      TRP  11   8.390  -2.553  -2.835
   85    HE1  TRP  11           HE1      TRP  11  10.443  -2.123  -1.344
   86    HE3  TRP  11           HE3      TRP  11   6.003  -0.922   1.378
   87    HZ2  TRP  11           HZ2      TRP  11  10.979  -1.208   1.274
   88    HZ3  TRP  11           HZ3      TRP  11   7.356  -0.285   3.329
   89    HH2  TRP  11           HH2      TRP  11   9.793  -0.427   3.279
   90    H    LYS  12           H        LYS  12   7.030   0.812  -0.728
   91    HA   LYS  12           HA       LYS  12   8.089   1.634  -3.218
   92    HB2  LYS  12           HB3      LYS  12   6.003   3.331  -1.982
   93    HB3  LYS  12           HB2      LYS  12   7.446   4.170  -2.533
   94    HG2  LYS  12           HG3      LYS  12   6.722   4.110  -4.620
   95    HG3  LYS  12           HG2      LYS  12   6.618   2.349  -4.562
   96    HD2  LYS  12           HD3      LYS  12   4.386   2.370  -4.273
   97    HD3  LYS  12           HD2      LYS  12   4.445   3.747  -3.170
   98    HE2  LYS  12           HE3      LYS  12   3.480   4.855  -4.870
   99    HE3  LYS  12           HE2      LYS  12   5.119   4.931  -5.514
  100    HZ1  LYS  12           HZ1      LYS  12   3.111   2.844  -6.175
  101    HZ2  LYS  12           HZ2      LYS  12   4.673   2.954  -6.814
  102    HZ3  LYS  12           HZ3      LYS  12   3.530   4.149  -7.166
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1   8.097   3.799   4.854
    2    H2   SER   1           HT2      SER   1   7.374   3.868   3.299
    3    H3   SER   1           HT3      SER   1   8.181   2.442   3.810
    4    HA   SER   1           HA       SER   1   6.573   1.987   5.411
    5    HB2  SER   1           HB3      SER   1   5.029   4.441   4.625
    6    HB3  SER   1           HB2      SER   1   4.948   3.507   6.119
    7    HG   SER   1           HG       SER   1   6.234   4.989   6.863
    8    H    TRP   2           H        TRP   2   4.031   1.734   4.933
    9    HA   TRP   2           HA       TRP   2   3.893   0.823   2.147
   10    HB2  TRP   2           HB3      TRP   2   2.786  -0.182   4.711
   11    HB3  TRP   2           HB2      TRP   2   1.771  -0.379   3.286
   12    HD1  TRP   2           HD1      TRP   2   5.071  -1.574   4.789
   13    HE1  TRP   2           HE1      TRP   2   5.933  -3.576   3.421
   14    HE3  TRP   2           HE3      TRP   2   1.662  -1.487   0.974
   15    HZ2  TRP   2           HZ2      TRP   2   5.261  -4.929   1.029
   16    HZ3  TRP   2           HZ3      TRP   2   1.855  -3.125  -0.808
   17    HH2  TRP   2           HH2      TRP   2   3.608  -4.836  -0.789
   18    H    THR   3           H        THR   3   1.814   1.021   0.998
   19    HA   THR   3           HA       THR   3   0.337   3.412   1.923
   20    HB   THR   3           HB       THR   3   0.229   2.978  -0.957
   21    HG1  THR   3           HG1      THR   3   2.743   3.657   0.158
   22   HG21  THR   3          HG21      THR   3   0.431   5.253  -1.112
   23   HG22  THR   3          HG22      THR   3   1.420   5.375   0.343
   24   HG23  THR   3          HG23      THR   3  -0.312   5.074   0.477
   25    H    TRP   4           H        TRP   4  -1.693   3.051   2.362
   26    HA   TRP   4           HA       TRP   4  -3.013   0.648   1.354
   27    HB2  TRP   4           HB3      TRP   4  -2.966   1.357   3.830
   28    HB3  TRP   4           HB2      TRP   4  -4.082   2.592   3.360
   29    HD1  TRP   4           HD1      TRP   4  -6.267   1.867   4.388
   30    HE1  TRP   4           HE1      TRP   4  -7.714  -0.275   4.309
   31    HE3  TRP   4           HE3      TRP   4  -3.042  -1.082   1.912
   32    HZ2  TRP   4           HZ2      TRP   4  -7.458  -2.916   3.293
   33    HZ3  TRP   4           HZ3      TRP   4  -3.661  -3.426   1.405
   34    HH2  TRP   4           HH2      TRP   4  -5.832  -4.321   2.091
   35    H    GLU   5           H        GLU   5  -4.366   0.772  -0.338
   36    HA   GLU   5           HA       GLU   5  -5.901   3.234  -0.738
   37    HB2  GLU   5           HB3      GLU   5  -3.693   2.950  -2.179
   38    HB3  GLU   5           HB2      GLU   5  -4.745   1.938  -3.159
   39    HG2  GLU   5           HG3      GLU   5  -4.957   3.993  -4.167
   40    HG3  GLU   5           HG2      GLU   5  -6.355   3.957  -3.093
   41    H    ASN   6           H        ASN   6  -7.954   2.686  -0.749
   42    HA   ASN   6           HA       ASN   6  -9.876   1.477  -0.951
   43    HB2  ASN   6           HB3      ASN   6  -8.853   2.076  -3.430
   44    HB3  ASN   6           HB2      ASN   6  -9.174   0.344  -3.561
   45   HD21  ASN   6          HD21      ASN   6 -10.838   2.948  -1.828
   46   HD22  ASN   6          HD22      ASN   6 -12.373   2.698  -2.576
   47    H    GLY   7           H        GLY   7  -8.132   0.001   0.575
   48    HA2  GLY   7           HA3      GLY   7  -8.159  -2.145   1.436
   49    HA3  GLY   7           HA2      GLY   7  -9.120  -2.651   0.054
   50    H    LYS   8           H        LYS   8  -6.165  -0.988  -0.631
   51    HA   LYS   8           HA       LYS   8  -4.798  -3.554  -1.073
   52    HB2  LYS   8           HB3      LYS   8  -5.937  -2.171  -3.122
   53    HB3  LYS   8           HB2      LYS   8  -4.318  -1.487  -3.120
   54    HG2  LYS   8           HG3      LYS   8  -4.925  -4.432  -3.265
   55    HG3  LYS   8           HG2      LYS   8  -4.591  -3.401  -4.656
   56    HD2  LYS   8           HD3      LYS   8  -2.421  -3.775  -4.366
   57    HD3  LYS   8           HD2      LYS   8  -2.514  -2.948  -2.812
   58    HE2  LYS   8           HE3      LYS   8  -3.231  -5.132  -1.804
   59    HE3  LYS   8           HE2      LYS   8  -2.866  -5.891  -3.353
   60    HZ1  LYS   8           HZ1      LYS   8  -0.894  -4.348  -1.758
   61    HZ2  LYS   8           HZ2      LYS   8  -0.587  -5.272  -3.141
   62    HZ3  LYS   8           HZ3      LYS   8  -1.045  -6.033  -1.702
   63    H    TRP   9           H        TRP   9  -2.639  -3.574  -0.712
   64    HA   TRP   9           HA       TRP   9  -1.449  -1.138   0.416
   65    HB2  TRP   9           HB3      TRP   9  -0.977  -4.059   0.713
   66    HB3  TRP   9           HB2      TRP   9   0.357  -2.999   0.972
   67    HD1  TRP   9           HD1      TRP   9  -2.010  -4.685   2.844
   68    HE1  TRP   9           HE1      TRP   9  -2.473  -3.567   5.135
   69    HE3  TRP   9           HE3      TRP   9  -0.024  -0.169   1.841
   70    HZ2  TRP   9           HZ2      TRP   9  -2.015  -1.018   6.326
   71    HZ3  TRP   9           HZ3      TRP   9  -0.066   1.577   3.556
   72    HH2  TRP   9           HH2      TRP   9  -1.020   1.161   5.757
   73    H    THR  10           H        THR  10   0.097  -0.056  -0.670
   74    HA   THR  10           HA       THR  10   1.418  -1.435  -2.912
   75    HB   THR  10           HB       THR  10   1.616   0.986  -3.851
   76    HG1  THR  10           HG1      THR  10  -0.056   2.333  -3.205
   77   HG21  THR  10          HG21      THR  10   0.319  -0.191  -5.260
   78   HG22  THR  10          HG22      THR  10  -0.963   0.780  -4.537
   79   HG23  THR  10          HG23      THR  10  -0.672  -0.864  -3.965
   80    H    TRP  11           H        TRP  11   3.532  -1.605  -2.710
   81    HA   TRP  11           HA       TRP  11   4.880  -0.219  -0.560
   82    HB2  TRP  11           HB3      TRP  11   5.316  -2.584  -0.871
   83    HB3  TRP  11           HB2      TRP  11   5.850  -2.301  -2.526
   84    HD1  TRP  11           HD1      TRP  11   8.395  -2.357  -2.728
   85    HE1  TRP  11           HE1      TRP  11  10.388  -1.755  -1.214
   86    HE3  TRP  11           HE3      TRP  11   5.826  -0.723   1.371
   87    HZ2  TRP  11           HZ2      TRP  11  10.811  -0.718   1.381
   88    HZ3  TRP  11           HZ3      TRP  11   7.093   0.058   3.323
   89    HH2  TRP  11           HH2      TRP  11   9.535   0.061   3.332
   90    H    LYS  12           H        LYS  12   6.794   1.007  -0.793
   91    HA   LYS  12           HA       LYS  12   7.862   1.782  -3.292
   92    HB2  LYS  12           HB3      LYS  12   5.610   3.367  -2.228
   93    HB3  LYS  12           HB2      LYS  12   7.013   4.302  -2.726
   94    HG2  LYS  12           HG3      LYS  12   6.485   4.079  -4.864
   95    HG3  LYS  12           HG2      LYS  12   6.378   2.324  -4.712
   96    HD2  LYS  12           HD3      LYS  12   4.223   2.820  -5.321
   97    HD3  LYS  12           HD2      LYS  12   4.079   2.895  -3.564
   98    HE2  LYS  12           HE3      LYS  12   4.375   5.325  -3.648
   99    HE3  LYS  12           HE2      LYS  12   4.510   5.246  -5.404
  100    HZ1  LYS  12           HZ1      LYS  12   2.265   4.491  -5.561
  101    HZ2  LYS  12           HZ2      LYS  12   2.276   5.881  -4.597
  102    HZ3  LYS  12           HZ3      LYS  12   2.123   4.356  -3.880
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1   8.204   2.418   3.224
    2    H2   SER   1           HT2      SER   1   8.134   3.849   4.169
    3    H3   SER   1           HT3      SER   1   7.312   3.770   2.664
    4    HA   SER   1           HA       SER   1   6.718   1.981   4.913
    5    HB2  SER   1           HB3      SER   1   5.647   4.725   4.240
    6    HB3  SER   1           HB2      SER   1   4.750   3.581   5.238
    7    HG   SER   1           HG       SER   1   6.869   5.152   5.887
    8    H    TRP   2           H        TRP   2   4.107   1.783   4.654
    9    HA   TRP   2           HA       TRP   2   3.742   0.775   1.920
   10    HB2  TRP   2           HB3      TRP   2   2.834  -0.141   4.597
   11    HB3  TRP   2           HB2      TRP   2   1.720  -0.385   3.258
   12    HD1  TRP   2           HD1      TRP   2   4.938  -1.708   4.721
   13    HE1  TRP   2           HE1      TRP   2   5.759  -3.710   3.326
   14    HE3  TRP   2           HE3      TRP   2   1.686  -1.354   0.785
   15    HZ2  TRP   2           HZ2      TRP   2   5.120  -4.962   0.872
   16    HZ3  TRP   2           HZ3      TRP   2   1.872  -2.953  -1.040
   17    HH2  TRP   2           HH2      TRP   2   3.545  -4.742  -1.003
   18    H    THR   3           H        THR   3   1.756   1.124   0.806
   19    HA   THR   3           HA       THR   3   0.257   3.454   1.840
   20    HB   THR   3           HB       THR   3   0.664   2.720  -1.062
   21    HG1  THR   3           HG1      THR   3   2.045   4.557   0.588
   22   HG21  THR   3          HG21      THR   3  -1.242   4.074  -0.939
   23   HG22  THR   3          HG22      THR   3   0.079   5.162  -1.364
   24   HG23  THR   3          HG23      THR   3  -0.526   5.114   0.292
   25    H    TRP   4           H        TRP   4  -1.768   3.053   2.351
   26    HA   TRP   4           HA       TRP   4  -3.077   0.649   1.330
   27    HB2  TRP   4           HB3      TRP   4  -2.980   1.319   3.823
   28    HB3  TRP   4           HB2      TRP   4  -4.147   2.524   3.398
   29    HD1  TRP   4           HD1      TRP   4  -6.280   1.708   4.467
   30    HE1  TRP   4           HE1      TRP   4  -7.662  -0.475   4.376
   31    HE3  TRP   4           HE3      TRP   4  -3.028  -1.091   1.853
   32    HZ2  TRP   4           HZ2      TRP   4  -7.353  -3.085   3.297
   33    HZ3  TRP   4           HZ3      TRP   4  -3.590  -3.441   1.308
   34    HH2  TRP   4           HH2      TRP   4  -5.716  -4.414   2.027
   35    H    GLU   5           H        GLU   5  -4.473   0.779  -0.320
   36    HA   GLU   5           HA       GLU   5  -6.066   3.214  -0.637
   37    HB2  GLU   5           HB3      GLU   5  -5.643   3.133  -3.111
   38    HB3  GLU   5           HB2      GLU   5  -4.258   3.609  -2.137
   39    HG2  GLU   5           HG3      GLU   5  -3.383   1.317  -2.302
   40    HG3  GLU   5           HG2      GLU   5  -4.747   0.892  -3.336
   41    H    ASN   6           H        ASN   6  -8.102   2.602  -0.576
   42    HA   ASN   6           HA       ASN   6  -9.998   1.349  -0.750
   43    HB2  ASN   6           HB3      ASN   6  -9.081   2.054  -3.241
   44    HB3  ASN   6           HB2      ASN   6  -9.363   0.319  -3.418
   45   HD21  ASN   6          HD21      ASN   6 -11.027   2.823  -1.543
   46   HD22  ASN   6          HD22      ASN   6 -12.582   2.557  -2.244
   47    H    GLY   7           H        GLY   7  -8.164  -0.131   0.665
   48    HA2  GLY   7           HA3      GLY   7  -8.135  -2.306   1.458
   49    HA3  GLY   7           HA2      GLY   7  -9.100  -2.791   0.071
   50    H    LYS   8           H        LYS   8  -6.215  -1.027  -0.627
   51    HA   LYS   8           HA       LYS   8  -4.772  -3.537  -1.135
   52    HB2  LYS   8           HB3      LYS   8  -5.852  -2.807  -3.228
   53    HB3  LYS   8           HB2      LYS   8  -5.024  -1.261  -3.107
   54    HG2  LYS   8           HG3      LYS   8  -3.604  -2.307  -4.525
   55    HG3  LYS   8           HG2      LYS   8  -2.895  -2.840  -2.999
   56    HD2  LYS   8           HD3      LYS   8  -4.802  -4.743  -3.415
   57    HD3  LYS   8           HD2      LYS   8  -4.304  -4.373  -5.067
   58    HE2  LYS   8           HE3      LYS   8  -2.737  -5.945  -4.604
   59    HE3  LYS   8           HE2      LYS   8  -1.893  -4.547  -3.937
   60    HZ1  LYS   8           HZ1      LYS   8  -3.190  -5.231  -1.795
   61    HZ2  LYS   8           HZ2      LYS   8  -1.749  -6.013  -2.210
   62    HZ3  LYS   8           HZ3      LYS   8  -3.235  -6.750  -2.540
   63    H    TRP   9           H        TRP   9  -2.602  -3.487  -0.833
   64    HA   TRP   9           HA       TRP   9  -1.498  -1.057   0.374
   65    HB2  TRP   9           HB3      TRP   9  -0.909  -3.958   0.526
   66    HB3  TRP   9           HB2      TRP   9   0.398  -2.868   0.797
   67    HD1  TRP   9           HD1      TRP   9  -1.865  -4.695   2.662
   68    HE1  TRP   9           HE1      TRP   9  -2.315  -3.672   5.000
   69    HE3  TRP   9           HE3      TRP   9  -0.058  -0.080   1.774
   70    HZ2  TRP   9           HZ2      TRP   9  -1.919  -1.151   6.268
   71    HZ3  TRP   9           HZ3      TRP   9  -0.120   1.605   3.551
   72    HH2  TRP   9           HH2      TRP   9  -1.013   1.080   5.755
   73    H    THR  10           H        THR  10   0.326  -0.046  -0.379
   74    HA   THR  10           HA       THR  10   1.483  -1.055  -2.887
   75    HB   THR  10           HB       THR  10   1.602   1.828  -2.744
   76    HG1  THR  10           HG1      THR  10  -1.009   0.733  -2.835
   77   HG21  THR  10          HG21      THR  10  -0.082   1.069  -4.830
   78   HG22  THR  10          HG22      THR  10   1.106  -0.226  -4.679
   79   HG23  THR  10          HG23      THR  10   1.640   1.439  -4.916
   80    H    TRP  11           H        TRP  11   3.606  -1.332  -2.766
   81    HA   TRP  11           HA       TRP  11   5.042  -0.228  -0.489
   82    HB2  TRP  11           HB3      TRP  11   5.327  -2.599  -0.953
   83    HB3  TRP  11           HB2      TRP  11   5.883  -2.240  -2.585
   84    HD1  TRP  11           HD1      TRP  11   8.414  -2.496  -2.769
   85    HE1  TRP  11           HE1      TRP  11  10.436  -2.089  -1.229
   86    HE3  TRP  11           HE3      TRP  11   5.946  -0.834   1.386
   87    HZ2  TRP  11           HZ2      TRP  11  10.920  -1.179   1.401
   88    HZ3  TRP  11           HZ3      TRP  11   7.260  -0.214   3.369
   89    HH2  TRP  11           HH2      TRP  11   9.696  -0.384   3.377
   90    H    LYS  12           H        LYS  12   7.032   0.894  -0.690
   91    HA   LYS  12           HA       LYS  12   8.221   1.696  -3.082
   92    HB2  LYS  12           HB3      LYS  12   7.452   4.148  -2.994
   93    HB3  LYS  12           HB2      LYS  12   6.361   2.972  -3.714
   94    HG2  LYS  12           HG3      LYS  12   5.751   3.083  -0.962
   95    HG3  LYS  12           HG2      LYS  12   5.907   4.746  -1.531
   96    HD2  LYS  12           HD3      LYS  12   4.277   2.697  -3.008
   97    HD3  LYS  12           HD2      LYS  12   3.601   3.665  -1.696
   98    HE2  LYS  12           HE3      LYS  12   3.548   5.547  -2.938
   99    HE3  LYS  12           HE2      LYS  12   5.067   5.174  -3.753
  100    HZ1  LYS  12           HZ1      LYS  12   2.700   5.083  -4.952
  101    HZ2  LYS  12           HZ2      LYS  12   2.809   3.477  -4.432
  102    HZ3  LYS  12           HZ3      LYS  12   4.013   4.127  -5.426
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1   7.399   3.691   2.814
    2    H2   SER   1           HT2      SER   1   8.260   2.306   3.346
    3    H3   SER   1           HT3      SER   1   8.201   3.712   4.329
    4    HA   SER   1           HA       SER   1   6.745   1.872   5.025
    5    HB2  SER   1           HB3      SER   1   6.040   4.705   4.522
    6    HB3  SER   1           HB2      SER   1   4.696   3.645   4.946
    7    HG   SER   1           HG       SER   1   6.679   4.629   6.514
    8    H    TRP   2           H        TRP   2   4.111   1.754   4.683
    9    HA   TRP   2           HA       TRP   2   3.826   0.709   1.951
   10    HB2  TRP   2           HB3      TRP   2   2.829  -0.174   4.606
   11    HB3  TRP   2           HB2      TRP   2   1.744  -0.405   3.242
   12    HD1  TRP   2           HD1      TRP   2   4.952  -1.734   4.752
   13    HE1  TRP   2           HE1      TRP   2   5.747  -3.778   3.403
   14    HE3  TRP   2           HE3      TRP   2   1.680  -1.448   0.828
   15    HZ2  TRP   2           HZ2      TRP   2   5.082  -5.084   0.984
   16    HZ3  TRP   2           HZ3      TRP   2   1.841  -3.093  -0.958
   17    HH2  TRP   2           HH2      TRP   2   3.497  -4.896  -0.887
   18    H    THR   3           H        THR   3   1.817   1.022   0.814
   19    HA   THR   3           HA       THR   3   0.369   3.423   1.752
   20    HB   THR   3           HB       THR   3   0.770   2.582  -1.121
   21    HG1  THR   3           HG1      THR   3   2.713   3.303  -0.765
   22   HG21  THR   3          HG21      THR   3   0.377   5.349  -0.870
   23   HG22  THR   3          HG22      THR   3  -0.883   4.565   0.084
   24   HG23  THR   3          HG23      THR   3  -0.686   4.160  -1.622
   25    H    TRP   4           H        TRP   4  -1.668   3.084   2.263
   26    HA   TRP   4           HA       TRP   4  -3.025   0.678   1.307
   27    HB2  TRP   4           HB3      TRP   4  -2.919   1.409   3.781
   28    HB3  TRP   4           HB2      TRP   4  -4.055   2.631   3.323
   29    HD1  TRP   4           HD1      TRP   4  -6.210   1.897   4.405
   30    HE1  TRP   4           HE1      TRP   4  -7.646  -0.254   4.367
   31    HE3  TRP   4           HE3      TRP   4  -3.021  -1.051   1.877
   32    HZ2  TRP   4           HZ2      TRP   4  -7.398  -2.898   3.359
   33    HZ3  TRP   4           HZ3      TRP   4  -3.639  -3.399   1.394
   34    HH2  TRP   4           HH2      TRP   4  -5.791  -4.301   2.131
   35    H    GLU   5           H        GLU   5  -4.414   0.795  -0.350
   36    HA   GLU   5           HA       GLU   5  -5.952   3.256  -0.735
   37    HB2  GLU   5           HB3      GLU   5  -5.529   3.051  -3.222
   38    HB3  GLU   5           HB2      GLU   5  -4.174   3.609  -2.251
   39    HG2  GLU   5           HG3      GLU   5  -2.938   2.028  -3.173
   40    HG3  GLU   5           HG2      GLU   5  -3.927   0.830  -2.340
   41    H    ASN   6           H        ASN   6  -8.002   2.696  -0.674
   42    HA   ASN   6           HA       ASN   6  -9.927   1.483  -0.823
   43    HB2  ASN   6           HB3      ASN   6  -8.976   2.090  -3.329
   44    HB3  ASN   6           HB2      ASN   6  -9.303   0.359  -3.455
   45   HD21  ASN   6          HD21      ASN   6 -10.911   2.960  -1.666
   46   HD22  ASN   6          HD22      ASN   6 -12.468   2.714  -2.369
   47    H    GLY   7           H        GLY   7  -8.137   0.003   0.647
   48    HA2  GLY   7           HA3      GLY   7  -8.156  -2.147   1.504
   49    HA3  GLY   7           HA2      GLY   7  -9.134  -2.650   0.133
   50    H    LYS   8           H        LYS   8  -6.205  -0.979  -0.614
   51    HA   LYS   8           HA       LYS   8  -4.824  -3.537  -1.048
   52    HB2  LYS   8           HB3      LYS   8  -5.903  -2.808  -3.159
   53    HB3  LYS   8           HB2      LYS   8  -4.980  -1.313  -3.087
   54    HG2  LYS   8           HG3      LYS   8  -3.757  -2.612  -4.555
   55    HG3  LYS   8           HG2      LYS   8  -2.913  -2.851  -3.023
   56    HD2  LYS   8           HD3      LYS   8  -4.554  -4.884  -2.794
   57    HD3  LYS   8           HD2      LYS   8  -4.659  -4.732  -4.549
   58    HE2  LYS   8           HE3      LYS   8  -2.934  -6.290  -4.132
   59    HE3  LYS   8           HE2      LYS   8  -2.133  -4.784  -4.576
   60    HZ1  LYS   8           HZ1      LYS   8  -1.603  -4.357  -2.323
   61    HZ2  LYS   8           HZ2      LYS   8  -1.166  -5.963  -2.620
   62    HZ3  LYS   8           HZ3      LYS   8  -2.584  -5.618  -1.767
   63    H    TRP   9           H        TRP   9  -2.653  -3.531  -0.746
   64    HA   TRP   9           HA       TRP   9  -1.493  -1.095   0.395
   65    HB2  TRP   9           HB3      TRP   9  -0.968  -4.005   0.624
   66    HB3  TRP   9           HB2      TRP   9   0.362  -2.936   0.870
   67    HD1  TRP   9           HD1      TRP   9  -1.948  -4.664   2.775
   68    HE1  TRP   9           HE1      TRP   9  -2.380  -3.572   5.084
   69    HE3  TRP   9           HE3      TRP   9  -0.028  -0.119   1.777
   70    HZ2  TRP   9           HZ2      TRP   9  -1.927  -1.030   6.289
   71    HZ3  TRP   9           HZ3      TRP   9  -0.055   1.612   3.510
   72    HH2  TRP   9           HH2      TRP   9  -0.966   1.165   5.724
   73    H    THR  10           H        THR  10   0.333  -0.132  -0.401
   74    HA   THR  10           HA       THR  10   1.479  -1.247  -2.869
   75    HB   THR  10           HB       THR  10   1.660   1.624  -2.868
   76    HG1  THR  10           HG1      THR  10  -0.987   0.618  -2.796
   77   HG21  THR  10          HG21      THR  10   1.599   1.129  -5.018
   78   HG22  THR  10          HG22      THR  10  -0.130   0.825  -4.849
   79   HG23  THR  10          HG23      THR  10   1.020  -0.502  -4.678
   80    H    TRP  11           H        TRP  11   3.598  -1.547  -2.734
   81    HA   TRP  11           HA       TRP  11   5.044  -0.387  -0.494
   82    HB2  TRP  11           HB3      TRP  11   5.304  -2.773  -0.890
   83    HB3  TRP  11           HB2      TRP  11   5.868  -2.467  -2.529
   84    HD1  TRP  11           HD1      TRP  11   8.397  -2.755  -2.697
   85    HE1  TRP  11           HE1      TRP  11  10.419  -2.324  -1.164
   86    HE3  TRP  11           HE3      TRP  11   5.935  -0.946   1.398
   87    HZ2  TRP  11           HZ2      TRP  11  10.905  -1.342   1.439
   88    HZ3  TRP  11           HZ3      TRP  11   7.249  -0.282   3.366
   89    HH2  TRP  11           HH2      TRP  11   9.683  -0.476   3.387
   90    H    LYS  12           H        LYS  12   7.046   0.709  -0.725
   91    HA   LYS  12           HA       LYS  12   8.246   1.428  -3.137
   92    HB2  LYS  12           HB3      LYS  12   7.512   3.828  -3.263
   93    HB3  LYS  12           HB2      LYS  12   6.284   2.657  -3.723
   94    HG2  LYS  12           HG3      LYS  12   5.647   2.901  -1.155
   95    HG3  LYS  12           HG2      LYS  12   6.393   4.482  -1.397
   96    HD2  LYS  12           HD3      LYS  12   4.815   4.273  -3.610
   97    HD3  LYS  12           HD2      LYS  12   3.851   3.418  -2.405
   98    HE2  LYS  12           HE3      LYS  12   3.284   5.795  -2.483
   99    HE3  LYS  12           HE2      LYS  12   3.968   5.345  -0.921
  100    HZ1  LYS  12           HZ1      LYS  12   4.774   7.452  -2.320
  101    HZ2  LYS  12           HZ2      LYS  12   5.859   6.297  -2.912
  102    HZ3  LYS  12           HZ3      LYS  12   5.783   6.611  -1.252
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1   8.272   2.378   3.156
    2    H2   SER   1           HT2      SER   1   8.211   3.800   4.115
    3    H3   SER   1           HT3      SER   1   7.378   3.737   2.616
    4    HA   SER   1           HA       SER   1   6.800   1.943   4.868
    5    HB2  SER   1           HB3      SER   1   6.528   4.384   5.433
    6    HB3  SER   1           HB2      SER   1   5.356   4.497   4.120
    7    HG   SER   1           HG       SER   1   5.182   2.954   6.488
    8    H    TRP   2           H        TRP   2   4.130   1.862   4.575
    9    HA   TRP   2           HA       TRP   2   3.794   0.776   1.862
   10    HB2  TRP   2           HB3      TRP   2   2.884  -0.119   4.544
   11    HB3  TRP   2           HB2      TRP   2   1.768  -0.368   3.208
   12    HD1  TRP   2           HD1      TRP   2   4.996  -1.681   4.664
   13    HE1  TRP   2           HE1      TRP   2   5.805  -3.697   3.282
   14    HE3  TRP   2           HE3      TRP   2   1.710  -1.366   0.754
   15    HZ2  TRP   2           HZ2      TRP   2   5.146  -4.971   0.846
   16    HZ3  TRP   2           HZ3      TRP   2   1.880  -2.983  -1.057
   17    HH2  TRP   2           HH2      TRP   2   3.554  -4.770  -1.018
   18    H    THR   3           H        THR   3   1.806   1.114   0.744
   19    HA   THR   3           HA       THR   3   0.321   3.466   1.745
   20    HB   THR   3           HB       THR   3   0.171   2.917  -1.141
   21    HG1  THR   3           HG1      THR   3   2.308   2.444  -0.991
   22   HG21  THR   3          HG21      THR   3   0.332   5.250   0.645
   23   HG22  THR   3          HG22      THR   3  -0.638   4.985  -0.804
   24   HG23  THR   3          HG23      THR   3   1.063   5.429  -0.950
   25    H    TRP   4           H        TRP   4  -1.705   3.087   2.278
   26    HA   TRP   4           HA       TRP   4  -3.033   0.671   1.307
   27    HB2  TRP   4           HB3      TRP   4  -2.913   1.377   3.789
   28    HB3  TRP   4           HB2      TRP   4  -4.078   2.581   3.355
   29    HD1  TRP   4           HD1      TRP   4  -6.203   1.792   4.457
   30    HE1  TRP   4           HE1      TRP   4  -7.598  -0.385   4.409
   31    HE3  TRP   4           HE3      TRP   4  -2.991  -1.063   1.851
   32    HZ2  TRP   4           HZ2      TRP   4  -7.314  -3.011   3.364
   33    HZ3  TRP   4           HZ3      TRP   4  -3.572  -3.416   1.345
   34    HH2  TRP   4           HH2      TRP   4  -5.697  -4.367   2.097
   35    H    GLU   5           H        GLU   5  -4.442   0.782  -0.333
   36    HA   GLU   5           HA       GLU   5  -6.025   3.221  -0.675
   37    HB2  GLU   5           HB3      GLU   5  -3.839   2.866  -2.211
   38    HB3  GLU   5           HB2      GLU   5  -5.024   1.998  -3.177
   39    HG2  GLU   5           HG3      GLU   5  -5.976   4.588  -2.252
   40    HG3  GLU   5           HG2      GLU   5  -4.535   4.691  -3.262
   41    H    ASN   6           H        ASN   6  -8.064   2.621  -0.590
   42    HA   ASN   6           HA       ASN   6  -9.968   1.375  -0.730
   43    HB2  ASN   6           HB3      ASN   6  -9.068   2.039  -3.238
   44    HB3  ASN   6           HB2      ASN   6  -9.357   0.303  -3.389
   45   HD21  ASN   6          HD21      ASN   6 -10.998   2.840  -1.538
   46   HD22  ASN   6          HD22      ASN   6 -12.559   2.569  -2.223
   47    H    GLY   7           H        GLY   7  -8.130  -0.093   0.692
   48    HA2  GLY   7           HA3      GLY   7  -8.104  -2.257   1.516
   49    HA3  GLY   7           HA2      GLY   7  -9.086  -2.757   0.146
   50    H    LYS   8           H        LYS   8  -6.196  -1.019  -0.601
   51    HA   LYS   8           HA       LYS   8  -4.771  -3.543  -1.089
   52    HB2  LYS   8           HB3      LYS   8  -5.852  -2.852  -3.186
   53    HB3  LYS   8           HB2      LYS   8  -5.051  -1.291  -3.085
   54    HG2  LYS   8           HG3      LYS   8  -3.500  -2.218  -4.390
   55    HG3  LYS   8           HG2      LYS   8  -2.942  -3.011  -2.916
   56    HD2  LYS   8           HD3      LYS   8  -4.914  -4.151  -4.895
   57    HD3  LYS   8           HD2      LYS   8  -3.216  -4.610  -4.751
   58    HE2  LYS   8           HE3      LYS   8  -5.227  -4.863  -2.521
   59    HE3  LYS   8           HE2      LYS   8  -4.824  -6.169  -3.634
   60    HZ1  LYS   8           HZ1      LYS   8  -3.589  -5.783  -1.314
   61    HZ2  LYS   8           HZ2      LYS   8  -2.574  -4.883  -2.323
   62    HZ3  LYS   8           HZ3      LYS   8  -2.849  -6.520  -2.645
   63    H    TRP   9           H        TRP   9  -2.598  -3.501  -0.805
   64    HA   TRP   9           HA       TRP   9  -1.475  -1.061   0.365
   65    HB2  TRP   9           HB3      TRP   9  -0.899  -3.963   0.550
   66    HB3  TRP   9           HB2      TRP   9   0.416  -2.876   0.798
   67    HD1  TRP   9           HD1      TRP   9  -1.846  -4.665   2.701
   68    HE1  TRP   9           HE1      TRP   9  -2.275  -3.610   5.028
   69    HE3  TRP   9           HE3      TRP   9  -0.017  -0.074   1.742
   70    HZ2  TRP   9           HZ2      TRP   9  -1.856  -1.075   6.260
   71    HZ3  TRP   9           HZ3      TRP   9  -0.058   1.634   3.497
   72    HH2  TRP   9           HH2      TRP   9  -0.940   1.144   5.713
   73    H    THR  10           H        THR  10   0.332  -0.057  -0.419
   74    HA   THR  10           HA       THR  10   1.485  -1.106  -2.913
   75    HB   THR  10           HB       THR  10   1.583   1.786  -2.803
   76    HG1  THR  10           HG1      THR  10  -0.645   2.133  -3.076
   77   HG21  THR  10          HG21      THR  10   1.132  -0.295  -4.723
   78   HG22  THR  10          HG22      THR  10   1.655   1.372  -4.970
   79   HG23  THR  10          HG23      THR  10  -0.066   0.988  -4.901
   80    H    TRP  11           H        TRP  11   3.609  -1.374  -2.788
   81    HA   TRP  11           HA       TRP  11   5.041  -0.242  -0.526
   82    HB2  TRP  11           HB3      TRP  11   5.360  -2.604  -0.969
   83    HB3  TRP  11           HB2      TRP  11   5.879  -2.259  -2.617
   84    HD1  TRP  11           HD1      TRP  11   8.410  -2.451  -2.865
   85    HE1  TRP  11           HE1      TRP  11  10.459  -2.019  -1.368
   86    HE3  TRP  11           HE3      TRP  11   6.009  -0.857   1.356
   87    HZ2  TRP  11           HZ2      TRP  11  10.987  -1.118   1.256
   88    HZ3  TRP  11           HZ3      TRP  11   7.357  -0.227   3.313
   89    HH2  TRP  11           HH2      TRP  11   9.795  -0.355   3.264
   90    H    LYS  12           H        LYS  12   7.021   0.897  -0.732
   91    HA   LYS  12           HA       LYS  12   8.112   1.739  -3.186
   92    HB2  LYS  12           HB3      LYS  12   5.837   3.268  -2.208
   93    HB3  LYS  12           HB2      LYS  12   7.274   4.268  -2.379
   94    HG2  LYS  12           HG3      LYS  12   7.327   4.053  -4.644
   95    HG3  LYS  12           HG2      LYS  12   6.574   2.457  -4.622
   96    HD2  LYS  12           HD3      LYS  12   4.504   3.308  -4.784
   97    HD3  LYS  12           HD2      LYS  12   4.842   4.590  -3.620
   98    HE2  LYS  12           HE3      LYS  12   5.326   6.085  -5.224
   99    HE3  LYS  12           HE2      LYS  12   6.212   4.905  -6.190
  100    HZ1  LYS  12           HZ1      LYS  12   3.261   5.221  -6.079
  101    HZ2  LYS  12           HZ2      LYS  12   4.072   4.020  -6.951
  102    HZ3  LYS  12           HZ3      LYS  12   4.268   5.647  -7.370
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1   8.413   3.401   4.384
    2    H2   SER   1           HT2      SER   1   7.609   3.759   2.910
    3    H3   SER   1           HT3      SER   1   8.184   2.170   3.213
    4    HA   SER   1           HA       SER   1   6.670   1.987   5.065
    5    HB2  SER   1           HB3      SER   1   4.790   3.832   4.890
    6    HB3  SER   1           HB2      SER   1   6.259   4.145   5.813
    7    HG   SER   1           HG       SER   1   6.995   5.442   4.237
    8    H    TRP   2           H        TRP   2   4.120   1.867   4.635
    9    HA   TRP   2           HA       TRP   2   3.845   0.812   1.903
   10    HB2  TRP   2           HB3      TRP   2   2.875  -0.114   4.553
   11    HB3  TRP   2           HB2      TRP   2   1.786  -0.344   3.192
   12    HD1  TRP   2           HD1      TRP   2   5.035  -1.632   4.657
   13    HE1  TRP   2           HE1      TRP   2   5.849  -3.649   3.281
   14    HE3  TRP   2           HE3      TRP   2   1.704  -1.376   0.781
   15    HZ2  TRP   2           HZ2      TRP   2   5.175  -4.948   0.861
   16    HZ3  TRP   2           HZ3      TRP   2   1.870  -3.003  -1.020
   17    HH2  TRP   2           HH2      TRP   2   3.561  -4.775  -0.986
   18    H    THR   3           H        THR   3   1.819   1.102   0.788
   19    HA   THR   3           HA       THR   3   0.346   3.475   1.760
   20    HB   THR   3           HB       THR   3   0.302   2.858  -1.137
   21    HG1  THR   3           HG1      THR   3   2.457   2.577  -0.870
   22   HG21  THR   3          HG21      THR   3  -0.766   4.840  -0.731
   23   HG22  THR   3          HG22      THR   3   0.864   5.400  -1.102
   24   HG23  THR   3          HG23      THR   3   0.331   5.290   0.575
   25    H    TRP   4           H        TRP   4  -1.681   3.102   2.278
   26    HA   TRP   4           HA       TRP   4  -3.007   0.683   1.317
   27    HB2  TRP   4           HB3      TRP   4  -2.907   1.411   3.790
   28    HB3  TRP   4           HB2      TRP   4  -4.057   2.621   3.336
   29    HD1  TRP   4           HD1      TRP   4  -6.201   1.861   4.423
   30    HE1  TRP   4           HE1      TRP   4  -7.612  -0.305   4.386
   31    HE3  TRP   4           HE3      TRP   4  -2.986  -1.045   1.881
   32    HZ2  TRP   4           HZ2      TRP   4  -7.337  -2.945   3.372
   33    HZ3  TRP   4           HZ3      TRP   4  -3.578  -3.399   1.396
   34    HH2  TRP   4           HH2      TRP   4  -5.717  -4.327   2.137
   35    H    GLU   5           H        GLU   5  -4.399   0.781  -0.338
   36    HA   GLU   5           HA       GLU   5  -5.974   3.218  -0.721
   37    HB2  GLU   5           HB3      GLU   5  -3.802   2.978  -2.206
   38    HB3  GLU   5           HB2      GLU   5  -4.835   1.912  -3.149
   39    HG2  GLU   5           HG3      GLU   5  -5.011   4.029  -4.144
   40    HG3  GLU   5           HG2      GLU   5  -6.502   3.802  -3.231
   41    H    ASN   6           H        ASN   6  -8.018   2.639  -0.675
   42    HA   ASN   6           HA       ASN   6  -9.927   1.402  -0.826
   43    HB2  ASN   6           HB3      ASN   6  -8.974   2.005  -3.330
   44    HB3  ASN   6           HB2      ASN   6  -9.273   0.268  -3.448
   45   HD21  ASN   6          HD21      ASN   6 -10.929   2.857  -1.684
   46   HD22  ASN   6          HD22      ASN   6 -12.479   2.583  -2.394
   47    H    GLY   7           H        GLY   7  -8.128  -0.049   0.664
   48    HA2  GLY   7           HA3      GLY   7  -8.123  -2.192   1.534
   49    HA3  GLY   7           HA2      GLY   7  -9.098  -2.714   0.167
   50    H    LYS   8           H        LYS   8  -6.195  -1.026  -0.626
   51    HA   LYS   8           HA       LYS   8  -4.784  -3.571  -1.019
   52    HB2  LYS   8           HB3      LYS   8  -5.926  -2.843  -3.121
   53    HB3  LYS   8           HB2      LYS   8  -4.951  -1.384  -3.092
   54    HG2  LYS   8           HG3      LYS   8  -4.150  -3.205  -4.616
   55    HG3  LYS   8           HG2      LYS   8  -2.961  -2.579  -3.477
   56    HD2  LYS   8           HD3      LYS   8  -2.988  -5.082  -3.751
   57    HD3  LYS   8           HD2      LYS   8  -3.142  -4.503  -2.096
   58    HE2  LYS   8           HE3      LYS   8  -5.751  -4.739  -3.209
   59    HE3  LYS   8           HE2      LYS   8  -4.869  -6.227  -3.541
   60    HZ1  LYS   8           HZ1      LYS   8  -5.235  -6.836  -1.459
   61    HZ2  LYS   8           HZ2      LYS   8  -6.009  -5.372  -1.117
   62    HZ3  LYS   8           HZ3      LYS   8  -4.337  -5.515  -0.898
   63    H    TRP   9           H        TRP   9  -2.617  -3.526  -0.724
   64    HA   TRP   9           HA       TRP   9  -1.478  -1.069   0.380
   65    HB2  TRP   9           HB3      TRP   9  -0.908  -3.973   0.608
   66    HB3  TRP   9           HB2      TRP   9   0.406  -2.883   0.843
   67    HD1  TRP   9           HD1      TRP   9  -1.870  -4.647   2.765
   68    HE1  TRP   9           HE1      TRP   9  -2.293  -3.562   5.079
   69    HE3  TRP   9           HE3      TRP   9  -0.010  -0.079   1.756
   70    HZ2  TRP   9           HZ2      TRP   9  -1.857  -1.016   6.284
   71    HZ3  TRP   9           HZ3      TRP   9  -0.040   1.649   3.489
   72    HH2  TRP   9           HH2      TRP   9  -0.925   1.190   5.712
   73    H    THR  10           H        THR  10   0.300  -0.068  -0.461
   74    HA   THR  10           HA       THR  10   1.460  -1.199  -2.914
   75    HB   THR  10           HB       THR  10   1.440   1.729  -2.819
   76    HG1  THR  10           HG1      THR  10  -0.623   1.302  -1.912
   77   HG21  THR  10          HG21      THR  10   1.684   1.405  -4.986
   78   HG22  THR  10          HG22      THR  10   0.068   0.703  -5.062
   79   HG23  THR  10          HG23      THR  10   1.466  -0.331  -4.764
   80    H    TRP  11           H        TRP  11   3.584  -1.441  -2.785
   81    HA   TRP  11           HA       TRP  11   5.011  -0.232  -0.564
   82    HB2  TRP  11           HB3      TRP  11   5.342  -2.607  -0.983
   83    HB3  TRP  11           HB2      TRP  11   5.891  -2.267  -2.621
   84    HD1  TRP  11           HD1      TRP  11   8.428  -2.471  -2.798
   85    HE1  TRP  11           HE1      TRP  11  10.439  -1.988  -1.265
   86    HE3  TRP  11           HE3      TRP  11   5.918  -0.783   1.319
   87    HZ2  TRP  11           HZ2      TRP  11  10.898  -1.017   1.347
   88    HZ3  TRP  11           HZ3      TRP  11   7.213  -0.095   3.290
   89    HH2  TRP  11           HH2      TRP  11   9.653  -0.210   3.306
   90    H    LYS  12           H        LYS  12   6.974   0.927  -0.796
   91    HA   LYS  12           HA       LYS  12   8.126   1.708  -3.216
   92    HB2  LYS  12           HB3      LYS  12   7.325   4.111  -3.244
   93    HB3  LYS  12           HB2      LYS  12   6.161   2.910  -3.784
   94    HG2  LYS  12           HG3      LYS  12   5.517   3.031  -1.179
   95    HG3  LYS  12           HG2      LYS  12   6.113   4.673  -1.427
   96    HD2  LYS  12           HD3      LYS  12   3.978   3.308  -3.066
   97    HD3  LYS  12           HD2      LYS  12   3.696   4.515  -1.811
   98    HE2  LYS  12           HE3      LYS  12   5.607   5.310  -3.897
   99    HE3  LYS  12           HE2      LYS  12   3.952   5.069  -4.457
  100    HZ1  LYS  12           HZ1      LYS  12   4.088   7.304  -3.825
  101    HZ2  LYS  12           HZ2      LYS  12   4.926   6.957  -2.397
  102    HZ3  LYS  12           HZ3      LYS  12   3.291   6.550  -2.537
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1   8.498   3.244   4.042
    2    H2   SER   1           HT2      SER   1   7.491   3.995   2.873
    3    H3   SER   1           HT3      SER   1   8.011   2.375   2.647
    4    HA   SER   1           HA       SER   1   6.849   1.880   4.794
    5    HB2  SER   1           HB3      SER   1   6.149   4.713   4.273
    6    HB3  SER   1           HB2      SER   1   4.820   3.675   4.787
    7    HG   SER   1           HG       SER   1   5.962   4.664   6.543
    8    H    TRP   2           H        TRP   2   4.202   1.784   4.578
    9    HA   TRP   2           HA       TRP   2   3.773   0.718   1.873
   10    HB2  TRP   2           HB3      TRP   2   2.909  -0.148   4.581
   11    HB3  TRP   2           HB2      TRP   2   1.764  -0.394   3.269
   12    HD1  TRP   2           HD1      TRP   2   4.972  -1.761   4.700
   13    HE1  TRP   2           HE1      TRP   2   5.745  -3.787   3.312
   14    HE3  TRP   2           HE3      TRP   2   1.696  -1.373   0.788
   15    HZ2  TRP   2           HZ2      TRP   2   5.063  -5.042   0.871
   16    HZ3  TRP   2           HZ3      TRP   2   1.836  -2.988  -1.028
   17    HH2  TRP   2           HH2      TRP   2   3.477  -4.806  -0.993
   18    H    THR   3           H        THR   3   1.795   1.109   0.781
   19    HA   THR   3           HA       THR   3   0.327   3.447   1.840
   20    HB   THR   3           HB       THR   3  -0.013   3.206  -0.993
   21    HG1  THR   3           HG1      THR   3   2.126   3.454  -1.645
   22   HG21  THR   3          HG21      THR   3  -0.220   5.359  -0.373
   23   HG22  THR   3          HG22      THR   3   1.501   5.387  -0.761
   24   HG23  THR   3          HG23      THR   3   0.977   5.222   0.915
   25    H    TRP   4           H        TRP   4  -1.702   3.063   2.350
   26    HA   TRP   4           HA       TRP   4  -3.028   0.668   1.336
   27    HB2  TRP   4           HB3      TRP   4  -2.954   1.363   3.819
   28    HB3  TRP   4           HB2      TRP   4  -4.096   2.583   3.370
   29    HD1  TRP   4           HD1      TRP   4  -6.269   1.822   4.386
   30    HE1  TRP   4           HE1      TRP   4  -7.680  -0.344   4.306
   31    HE3  TRP   4           HE3      TRP   4  -2.991  -1.074   1.917
   32    HZ2  TRP   4           HZ2      TRP   4  -7.379  -2.981   3.291
   33    HZ3  TRP   4           HZ3      TRP   4  -3.570  -3.428   1.409
   34    HH2  TRP   4           HH2      TRP   4  -5.727  -4.358   2.093
   35    H    GLU   5           H        GLU   5  -4.404   0.786  -0.330
   36    HA   GLU   5           HA       GLU   5  -5.975   3.227  -0.699
   37    HB2  GLU   5           HB3      GLU   5  -3.987   2.092  -2.591
   38    HB3  GLU   5           HB2      GLU   5  -5.482   2.716  -3.274
   39    HG2  GLU   5           HG3      GLU   5  -4.090   4.546  -3.363
   40    HG3  GLU   5           HG2      GLU   5  -4.972   4.817  -1.860
   41    H    ASN   6           H        ASN   6  -8.022   2.656  -0.698
   42    HA   ASN   6           HA       ASN   6  -9.930   1.423  -0.883
   43    HB2  ASN   6           HB3      ASN   6  -8.935   2.033  -3.370
   44    HB3  ASN   6           HB2      ASN   6  -9.238   0.298  -3.499
   45   HD21  ASN   6          HD21      ASN   6 -10.914   2.886  -1.752
   46   HD22  ASN   6          HD22      ASN   6 -12.453   2.619  -2.486
   47    H    GLY   7           H        GLY   7  -8.157  -0.037   0.629
   48    HA2  GLY   7           HA3      GLY   7  -8.173  -2.184   1.490
   49    HA3  GLY   7           HA2      GLY   7  -9.124  -2.698   0.104
   50    H    LYS   8           H        LYS   8  -6.214  -1.015  -0.652
   51    HA   LYS   8           HA       LYS   8  -4.794  -3.562  -0.997
   52    HB2  LYS   8           HB3      LYS   8  -5.810  -3.018  -3.148
   53    HB3  LYS   8           HB2      LYS   8  -5.078  -1.421  -3.110
   54    HG2  LYS   8           HG3      LYS   8  -3.585  -2.470  -4.454
   55    HG3  LYS   8           HG2      LYS   8  -2.857  -2.848  -2.893
   56    HD2  LYS   8           HD3      LYS   8  -4.901  -4.712  -3.993
   57    HD3  LYS   8           HD2      LYS   8  -3.289  -4.719  -4.710
   58    HE2  LYS   8           HE3      LYS   8  -3.853  -5.039  -1.765
   59    HE3  LYS   8           HE2      LYS   8  -3.586  -6.376  -2.880
   60    HZ1  LYS   8           HZ1      LYS   8  -1.379  -5.508  -3.338
   61    HZ2  LYS   8           HZ2      LYS   8  -1.570  -5.804  -1.684
   62    HZ3  LYS   8           HZ3      LYS   8  -1.635  -4.221  -2.271
   63    H    TRP   9           H        TRP   9  -2.628  -3.520  -0.699
   64    HA   TRP   9           HA       TRP   9  -1.503  -1.065   0.424
   65    HB2  TRP   9           HB3      TRP   9  -0.918  -3.964   0.616
   66    HB3  TRP   9           HB2      TRP   9   0.400  -2.877   0.844
   67    HD1  TRP   9           HD1      TRP   9  -1.825  -4.664   2.786
   68    HE1  TRP   9           HE1      TRP   9  -2.229  -3.598   5.112
   69    HE3  TRP   9           HE3      TRP   9  -0.040  -0.065   1.777
   70    HZ2  TRP   9           HZ2      TRP   9  -1.810  -1.054   6.325
   71    HZ3  TRP   9           HZ3      TRP   9  -0.068   1.652   3.523
   72    HH2  TRP   9           HH2      TRP   9  -0.916   1.167   5.754
   73    H    THR  10           H        THR  10   0.337  -0.086  -0.343
   74    HA   THR  10           HA       THR  10   1.450  -1.114  -2.863
   75    HB   THR  10           HB       THR  10   1.521   1.801  -2.618
   76    HG1  THR  10           HG1      THR  10  -0.535   1.417  -1.696
   77   HG21  THR  10          HG21      THR  10   0.100   1.049  -4.892
   78   HG22  THR  10          HG22      THR  10   1.334  -0.192  -4.670
   79   HG23  THR  10          HG23      THR  10   1.801   1.505  -4.788
   80    H    TRP  11           H        TRP  11   3.572  -1.415  -2.768
   81    HA   TRP  11           HA       TRP  11   5.049  -0.320  -0.511
   82    HB2  TRP  11           HB3      TRP  11   5.307  -2.693  -0.959
   83    HB3  TRP  11           HB2      TRP  11   5.830  -2.356  -2.607
   84    HD1  TRP  11           HD1      TRP  11   8.355  -2.614  -2.856
   85    HE1  TRP  11           HE1      TRP  11  10.416  -2.225  -1.363
   86    HE3  TRP  11           HE3      TRP  11   5.996  -0.948   1.360
   87    HZ2  TRP  11           HZ2      TRP  11  10.967  -1.326   1.257
   88    HZ3  TRP  11           HZ3      TRP  11   7.360  -0.342   3.313
   89    HH2  TRP  11           HH2      TRP  11   9.794  -0.528   3.263
   90    H    LYS  12           H        LYS  12   7.049   0.776  -0.740
   91    HA   LYS  12           HA       LYS  12   8.157   1.578  -3.192
   92    HB2  LYS  12           HB3      LYS  12   5.864   3.113  -2.320
   93    HB3  LYS  12           HB2      LYS  12   7.299   4.126  -2.391
   94    HG2  LYS  12           HG3      LYS  12   7.615   3.697  -4.683
   95    HG3  LYS  12           HG2      LYS  12   6.471   2.354  -4.667
   96    HD2  LYS  12           HD3      LYS  12   5.026   3.878  -5.474
   97    HD3  LYS  12           HD2      LYS  12   4.903   4.390  -3.789
   98    HE2  LYS  12           HE3      LYS  12   5.275   6.340  -5.108
   99    HE3  LYS  12           HE2      LYS  12   6.765   5.999  -4.230
  100    HZ1  LYS  12           HZ1      LYS  12   6.316   5.092  -7.013
  101    HZ2  LYS  12           HZ2      LYS  12   7.777   5.164  -6.164
  102    HZ3  LYS  12           HZ3      LYS  12   7.010   6.591  -6.647
  Start of MODEL   11
    1    H1   SER   1           HT1      SER   1   7.334   3.877   2.881
    2    H2   SER   1           HT2      SER   1   8.114   2.374   3.160
    3    H3   SER   1           HT3      SER   1   8.227   3.631   4.324
    4    HA   SER   1           HA       SER   1   6.699   1.933   4.998
    5    HB2  SER   1           HB3      SER   1   5.414   4.574   4.251
    6    HB3  SER   1           HB2      SER   1   4.849   3.472   5.507
    7    HG   SER   1           HG       SER   1   6.499   4.028   6.767
    8    H    TRP   2           H        TRP   2   4.063   1.806   4.682
    9    HA   TRP   2           HA       TRP   2   3.749   0.777   1.945
   10    HB2  TRP   2           HB3      TRP   2   2.806  -0.151   4.606
   11    HB3  TRP   2           HB2      TRP   2   1.707  -0.384   3.253
   12    HD1  TRP   2           HD1      TRP   2   4.925  -1.706   4.730
   13    HE1  TRP   2           HE1      TRP   2   5.748  -3.710   3.338
   14    HE3  TRP   2           HE3      TRP   2   1.669  -1.365   0.796
   15    HZ2  TRP   2           HZ2      TRP   2   5.109  -4.967   0.887
   16    HZ3  TRP   2           HZ3      TRP   2   1.857  -2.968  -1.026
   17    HH2  TRP   2           HH2      TRP   2   3.532  -4.753  -0.987
   18    H    THR   3           H        THR   3   1.755   1.111   0.822
   19    HA   THR   3           HA       THR   3   0.262   3.454   1.835
   20    HB   THR   3           HB       THR   3   0.653   2.710  -1.065
   21    HG1  THR   3           HG1      THR   3   2.627   3.348  -0.549
   22   HG21  THR   3          HG21      THR   3  -0.151   4.846  -1.612
   23   HG22  THR   3          HG22      THR   3  -0.100   5.382   0.067
   24   HG23  THR   3          HG23      THR   3  -1.293   4.187  -0.441
   25    H    TRP   4           H        TRP   4  -1.766   3.063   2.340
   26    HA   TRP   4           HA       TRP   4  -3.079   0.657   1.329
   27    HB2  TRP   4           HB3      TRP   4  -2.990   1.342   3.817
   28    HB3  TRP   4           HB2      TRP   4  -4.150   2.550   3.379
   29    HD1  TRP   4           HD1      TRP   4  -6.291   1.751   4.444
   30    HE1  TRP   4           HE1      TRP   4  -7.683  -0.427   4.362
   31    HE3  TRP   4           HE3      TRP   4  -3.039  -1.081   1.864
   32    HZ2  TRP   4           HZ2      TRP   4  -7.380  -3.046   3.303
   33    HZ3  TRP   4           HZ3      TRP   4  -3.609  -3.431   1.334
   34    HH2  TRP   4           HH2      TRP   4  -5.743  -4.391   2.050
   35    H    GLU   5           H        GLU   5  -4.467   0.779  -0.328
   36    HA   GLU   5           HA       GLU   5  -6.050   3.216  -0.670
   37    HB2  GLU   5           HB3      GLU   5  -3.866   2.985  -2.158
   38    HB3  GLU   5           HB2      GLU   5  -4.923   1.969  -3.129
   39    HG2  GLU   5           HG3      GLU   5  -6.475   4.180  -2.671
   40    HG3  GLU   5           HG2      GLU   5  -4.858   4.864  -2.832
   41    H    ASN   6           H        ASN   6  -8.089   2.616  -0.619
   42    HA   ASN   6           HA       ASN   6  -9.990   1.369  -0.794
   43    HB2  ASN   6           HB3      ASN   6  -9.052   2.045  -3.286
   44    HB3  ASN   6           HB2      ASN   6  -9.343   0.310  -3.448
   45   HD21  ASN   6          HD21      ASN   6 -11.005   2.842  -1.608
   46   HD22  ASN   6          HD22      ASN   6 -12.556   2.577  -2.317
   47    H    GLY   7           H        GLY   7  -8.172  -0.105   0.647
   48    HA2  GLY   7           HA3      GLY   7  -8.153  -2.273   1.461
   49    HA3  GLY   7           HA2      GLY   7  -9.117  -2.767   0.076
   50    H    LYS   8           H        LYS   8  -6.222  -1.023  -0.631
   51    HA   LYS   8           HA       LYS   8  -4.789  -3.545  -1.110
   52    HB2  LYS   8           HB3      LYS   8  -5.841  -2.861  -3.218
   53    HB3  LYS   8           HB2      LYS   8  -5.061  -1.289  -3.103
   54    HG2  LYS   8           HG3      LYS   8  -3.468  -2.180  -4.376
   55    HG3  LYS   8           HG2      LYS   8  -2.939  -3.005  -2.908
   56    HD2  LYS   8           HD3      LYS   8  -4.930  -4.127  -4.877
   57    HD3  LYS   8           HD2      LYS   8  -3.208  -4.516  -4.865
   58    HE2  LYS   8           HE3      LYS   8  -5.040  -4.942  -2.511
   59    HE3  LYS   8           HE2      LYS   8  -4.685  -6.184  -3.711
   60    HZ1  LYS   8           HZ1      LYS   8  -2.378  -4.882  -2.524
   61    HZ2  LYS   8           HZ2      LYS   8  -2.632  -6.513  -2.889
   62    HZ3  LYS   8           HZ3      LYS   8  -3.285  -5.853  -1.476
   63    H    TRP   9           H        TRP   9  -2.619  -3.501  -0.802
   64    HA   TRP   9           HA       TRP   9  -1.508  -1.065   0.386
   65    HB2  TRP   9           HB3      TRP   9  -0.932  -3.968   0.565
   66    HB3  TRP   9           HB2      TRP   9   0.380  -2.881   0.829
   67    HD1  TRP   9           HD1      TRP   9  -1.895  -4.683   2.704
   68    HE1  TRP   9           HE1      TRP   9  -2.346  -3.640   5.032
   69    HE3  TRP   9           HE3      TRP   9  -0.067  -0.084   1.783
   70    HZ2  TRP   9           HZ2      TRP   9  -1.941  -1.111   6.281
   71    HZ3  TRP   9           HZ3      TRP   9  -0.126   1.616   3.545
   72    HH2  TRP   9           HH2      TRP   9  -1.025   1.112   5.752
   73    H    THR  10           H        THR  10   0.306  -0.057  -0.385
   74    HA   THR  10           HA       THR  10   1.480  -1.108  -2.868
   75    HB   THR  10           HB       THR  10   1.473   1.819  -2.641
   76    HG1  THR  10           HG1      THR  10  -0.611   1.373  -1.823
   77   HG21  THR  10          HG21      THR  10   1.454  -0.189  -4.691
   78   HG22  THR  10          HG22      THR  10   1.878   1.521  -4.791
   79   HG23  THR  10          HG23      THR  10   0.198   1.016  -4.980
   80    H    TRP  11           H        TRP  11   3.601  -1.376  -2.729
   81    HA   TRP  11           HA       TRP  11   5.021  -0.242  -0.460
   82    HB2  TRP  11           HB3      TRP  11   5.330  -2.610  -0.908
   83    HB3  TRP  11           HB2      TRP  11   5.877  -2.259  -2.545
   84    HD1  TRP  11           HD1      TRP  11   8.411  -2.481  -2.743
   85    HE1  TRP  11           HE1      TRP  11  10.435  -2.056  -1.211
   86    HE3  TRP  11           HE3      TRP  11   5.944  -0.848   1.423
   87    HZ2  TRP  11           HZ2      TRP  11  10.921  -1.145   1.418
   88    HZ3  TRP  11           HZ3      TRP  11   7.259  -0.217   3.402
   89    HH2  TRP  11           HH2      TRP  11   9.697  -0.363   3.400
   90    H    LYS  12           H        LYS  12   7.003   0.895  -0.656
   91    HA   LYS  12           HA       LYS  12   8.168   1.708  -3.066
   92    HB2  LYS  12           HB3      LYS  12   7.421   4.087  -3.110
   93    HB3  LYS  12           HB2      LYS  12   6.153   2.940  -3.520
   94    HG2  LYS  12           HG3      LYS  12   5.458   3.104  -1.068
   95    HG3  LYS  12           HG2      LYS  12   6.497   4.529  -1.003
   96    HD2  LYS  12           HD3      LYS  12   4.599   4.412  -3.260
   97    HD3  LYS  12           HD2      LYS  12   3.884   4.609  -1.659
   98    HE2  LYS  12           HE3      LYS  12   4.762   6.682  -1.370
   99    HE3  LYS  12           HE2      LYS  12   6.217   6.312  -2.295
  100    HZ1  LYS  12           HZ1      LYS  12   3.706   6.425  -3.772
  101    HZ2  LYS  12           HZ2      LYS  12   5.254   6.927  -4.231
  102    HZ3  LYS  12           HZ3      LYS  12   4.322   7.896  -3.206
  Start of MODEL   12
    1    H1   SER   1           HT1      SER   1   8.137   3.805   4.127
    2    H2   SER   1           HT2      SER   1   7.338   3.650   2.616
    3    H3   SER   1           HT3      SER   1   8.217   2.326   3.265
    4    HA   SER   1           HA       SER   1   6.697   1.962   4.927
    5    HB2  SER   1           HB3      SER   1   5.626   4.684   4.151
    6    HB3  SER   1           HB2      SER   1   4.781   3.589   5.245
    7    HG   SER   1           HG       SER   1   6.788   5.267   5.785
    8    H    TRP   2           H        TRP   2   4.080   1.812   4.653
    9    HA   TRP   2           HA       TRP   2   3.711   0.759   1.934
   10    HB2  TRP   2           HB3      TRP   2   2.816  -0.140   4.622
   11    HB3  TRP   2           HB2      TRP   2   1.695  -0.391   3.290
   12    HD1  TRP   2           HD1      TRP   2   4.904  -1.721   4.756
   13    HE1  TRP   2           HE1      TRP   2   5.727  -3.723   3.361
   14    HE3  TRP   2           HE3      TRP   2   1.671  -1.354   0.806
   15    HZ2  TRP   2           HZ2      TRP   2   5.098  -4.968   0.902
   16    HZ3  TRP   2           HZ3      TRP   2   1.863  -2.950  -1.022
   17    HH2  TRP   2           HH2      TRP   2   3.532  -4.741  -0.980
   18    H    THR   3           H        THR   3   1.750   1.131   0.809
   19    HA   THR   3           HA       THR   3   0.245   3.457   1.841
   20    HB   THR   3           HB       THR   3   0.182   2.913  -1.065
   21    HG1  THR   3           HG1      THR   3   2.326   2.606  -0.883
   22   HG21  THR   3          HG21      THR   3   0.248   5.291   0.713
   23   HG22  THR   3          HG22      THR   3  -0.835   4.905  -0.624
   24   HG23  THR   3          HG23      THR   3   0.810   5.450  -0.951
   25    H    TRP   4           H        TRP   4  -1.784   3.059   2.350
   26    HA   TRP   4           HA       TRP   4  -3.091   0.652   1.333
   27    HB2  TRP   4           HB3      TRP   4  -3.002   1.333   3.823
   28    HB3  TRP   4           HB2      TRP   4  -4.168   2.536   3.388
   29    HD1  TRP   4           HD1      TRP   4  -6.300   1.723   4.463
   30    HE1  TRP   4           HE1      TRP   4  -7.683  -0.460   4.374
   31    HE3  TRP   4           HE3      TRP   4  -3.048  -1.084   1.854
   32    HZ2  TRP   4           HZ2      TRP   4  -7.377  -3.072   3.299
   33    HZ3  TRP   4           HZ3      TRP   4  -3.612  -3.434   1.312
   34    HH2  TRP   4           HH2      TRP   4  -5.740  -4.404   2.031
   35    H    GLU   5           H        GLU   5  -4.481   0.775  -0.323
   36    HA   GLU   5           HA       GLU   5  -6.071   3.210  -0.657
   37    HB2  GLU   5           HB3      GLU   5  -3.851   2.761  -2.205
   38    HB3  GLU   5           HB2      GLU   5  -5.136   2.088  -3.199
   39    HG2  GLU   5           HG3      GLU   5  -5.430   4.162  -3.936
   40    HG3  GLU   5           HG2      GLU   5  -6.207   4.472  -2.384
   41    H    ASN   6           H        ASN   6  -8.108   2.599  -0.599
   42    HA   ASN   6           HA       ASN   6 -10.004   1.345  -0.775
   43    HB2  ASN   6           HB3      ASN   6  -8.971   1.946  -3.310
   44    HB3  ASN   6           HB2      ASN   6  -9.511   0.268  -3.412
   45   HD21  ASN   6          HD21      ASN   6 -11.617   0.447  -1.540
   46   HD22  ASN   6          HD22      ASN   6 -12.868   1.409  -2.240
   47    H    GLY   7           H        GLY   7  -8.175  -0.132   0.646
   48    HA2  GLY   7           HA3      GLY   7  -8.148  -2.306   1.443
   49    HA3  GLY   7           HA2      GLY   7  -9.110  -2.793   0.055
   50    H    LYS   8           H        LYS   8  -6.222  -1.031  -0.636
   51    HA   LYS   8           HA       LYS   8  -4.778  -3.542  -1.137
   52    HB2  LYS   8           HB3      LYS   8  -5.894  -2.732  -3.224
   53    HB3  LYS   8           HB2      LYS   8  -4.928  -1.266  -3.117
   54    HG2  LYS   8           HG3      LYS   8  -3.810  -2.632  -4.652
   55    HG3  LYS   8           HG2      LYS   8  -2.893  -2.782  -3.151
   56    HD2  LYS   8           HD3      LYS   8  -4.898  -4.774  -3.102
   57    HD3  LYS   8           HD2      LYS   8  -4.158  -4.825  -4.703
   58    HE2  LYS   8           HE3      LYS   8  -2.197  -5.589  -3.909
   59    HE3  LYS   8           HE2      LYS   8  -2.261  -4.560  -2.479
   60    HZ1  LYS   8           HZ1      LYS   8  -2.546  -7.195  -2.395
   61    HZ2  LYS   8           HZ2      LYS   8  -4.169  -6.751  -2.566
   62    HZ3  LYS   8           HZ3      LYS   8  -3.263  -6.155  -1.269
   63    H    TRP   9           H        TRP   9  -2.609  -3.490  -0.826
   64    HA   TRP   9           HA       TRP   9  -1.514  -1.059   0.386
   65    HB2  TRP   9           HB3      TRP   9  -0.927  -3.959   0.546
   66    HB3  TRP   9           HB2      TRP   9   0.381  -2.870   0.819
   67    HD1  TRP   9           HD1      TRP   9  -1.894  -4.688   2.678
   68    HE1  TRP   9           HE1      TRP   9  -2.353  -3.660   5.011
   69    HE3  TRP   9           HE3      TRP   9  -0.076  -0.079   1.787
   70    HZ2  TRP   9           HZ2      TRP   9  -1.959  -1.136   6.275
   71    HZ3  TRP   9           HZ3      TRP   9  -0.144   1.610   3.560
   72    HH2  TRP   9           HH2      TRP   9  -1.047   1.092   5.761
   73    H    THR  10           H        THR  10   0.304  -0.042  -0.358
   74    HA   THR  10           HA       THR  10   1.490  -1.052  -2.853
   75    HB   THR  10           HB       THR  10   1.565   1.845  -2.674
   76    HG1  THR  10           HG1      THR  10  -1.005   0.677  -2.910
   77   HG21  THR  10          HG21      THR  10   1.724   1.488  -4.847
   78   HG22  THR  10          HG22      THR  10   0.010   1.072  -4.852
   79   HG23  THR  10          HG23      THR  10   1.224  -0.193  -4.660
   80    H    TRP  11           H        TRP  11   3.614  -1.319  -2.704
   81    HA   TRP  11           HA       TRP  11   5.013  -0.214  -0.408
   82    HB2  TRP  11           HB3      TRP  11   5.348  -2.569  -0.868
   83    HB3  TRP  11           HB2      TRP  11   5.880  -2.208  -2.508
   84    HD1  TRP  11           HD1      TRP  11   8.416  -2.364  -2.742
   85    HE1  TRP  11           HE1      TRP  11  10.449  -1.941  -1.220
   86    HE3  TRP  11           HE3      TRP  11   5.965  -0.867   1.483
   87    HZ2  TRP  11           HZ2      TRP  11  10.946  -1.082   1.424
   88    HZ3  TRP  11           HZ3      TRP  11   7.289  -0.258   3.462
   89    HH2  TRP  11           HH2      TRP  11   9.728  -0.364   3.434
   90    H    LYS  12           H        LYS  12   6.996   0.927  -0.573
   91    HA   LYS  12           HA       LYS  12   8.050   1.826  -3.047
   92    HB2  LYS  12           HB3      LYS  12   5.883   3.374  -1.874
   93    HB3  LYS  12           HB2      LYS  12   7.348   4.330  -2.051
   94    HG2  LYS  12           HG3      LYS  12   7.349   4.152  -4.350
   95    HG3  LYS  12           HG2      LYS  12   6.363   2.688  -4.340
   96    HD2  LYS  12           HD3      LYS  12   4.432   3.844  -4.303
   97    HD3  LYS  12           HD2      LYS  12   5.060   5.045  -3.174
   98    HE2  LYS  12           HE3      LYS  12   4.987   6.424  -4.944
   99    HE3  LYS  12           HE2      LYS  12   6.487   5.624  -5.411
  100    HZ1  LYS  12           HZ1      LYS  12   5.157   5.518  -7.298
  101    HZ2  LYS  12           HZ2      LYS  12   3.756   5.145  -6.428
  102    HZ3  LYS  12           HZ3      LYS  12   4.972   3.984  -6.609
  Start of MODEL   13
    1    H1   SER   1           HT1      SER   1   8.392   3.274   4.261
    2    H2   SER   1           HT2      SER   1   7.429   3.900   2.985
    3    H3   SER   1           HT3      SER   1   8.013   2.288   2.912
    4    HA   SER   1           HA       SER   1   6.742   1.851   4.971
    5    HB2  SER   1           HB3      SER   1   6.478   4.203   5.625
    6    HB3  SER   1           HB2      SER   1   5.531   4.512   4.170
    7    HG   SER   1           HG       SER   1   3.848   3.757   5.158
    8    H    TRP   2           H        TRP   2   4.083   1.805   4.661
    9    HA   TRP   2           HA       TRP   2   3.741   0.700   1.957
   10    HB2  TRP   2           HB3      TRP   2   2.804  -0.157   4.643
   11    HB3  TRP   2           HB2      TRP   2   1.692  -0.403   3.303
   12    HD1  TRP   2           HD1      TRP   2   4.884  -1.753   4.799
   13    HE1  TRP   2           HE1      TRP   2   5.680  -3.788   3.438
   14    HE3  TRP   2           HE3      TRP   2   1.651  -1.411   0.847
   15    HZ2  TRP   2           HZ2      TRP   2   5.032  -5.066   1.000
   16    HZ3  TRP   2           HZ3      TRP   2   1.820  -3.041  -0.953
   17    HH2  TRP   2           HH2      TRP   2   3.467  -4.852  -0.884
   18    H    THR   3           H        THR   3   1.779   1.069   0.818
   19    HA   THR   3           HA       THR   3   0.310   3.441   1.797
   20    HB   THR   3           HB       THR   3   0.249   2.841  -1.098
   21    HG1  THR   3           HG1      THR   3   2.368   2.553  -1.017
   22   HG21  THR   3          HG21      THR   3  -0.395   4.947  -1.182
   23   HG22  THR   3          HG22      THR   3   1.143   5.460  -0.486
   24   HG23  THR   3          HG23      THR   3  -0.217   5.071   0.568
   25    H    TRP   4           H        TRP   4  -1.727   3.084   2.305
   26    HA   TRP   4           HA       TRP   4  -3.066   0.678   1.330
   27    HB2  TRP   4           HB3      TRP   4  -2.982   1.407   3.805
   28    HB3  TRP   4           HB2      TRP   4  -4.123   2.621   3.339
   29    HD1  TRP   4           HD1      TRP   4  -6.276   1.868   4.417
   30    HE1  TRP   4           HE1      TRP   4  -7.697  -0.292   4.364
   31    HE3  TRP   4           HE3      TRP   4  -3.060  -1.048   1.883
   32    HZ2  TRP   4           HZ2      TRP   4  -7.430  -2.929   3.344
   33    HZ3  TRP   4           HZ3      TRP   4  -3.663  -3.397   1.387
   34    HH2  TRP   4           HH2      TRP   4  -5.811  -4.315   2.113
   35    H    GLU   5           H        GLU   5  -4.442   0.786  -0.337
   36    HA   GLU   5           HA       GLU   5  -5.994   3.236  -0.734
   37    HB2  GLU   5           HB3      GLU   5  -3.789   2.884  -2.215
   38    HB3  GLU   5           HB2      GLU   5  -4.925   1.961  -3.189
   39    HG2  GLU   5           HG3      GLU   5  -5.037   4.065  -4.123
   40    HG3  GLU   5           HG2      GLU   5  -6.420   4.051  -3.029
   41    H    ASN   6           H        ASN   6  -8.041   2.664  -0.693
   42    HA   ASN   6           HA       ASN   6  -9.955   1.439  -0.860
   43    HB2  ASN   6           HB3      ASN   6  -8.666   1.515  -3.507
   44    HB3  ASN   6           HB2      ASN   6  -9.931   0.295  -3.330
   45   HD21  ASN   6          HD21      ASN   6 -11.717   1.467  -1.706
   46   HD22  ASN   6          HD22      ASN   6 -12.368   2.889  -2.436
   47    H    GLY   7           H        GLY   7  -8.171  -0.032   0.625
   48    HA2  GLY   7           HA3      GLY   7  -8.189  -2.183   1.480
   49    HA3  GLY   7           HA2      GLY   7  -9.150  -2.690   0.099
   50    H    LYS   8           H        LYS   8  -6.233  -1.009  -0.653
   51    HA   LYS   8           HA       LYS   8  -4.828  -3.556  -1.048
   52    HB2  LYS   8           HB3      LYS   8  -5.969  -2.757  -3.149
   53    HB3  LYS   8           HB2      LYS   8  -4.911  -1.357  -3.110
   54    HG2  LYS   8           HG3      LYS   8  -4.223  -3.243  -4.628
   55    HG3  LYS   8           HG2      LYS   8  -2.999  -2.648  -3.510
   56    HD2  LYS   8           HD3      LYS   8  -3.128  -5.150  -3.733
   57    HD3  LYS   8           HD2      LYS   8  -3.257  -4.537  -2.089
   58    HE2  LYS   8           HE3      LYS   8  -5.877  -4.674  -3.165
   59    HE3  LYS   8           HE2      LYS   8  -5.068  -6.196  -3.527
   60    HZ1  LYS   8           HZ1      LYS   8  -4.472  -5.512  -0.881
   61    HZ2  LYS   8           HZ2      LYS   8  -5.395  -6.814  -1.442
   62    HZ3  LYS   8           HZ3      LYS   8  -6.144  -5.341  -1.086
   63    H    TRP   9           H        TRP   9  -2.662  -3.519  -0.732
   64    HA   TRP   9           HA       TRP   9  -1.533  -1.076   0.410
   65    HB2  TRP   9           HB3      TRP   9  -0.981  -3.981   0.623
   66    HB3  TRP   9           HB2      TRP   9   0.338  -2.902   0.882
   67    HD1  TRP   9           HD1      TRP   9  -1.974  -4.661   2.764
   68    HE1  TRP   9           HE1      TRP   9  -2.420  -3.585   5.079
   69    HE3  TRP   9           HE3      TRP   9  -0.074  -0.098   1.803
   70    HZ2  TRP   9           HZ2      TRP   9  -1.986  -1.048   6.302
   71    HZ3  TRP   9           HZ3      TRP   9  -0.118   1.621   3.546
   72    HH2  TRP   9           HH2      TRP   9  -1.035   1.156   5.753
   73    H    THR  10           H        THR  10   0.300  -0.100  -0.356
   74    HA   THR  10           HA       THR  10   1.470  -1.176  -2.830
   75    HB   THR  10           HB       THR  10   1.600   1.715  -2.731
   76    HG1  THR  10           HG1      THR  10  -0.990   0.562  -2.774
   77   HG21  THR  10          HG21      THR  10   1.701   1.293  -4.895
   78   HG22  THR  10          HG22      THR  10  -0.023   0.925  -4.852
   79   HG23  THR  10          HG23      THR  10   1.160  -0.367  -4.650
   80    H    TRP  11           H        TRP  11   3.589  -1.471  -2.678
   81    HA   TRP  11           HA       TRP  11   5.007  -0.339  -0.405
   82    HB2  TRP  11           HB3      TRP  11   5.307  -2.708  -0.815
   83    HB3  TRP  11           HB2      TRP  11   5.838  -2.392  -2.464
   84    HD1  TRP  11           HD1      TRP  11   8.371  -2.587  -2.705
   85    HE1  TRP  11           HE1      TRP  11  10.415  -2.166  -1.198
   86    HE3  TRP  11           HE3      TRP  11   5.958  -0.972   1.499
   87    HZ2  TRP  11           HZ2      TRP  11  10.935  -1.264   1.428
   88    HZ3  TRP  11           HZ3      TRP  11   7.299  -0.346   3.462
   89    HH2  TRP  11           HH2      TRP  11   9.736  -0.490   3.428
   90    H    LYS  12           H        LYS  12   7.005   0.768  -0.595
   91    HA   LYS  12           HA       LYS  12   8.069   1.600  -3.090
   92    HB2  LYS  12           HB3      LYS  12   6.028   3.304  -1.797
   93    HB3  LYS  12           HB2      LYS  12   7.486   4.135  -2.321
   94    HG2  LYS  12           HG3      LYS  12   6.805   4.121  -4.426
   95    HG3  LYS  12           HG2      LYS  12   6.575   2.372  -4.390
   96    HD2  LYS  12           HD3      LYS  12   4.421   2.983  -4.783
   97    HD3  LYS  12           HD2      LYS  12   4.403   3.097  -3.022
   98    HE2  LYS  12           HE3      LYS  12   5.296   5.512  -4.455
   99    HE3  LYS  12           HE2      LYS  12   3.602   5.076  -4.675
  100    HZ1  LYS  12           HZ1      LYS  12   3.470   4.946  -2.191
  101    HZ2  LYS  12           HZ2      LYS  12   3.712   6.500  -2.814
  102    HZ3  LYS  12           HZ3      LYS  12   5.006   5.653  -2.129
  Start of MODEL   14
    1    H1   SER   1           HT1      SER   1   8.276   3.668   4.226
    2    H2   SER   1           HT2      SER   1   7.362   3.912   2.794
    3    H3   SER   1           HT3      SER   1   8.158   2.416   3.062
    4    HA   SER   1           HA       SER   1   6.767   1.956   4.912
    5    HB2  SER   1           HB3      SER   1   4.708   3.699   4.915
    6    HB3  SER   1           HB2      SER   1   6.131   3.898   5.938
    7    HG   SER   1           HG       SER   1   5.805   5.815   4.869
    8    H    TRP   2           H        TRP   2   4.132   1.808   4.632
    9    HA   TRP   2           HA       TRP   2   3.787   0.786   1.898
   10    HB2  TRP   2           HB3      TRP   2   2.869  -0.135   4.569
   11    HB3  TRP   2           HB2      TRP   2   1.756  -0.370   3.228
   12    HD1  TRP   2           HD1      TRP   2   4.982  -1.696   4.678
   13    HE1  TRP   2           HE1      TRP   2   5.789  -3.704   3.284
   14    HE3  TRP   2           HE3      TRP   2   1.700  -1.351   0.768
   15    HZ2  TRP   2           HZ2      TRP   2   5.128  -4.963   0.839
   16    HZ3  TRP   2           HZ3      TRP   2   1.868  -2.957  -1.053
   17    HH2  TRP   2           HH2      TRP   2   3.538  -4.747  -1.024
   18    H    THR   3           H        THR   3   1.789   1.124   0.789
   19    HA   THR   3           HA       THR   3   0.303   3.466   1.813
   20    HB   THR   3           HB       THR   3   0.541   2.756  -1.102
   21    HG1  THR   3           HG1      THR   3   2.641   3.075  -0.351
   22   HG21  THR   3          HG21      THR   3  -0.604   4.961   0.414
   23   HG22  THR   3          HG22      THR   3  -0.903   4.440  -1.244
   24   HG23  THR   3          HG23      THR   3   0.479   5.474  -0.880
   25    H    TRP   4           H        TRP   4  -1.723   3.075   2.330
   26    HA   TRP   4           HA       TRP   4  -3.039   0.667   1.330
   27    HB2  TRP   4           HB3      TRP   4  -2.940   1.359   3.815
   28    HB3  TRP   4           HB2      TRP   4  -4.102   2.564   3.380
   29    HD1  TRP   4           HD1      TRP   4  -6.237   1.766   4.459
   30    HE1  TRP   4           HE1      TRP   4  -7.628  -0.413   4.388
   31    HE3  TRP   4           HE3      TRP   4  -2.998  -1.069   1.865
   32    HZ2  TRP   4           HZ2      TRP   4  -7.330  -3.033   3.331
   33    HZ3  TRP   4           HZ3      TRP   4  -3.569  -3.420   1.342
   34    HH2  TRP   4           HH2      TRP   4  -5.699  -4.379   2.071
   35    H    GLU   5           H        GLU   5  -4.433   0.782  -0.321
   36    HA   GLU   5           HA       GLU   5  -6.024   3.214  -0.664
   37    HB2  GLU   5           HB3      GLU   5  -4.038   2.110  -2.572
   38    HB3  GLU   5           HB2      GLU   5  -5.550   2.699  -3.249
   39    HG2  GLU   5           HG3      GLU   5  -4.231   4.481  -1.313
   40    HG3  GLU   5           HG2      GLU   5  -3.386   4.234  -2.841
   41    H    ASN   6           H        ASN   6  -8.064   2.615  -0.617
   42    HA   ASN   6           HA       ASN   6  -9.963   1.364  -0.783
   43    HB2  ASN   6           HB3      ASN   6  -9.022   2.020  -3.280
   44    HB3  ASN   6           HB2      ASN   6  -9.314   0.284  -3.427
   45   HD21  ASN   6          HD21      ASN   6 -10.975   2.832  -1.610
   46   HD22  ASN   6          HD22      ASN   6 -12.527   2.562  -2.318
   47    H    GLY   7           H        GLY   7  -8.144  -0.098   0.672
   48    HA2  GLY   7           HA3      GLY   7  -8.121  -2.258   1.502
   49    HA3  GLY   7           HA2      GLY   7  -9.090  -2.762   0.125
   50    H    LYS   8           H        LYS   8  -6.205  -1.032  -0.637
   51    HA   LYS   8           HA       LYS   8  -4.770  -3.554  -1.078
   52    HB2  LYS   8           HB3      LYS   8  -5.943  -2.749  -3.158
   53    HB3  LYS   8           HB2      LYS   8  -4.907  -1.332  -3.112
   54    HG2  LYS   8           HG3      LYS   8  -4.204  -3.188  -4.660
   55    HG3  LYS   8           HG2      LYS   8  -2.979  -2.589  -3.546
   56    HD2  LYS   8           HD3      LYS   8  -3.071  -5.089  -3.801
   57    HD3  LYS   8           HD2      LYS   8  -3.196  -4.499  -2.147
   58    HE2  LYS   8           HE3      LYS   8  -5.822  -4.664  -3.206
   59    HE3  LYS   8           HE2      LYS   8  -4.992  -6.169  -3.590
   60    HZ1  LYS   8           HZ1      LYS   8  -4.386  -5.507  -0.942
   61    HZ2  LYS   8           HZ2      LYS   8  -5.300  -6.813  -1.509
   62    HZ3  LYS   8           HZ3      LYS   8  -6.062  -5.352  -1.131
   63    H    TRP   9           H        TRP   9  -2.602  -3.494  -0.785
   64    HA   TRP   9           HA       TRP   9  -1.489  -1.051   0.373
   65    HB2  TRP   9           HB3      TRP   9  -0.897  -3.952   0.540
   66    HB3  TRP   9           HB2      TRP   9   0.410  -2.859   0.798
   67    HD1  TRP   9           HD1      TRP   9  -1.852  -4.677   2.683
   68    HE1  TRP   9           HE1      TRP   9  -2.285  -3.641   5.018
   69    HE3  TRP   9           HE3      TRP   9  -0.032  -0.073   1.764
   70    HZ2  TRP   9           HZ2      TRP   9  -1.873  -1.115   6.271
   71    HZ3  TRP   9           HZ3      TRP   9  -0.079   1.621   3.531
   72    HH2  TRP   9           HH2      TRP   9  -0.962   1.110   5.743
   73    H    THR  10           H        THR  10   0.333  -0.049  -0.403
   74    HA   THR  10           HA       THR  10   1.468  -1.079  -2.913
   75    HB   THR  10           HB       THR  10   1.582   1.811  -2.780
   76    HG1  THR  10           HG1      THR  10  -0.599   2.231  -2.939
   77   HG21  THR  10          HG21      THR  10  -0.084   1.034  -4.874
   78   HG22  THR  10          HG22      THR  10   1.114  -0.251  -4.713
   79   HG23  THR  10          HG23      THR  10   1.636   1.417  -4.951
   80    H    TRP  11           H        TRP  11   3.591  -1.357  -2.810
   81    HA   TRP  11           HA       TRP  11   5.050  -0.238  -0.555
   82    HB2  TRP  11           HB3      TRP  11   5.319  -2.615  -1.003
   83    HB3  TRP  11           HB2      TRP  11   5.868  -2.270  -2.640
   84    HD1  TRP  11           HD1      TRP  11   8.397  -2.543  -2.833
   85    HE1  TRP  11           HE1      TRP  11  10.429  -2.133  -1.306
   86    HE3  TRP  11           HE3      TRP  11   5.957  -0.832   1.317
   87    HZ2  TRP  11           HZ2      TRP  11  10.929  -1.204   1.314
   88    HZ3  TRP  11           HZ3      TRP  11   7.282  -0.203   3.289
   89    HH2  TRP  11           HH2      TRP  11   9.717  -0.385   3.289
   90    H    LYS  12           H        LYS  12   7.025   0.893  -0.775
   91    HA   LYS  12           HA       LYS  12   8.246   1.651  -3.152
   92    HB2  LYS  12           HB3      LYS  12   7.430   4.093  -3.171
   93    HB3  LYS  12           HB2      LYS  12   6.394   2.871  -3.894
   94    HG2  LYS  12           HG3      LYS  12   5.723   3.111  -1.138
   95    HG3  LYS  12           HG2      LYS  12   5.772   4.722  -1.854
   96    HD2  LYS  12           HD3      LYS  12   4.223   2.367  -2.932
   97    HD3  LYS  12           HD2      LYS  12   3.540   3.714  -2.020
   98    HE2  LYS  12           HE3      LYS  12   5.139   4.370  -4.427
   99    HE3  LYS  12           HE2      LYS  12   3.556   3.639  -4.685
  100    HZ1  LYS  12           HZ1      LYS  12   4.241   6.268  -3.645
  101    HZ2  LYS  12           HZ2      LYS  12   2.930   5.496  -2.905
  102    HZ3  LYS  12           HZ3      LYS  12   2.911   5.782  -4.572
  Start of MODEL   15
    1    H1   SER   1           HT1      SER   1   7.753   3.625   2.506
    2    H2   SER   1           HT2      SER   1   8.121   1.969   2.768
    3    H3   SER   1           HT3      SER   1   8.608   3.150   3.914
    4    HA   SER   1           HA       SER   1   6.768   2.071   4.797
    5    HB2  SER   1           HB3      SER   1   5.045   4.080   4.488
    6    HB3  SER   1           HB2      SER   1   6.546   4.287   5.391
    7    HG   SER   1           HG       SER   1   6.935   5.815   4.010
    8    H    TRP   2           H        TRP   2   4.297   1.878   4.596
    9    HA   TRP   2           HA       TRP   2   3.709   0.787   1.932
   10    HB2  TRP   2           HB3      TRP   2   2.915   0.011   4.701
   11    HB3  TRP   2           HB2      TRP   2   1.766  -0.297   3.404
   12    HD1  TRP   2           HD1      TRP   2   4.972  -1.593   4.891
   13    HE1  TRP   2           HE1      TRP   2   5.780  -3.645   3.565
   14    HE3  TRP   2           HE3      TRP   2   1.740  -1.334   0.935
   15    HZ2  TRP   2           HZ2      TRP   2   5.136  -4.968   1.147
   16    HZ3  TRP   2           HZ3      TRP   2   1.915  -2.985  -0.835
   17    HH2  TRP   2           HH2      TRP   2   3.569  -4.790  -0.740
   18    H    THR   3           H        THR   3   1.664   1.172   0.945
   19    HA   THR   3           HA       THR   3   0.213   3.469   2.113
   20    HB   THR   3           HB       THR   3   1.397   4.416   0.303
   21    HG1  THR   3           HG1      THR   3  -0.249   5.062  -1.005
   22   HG21  THR   3          HG21      THR   3   2.283   2.999  -1.170
   23   HG22  THR   3          HG22      THR   3   0.769   3.225  -2.046
   24   HG23  THR   3          HG23      THR   3   0.975   1.832  -0.985
   25    H    TRP   4           H        TRP   4  -1.797   3.032   2.546
   26    HA   TRP   4           HA       TRP   4  -3.077   0.681   1.413
   27    HB2  TRP   4           HB3      TRP   4  -3.078   1.347   3.904
   28    HB3  TRP   4           HB2      TRP   4  -4.225   2.553   3.438
   29    HD1  TRP   4           HD1      TRP   4  -6.405   1.735   4.416
   30    HE1  TRP   4           HE1      TRP   4  -7.773  -0.455   4.273
   31    HE3  TRP   4           HE3      TRP   4  -3.038  -1.052   1.941
   32    HZ2  TRP   4           HZ2      TRP   4  -7.408  -3.066   3.212
   33    HZ3  TRP   4           HZ3      TRP   4  -3.563  -3.406   1.381
   34    HH2  TRP   4           HH2      TRP   4  -5.713  -4.389   2.013
   35    H    GLU   5           H        GLU   5  -4.404   0.807  -0.293
   36    HA   GLU   5           HA       GLU   5  -5.985   3.242  -0.674
   37    HB2  GLU   5           HB3      GLU   5  -5.453   3.266  -3.082
   38    HB3  GLU   5           HB2      GLU   5  -4.038   3.555  -2.078
   39    HG2  GLU   5           HG3      GLU   5  -3.631   1.019  -2.330
   40    HG3  GLU   5           HG2      GLU   5  -4.745   1.143  -3.691
   41    H    ASN   6           H        ASN   6  -8.019   2.622  -0.675
   42    HA   ASN   6           HA       ASN   6  -9.915   1.391  -0.949
   43    HB2  ASN   6           HB3      ASN   6  -8.861   2.031  -3.404
   44    HB3  ASN   6           HB2      ASN   6  -9.144   0.294  -3.554
   45   HD21  ASN   6          HD21      ASN   6 -10.889   2.851  -1.831
   46   HD22  ASN   6          HD22      ASN   6 -12.406   2.577  -2.608
   47    H    GLY   7           H        GLY   7  -8.169  -0.064   0.599
   48    HA2  GLY   7           HA3      GLY   7  -8.165  -2.215   1.440
   49    HA3  GLY   7           HA2      GLY   7  -9.101  -2.726   0.043
   50    H    LYS   8           H        LYS   8  -6.197  -1.015  -0.674
   51    HA   LYS   8           HA       LYS   8  -4.757  -3.550  -1.040
   52    HB2  LYS   8           HB3      LYS   8  -5.817  -2.910  -3.178
   53    HB3  LYS   8           HB2      LYS   8  -4.960  -1.375  -3.127
   54    HG2  LYS   8           HG3      LYS   8  -3.698  -2.691  -4.570
   55    HG3  LYS   8           HG2      LYS   8  -2.825  -2.776  -3.039
   56    HD2  LYS   8           HD3      LYS   8  -4.669  -4.872  -2.948
   57    HD3  LYS   8           HD2      LYS   8  -4.030  -4.892  -4.592
   58    HE2  LYS   8           HE3      LYS   8  -2.339  -6.069  -3.717
   59    HE3  LYS   8           HE2      LYS   8  -1.768  -4.515  -3.110
   60    HZ1  LYS   8           HZ1      LYS   8  -3.492  -5.221  -1.197
   61    HZ2  LYS   8           HZ2      LYS   8  -1.838  -5.572  -1.148
   62    HZ3  LYS   8           HZ3      LYS   8  -2.934  -6.745  -1.677
   63    H    TRP   9           H        TRP   9  -2.595  -3.501  -0.726
   64    HA   TRP   9           HA       TRP   9  -1.457  -1.022   0.362
   65    HB2  TRP   9           HB3      TRP   9  -0.879  -3.929   0.640
   66    HB3  TRP   9           HB2      TRP   9   0.415  -2.822   0.885
   67    HD1  TRP   9           HD1      TRP   9  -1.839  -4.618   2.790
   68    HE1  TRP   9           HE1      TRP   9  -2.302  -3.535   5.098
   69    HE3  TRP   9           HE3      TRP   9  -0.066  -0.015   1.781
   70    HZ2  TRP   9           HZ2      TRP   9  -1.927  -0.978   6.299
   71    HZ3  TRP   9           HZ3      TRP   9  -0.148   1.717   3.510
   72    HH2  TRP   9           HH2      TRP   9  -1.036   1.244   5.728
   73    H    THR  10           H        THR  10   0.352  -0.061  -0.506
   74    HA   THR  10           HA       THR  10   1.524  -1.311  -2.895
   75    HB   THR  10           HB       THR  10   1.703   1.531  -3.138
   76    HG1  THR  10           HG1      THR  10  -0.941   0.564  -2.798
   77   HG21  THR  10          HG21      THR  10   0.968  -0.726  -4.734
   78   HG22  THR  10          HG22      THR  10   1.543   0.865  -5.235
   79   HG23  THR  10          HG23      THR  10  -0.180   0.591  -4.973
   80    H    TRP  11           H        TRP  11   3.642  -1.575  -2.728
   81    HA   TRP  11           HA       TRP  11   5.048  -0.304  -0.527
   82    HB2  TRP  11           HB3      TRP  11   5.348  -2.691  -0.832
   83    HB3  TRP  11           HB2      TRP  11   5.909  -2.442  -2.484
   84    HD1  TRP  11           HD1      TRP  11   8.447  -2.654  -2.663
   85    HE1  TRP  11           HE1      TRP  11  10.460  -2.163  -1.136
   86    HE3  TRP  11           HE3      TRP  11   5.949  -0.846   1.408
   87    HZ2  TRP  11           HZ2      TRP  11  10.926  -1.139   1.456
   88    HZ3  TRP  11           HZ3      TRP  11   7.246  -0.130   3.366
   89    HH2  TRP  11           HH2      TRP  11   9.685  -0.274   3.392
   90    H    LYS  12           H        LYS  12   6.964   0.878  -0.732
   91    HA   LYS  12           HA       LYS  12   8.240   1.525  -3.134
   92    HB2  LYS  12           HB3      LYS  12   5.815   2.703  -3.170
   93    HB3  LYS  12           HB2      LYS  12   6.732   3.946  -2.330
   94    HG2  LYS  12           HG3      LYS  12   7.206   4.681  -4.384
   95    HG3  LYS  12           HG2      LYS  12   8.393   3.375  -4.400
   96    HD2  LYS  12           HD3      LYS  12   7.349   2.628  -6.227
   97    HD3  LYS  12           HD2      LYS  12   6.043   2.128  -5.152
   98    HE2  LYS  12           HE3      LYS  12   6.270   4.644  -6.779
   99    HE3  LYS  12           HE2      LYS  12   5.019   3.403  -6.848
  100    HZ1  LYS  12           HZ1      LYS  12   3.923   4.914  -5.605
  101    HZ2  LYS  12           HZ2      LYS  12   5.330   5.623  -4.992
  102    HZ3  LYS  12           HZ3      LYS  12   4.759   4.174  -4.334
  Start of MODEL   16
    1    H1   SER   1           HT1      SER   1   8.394   3.230   4.546
    2    H2   SER   1           HT2      SER   1   7.602   3.702   3.098
    3    H3   SER   1           HT3      SER   1   8.122   2.079   3.305
    4    HA   SER   1           HA       SER   1   6.612   1.894   5.194
    5    HB2  SER   1           HB3      SER   1   6.110   4.706   4.325
    6    HB3  SER   1           HB2      SER   1   4.741   3.772   4.927
    7    HG   SER   1           HG       SER   1   5.879   4.945   6.574
    8    H    TRP   2           H        TRP   2   4.061   1.803   4.723
    9    HA   TRP   2           HA       TRP   2   3.826   0.727   1.995
   10    HB2  TRP   2           HB3      TRP   2   2.798  -0.166   4.633
   11    HB3  TRP   2           HB2      TRP   2   1.727  -0.390   3.256
   12    HD1  TRP   2           HD1      TRP   2   4.948  -1.702   4.771
   13    HE1  TRP   2           HE1      TRP   2   5.751  -3.742   3.423
   14    HE3  TRP   2           HE3      TRP   2   1.650  -1.453   0.865
   15    HZ2  TRP   2           HZ2      TRP   2   5.083  -5.060   1.011
   16    HZ3  TRP   2           HZ3      TRP   2   1.816  -3.101  -0.917
   17    HH2  TRP   2           HH2      TRP   2   3.486  -4.890  -0.851
   18    H    THR   3           H        THR   3   1.817   1.023   0.844
   19    HA   THR   3           HA       THR   3   0.367   3.432   1.757
   20    HB   THR   3           HB       THR   3   0.285   2.813  -1.122
   21    HG1  THR   3           HG1      THR   3   2.399   2.391  -1.001
   22   HG21  THR   3          HG21      THR   3   0.433   5.203   0.607
   23   HG22  THR   3          HG22      THR   3  -0.562   4.883  -0.814
   24   HG23  THR   3          HG23      THR   3   1.134   5.324  -1.007
   25    H    TRP   4           H        TRP   4  -1.672   3.100   2.257
   26    HA   TRP   4           HA       TRP   4  -3.026   0.687   1.317
   27    HB2  TRP   4           HB3      TRP   4  -2.944   1.447   3.781
   28    HB3  TRP   4           HB2      TRP   4  -4.067   2.671   3.297
   29    HD1  TRP   4           HD1      TRP   4  -6.236   1.963   4.372
   30    HE1  TRP   4           HE1      TRP   4  -7.685  -0.178   4.347
   31    HE3  TRP   4           HE3      TRP   4  -3.046  -1.033   1.901
   32    HZ2  TRP   4           HZ2      TRP   4  -7.447  -2.835   3.370
   33    HZ3  TRP   4           HZ3      TRP   4  -3.676  -3.382   1.439
   34    HH2  TRP   4           HH2      TRP   4  -5.839  -4.261   2.169
   35    H    GLU   5           H        GLU   5  -4.398   0.784  -0.356
   36    HA   GLU   5           HA       GLU   5  -5.925   3.243  -0.792
   37    HB2  GLU   5           HB3      GLU   5  -3.730   2.903  -2.252
   38    HB3  GLU   5           HB2      GLU   5  -4.815   1.897  -3.203
   39    HG2  GLU   5           HG3      GLU   5  -5.821   4.570  -2.469
   40    HG3  GLU   5           HG2      GLU   5  -4.481   4.519  -3.614
   41    H    ASN   6           H        ASN   6  -7.979   2.700  -0.760
   42    HA   ASN   6           HA       ASN   6  -9.908   1.495  -0.915
   43    HB2  ASN   6           HB3      ASN   6  -8.815   1.951  -3.452
   44    HB3  ASN   6           HB2      ASN   6  -9.393   0.283  -3.490
   45   HD21  ASN   6          HD21      ASN   6 -11.530   0.599  -1.669
   46   HD22  ASN   6          HD22      ASN   6 -12.744   1.556  -2.437
   47    H    GLY   7           H        GLY   7  -8.150   0.031   0.609
   48    HA2  GLY   7           HA3      GLY   7  -8.196  -2.102   1.505
   49    HA3  GLY   7           HA2      GLY   7  -9.163  -2.622   0.132
   50    H    LYS   8           H        LYS   8  -6.222  -0.997  -0.646
   51    HA   LYS   8           HA       LYS   8  -4.851  -3.571  -0.990
   52    HB2  LYS   8           HB3      LYS   8  -5.957  -2.847  -3.114
   53    HB3  LYS   8           HB2      LYS   8  -4.952  -1.408  -3.093
   54    HG2  LYS   8           HG3      LYS   8  -4.173  -3.268  -4.583
   55    HG3  LYS   8           HG2      LYS   8  -2.984  -2.648  -3.441
   56    HD2  LYS   8           HD3      LYS   8  -3.055  -5.153  -3.676
   57    HD3  LYS   8           HD2      LYS   8  -3.219  -4.547  -2.032
   58    HE2  LYS   8           HE3      LYS   8  -5.817  -4.751  -3.179
   59    HE3  LYS   8           HE2      LYS   8  -4.959  -6.261  -3.472
   60    HZ1  LYS   8           HZ1      LYS   8  -6.111  -5.334  -1.077
   61    HZ2  LYS   8           HZ2      LYS   8  -4.447  -5.522  -0.836
   62    HZ3  LYS   8           HZ3      LYS   8  -5.375  -6.825  -1.387
   63    H    TRP   9           H        TRP   9  -2.686  -3.558  -0.670
   64    HA   TRP   9           HA       TRP   9  -1.520  -1.106   0.419
   65    HB2  TRP   9           HB3      TRP   9  -0.999  -4.015   0.689
   66    HB3  TRP   9           HB2      TRP   9   0.329  -2.942   0.928
   67    HD1  TRP   9           HD1      TRP   9  -2.005  -4.644   2.840
   68    HE1  TRP   9           HE1      TRP   9  -2.440  -3.523   5.135
   69    HE3  TRP   9           HE3      TRP   9  -0.048  -0.124   1.800
   70    HZ2  TRP   9           HZ2      TRP   9  -1.975  -0.970   6.314
   71    HZ3  TRP   9           HZ3      TRP   9  -0.071   1.626   3.512
   72    HH2  TRP   9           HH2      TRP   9  -0.995   1.212   5.727
   73    H    THR  10           H        THR  10   0.270  -0.134  -0.419
   74    HA   THR  10           HA       THR  10   1.456  -1.317  -2.836
   75    HB   THR  10           HB       THR  10   1.463   1.612  -2.788
   76    HG1  THR  10           HG1      THR  10  -0.614   1.233  -1.905
   77   HG21  THR  10          HG21      THR  10   1.725   1.258  -4.948
   78   HG22  THR  10          HG22      THR  10   0.110   0.553  -5.032
   79   HG23  THR  10          HG23      THR  10   1.505  -0.474  -4.699
   80    H    TRP  11           H        TRP  11   3.576  -1.577  -2.666
   81    HA   TRP  11           HA       TRP  11   4.975  -0.352  -0.439
   82    HB2  TRP  11           HB3      TRP  11   5.309  -2.727  -0.825
   83    HB3  TRP  11           HB2      TRP  11   5.869  -2.411  -2.465
   84    HD1  TRP  11           HD1      TRP  11   8.408  -2.605  -2.633
   85    HE1  TRP  11           HE1      TRP  11  10.411  -2.117  -1.092
   86    HE3  TRP  11           HE3      TRP  11   5.878  -0.902   1.466
   87    HZ2  TRP  11           HZ2      TRP  11  10.858  -1.136   1.519
   88    HZ3  TRP  11           HZ3      TRP  11   7.164  -0.207   3.441
   89    HH2  TRP  11           HH2      TRP  11   9.603  -0.321   3.468
   90    H    LYS  12           H        LYS  12   6.948   0.797  -0.650
   91    HA   LYS  12           HA       LYS  12   8.091   1.570  -3.094
   92    HB2  LYS  12           HB3      LYS  12   5.751   3.092  -2.267
   93    HB3  LYS  12           HB2      LYS  12   7.172   4.114  -2.434
   94    HG2  LYS  12           HG3      LYS  12   7.318   3.787  -4.684
   95    HG3  LYS  12           HG2      LYS  12   6.576   2.188  -4.613
   96    HD2  LYS  12           HD3      LYS  12   4.447   3.023  -4.658
   97    HD3  LYS  12           HD2      LYS  12   4.908   4.533  -3.870
   98    HE2  LYS  12           HE3      LYS  12   4.250   4.761  -6.274
   99    HE3  LYS  12           HE2      LYS  12   5.852   5.386  -5.883
  100    HZ1  LYS  12           HZ1      LYS  12   5.387   2.679  -7.002
  101    HZ2  LYS  12           HZ2      LYS  12   6.865   3.484  -6.837
  102    HZ3  LYS  12           HZ3      LYS  12   5.723   4.035  -7.957
  Start of MODEL   17
    1    H1   SER   1           HT1      SER   1   8.234   3.739   4.153
    2    H2   SER   1           HT2      SER   1   7.372   3.645   2.672
    3    H3   SER   1           HT3      SER   1   8.244   2.283   3.249
    4    HA   SER   1           HA       SER   1   6.786   1.925   4.977
    5    HB2  SER   1           HB3      SER   1   6.625   4.599   5.155
    6    HB3  SER   1           HB2      SER   1   5.091   4.289   4.343
    7    HG   SER   1           HG       SER   1   5.891   3.682   6.916
    8    H    TRP   2           H        TRP   2   4.136   1.879   4.776
    9    HA   TRP   2           HA       TRP   2   3.666   0.829   2.069
   10    HB2  TRP   2           HB3      TRP   2   2.813  -0.058   4.783
   11    HB3  TRP   2           HB2      TRP   2   1.694  -0.330   3.450
   12    HD1  TRP   2           HD1      TRP   2   4.945  -1.590   4.911
   13    HE1  TRP   2           HE1      TRP   2   5.788  -3.594   3.534
   14    HE3  TRP   2           HE3      TRP   2   1.650  -1.341   1.005
   15    HZ2  TRP   2           HZ2      TRP   2   5.145  -4.888   1.100
   16    HZ3  TRP   2           HZ3      TRP   2   1.845  -2.952  -0.799
   17    HH2  TRP   2           HH2      TRP   2   3.547  -4.715  -0.762
   18    H    THR   3           H        THR   3   1.604   1.172   1.065
   19    HA   THR   3           HA       THR   3   0.117   3.443   2.238
   20    HB   THR   3           HB       THR   3   1.382   4.369   0.437
   21    HG1  THR   3           HG1      THR   3  -1.214   3.840  -0.567
   22   HG21  THR   3          HG21      THR   3   0.560   3.253  -1.918
   23   HG22  THR   3          HG22      THR   3   0.826   1.847  -0.888
   24   HG23  THR   3          HG23      THR   3   2.128   3.008  -1.148
   25    H    TRP   4           H        TRP   4  -1.894   2.983   2.634
   26    HA   TRP   4           HA       TRP   4  -3.139   0.640   1.446
   27    HB2  TRP   4           HB3      TRP   4  -3.180   1.253   3.946
   28    HB3  TRP   4           HB2      TRP   4  -4.318   2.472   3.493
   29    HD1  TRP   4           HD1      TRP   4  -6.513   1.638   4.421
   30    HE1  TRP   4           HE1      TRP   4  -7.883  -0.546   4.216
   31    HE3  TRP   4           HE3      TRP   4  -3.117  -1.104   1.940
   32    HZ2  TRP   4           HZ2      TRP   4  -7.506  -3.136   3.109
   33    HZ3  TRP   4           HZ3      TRP   4  -3.637  -3.446   1.325
   34    HH2  TRP   4           HH2      TRP   4  -5.796  -4.438   1.909
   35    H    GLU   5           H        GLU   5  -4.445   0.788  -0.276
   36    HA   GLU   5           HA       GLU   5  -6.039   3.218  -0.633
   37    HB2  GLU   5           HB3      GLU   5  -3.935   3.388  -1.984
   38    HB3  GLU   5           HB2      GLU   5  -4.460   1.971  -2.883
   39    HG2  GLU   5           HG3      GLU   5  -5.015   3.885  -4.166
   40    HG3  GLU   5           HG2      GLU   5  -6.517   3.228  -3.517
   41    H    ASN   6           H        ASN   6  -8.073   2.612  -0.721
   42    HA   ASN   6           HA       ASN   6  -9.956   1.372  -1.036
   43    HB2  ASN   6           HB3      ASN   6  -8.516   1.512  -3.602
   44    HB3  ASN   6           HB2      ASN   6  -9.774   0.275  -3.519
   45   HD21  ASN   6          HD21      ASN   6 -11.665   1.398  -1.981
   46   HD22  ASN   6          HD22      ASN   6 -12.290   2.824  -2.724
   47    H    GLY   7           H        GLY   7  -8.238  -0.099   0.526
   48    HA2  GLY   7           HA3      GLY   7  -8.235  -2.261   1.338
   49    HA3  GLY   7           HA2      GLY   7  -9.152  -2.756  -0.078
   50    H    LYS   8           H        LYS   8  -6.240  -1.030  -0.729
   51    HA   LYS   8           HA       LYS   8  -4.790  -3.558  -1.112
   52    HB2  LYS   8           HB3      LYS   8  -5.832  -2.867  -3.253
   53    HB3  LYS   8           HB2      LYS   8  -4.944  -1.351  -3.169
   54    HG2  LYS   8           HG3      LYS   8  -3.544  -2.512  -4.519
   55    HG3  LYS   8           HG2      LYS   8  -2.882  -3.001  -2.958
   56    HD2  LYS   8           HD3      LYS   8  -4.786  -4.877  -3.263
   57    HD3  LYS   8           HD2      LYS   8  -4.396  -4.563  -4.955
   58    HE2  LYS   8           HE3      LYS   8  -2.861  -6.192  -4.494
   59    HE3  LYS   8           HE2      LYS   8  -1.923  -4.762  -4.068
   60    HZ1  LYS   8           HZ1      LYS   8  -3.083  -6.810  -2.336
   61    HZ2  LYS   8           HZ2      LYS   8  -3.031  -5.228  -1.740
   62    HZ3  LYS   8           HZ3      LYS   8  -1.602  -6.001  -2.211
   63    H    TRP   9           H        TRP   9  -2.633  -3.510  -0.762
   64    HA   TRP   9           HA       TRP   9  -1.517  -1.046   0.381
   65    HB2  TRP   9           HB3      TRP   9  -0.939  -3.956   0.620
   66    HB3  TRP   9           HB2      TRP   9   0.353  -2.854   0.896
   67    HD1  TRP   9           HD1      TRP   9  -1.921  -4.677   2.748
   68    HE1  TRP   9           HE1      TRP   9  -2.409  -3.630   5.067
   69    HE3  TRP   9           HE3      TRP   9  -0.138  -0.060   1.829
   70    HZ2  TRP   9           HZ2      TRP   9  -2.047  -1.092   6.311
   71    HZ3  TRP   9           HZ3      TRP   9  -0.238   1.645   3.583
   72    HH2  TRP   9           HH2      TRP   9  -1.150   1.139   5.784
   73    H    THR  10           H        THR  10   0.275  -0.048  -0.460
   74    HA   THR  10           HA       THR  10   1.510  -1.262  -2.837
   75    HB   THR  10           HB       THR  10   1.640   1.594  -3.031
   76    HG1  THR  10           HG1      THR  10  -0.578   2.022  -3.244
   77   HG21  THR  10          HG21      THR  10   1.669   0.852  -5.119
   78   HG22  THR  10          HG22      THR  10  -0.088   0.765  -4.991
   79   HG23  THR  10          HG23      THR  10   0.891  -0.669  -4.680
   80    H    TRP  11           H        TRP  11   3.630  -1.495  -2.623
   81    HA   TRP  11           HA       TRP  11   4.964  -0.201  -0.390
   82    HB2  TRP  11           HB3      TRP  11   5.378  -2.546  -0.593
   83    HB3  TRP  11           HB2      TRP  11   5.822  -2.384  -2.291
   84    HD1  TRP  11           HD1      TRP  11   8.348  -2.315  -2.726
   85    HE1  TRP  11           HE1      TRP  11  10.446  -1.779  -1.331
   86    HE3  TRP  11           HE3      TRP  11   6.078  -0.877   1.612
   87    HZ2  TRP  11           HZ2      TRP  11  11.052  -0.856   1.272
   88    HZ3  TRP  11           HZ3      TRP  11   7.478  -0.173   3.500
   89    HH2  TRP  11           HH2      TRP  11   9.915  -0.163   3.339
   90    H    LYS  12           H        LYS  12   6.938   0.931  -0.571
   91    HA   LYS  12           HA       LYS  12   7.709   1.843  -3.235
   92    HB2  LYS  12           HB3      LYS  12   7.236   3.853  -1.038
   93    HB3  LYS  12           HB2      LYS  12   7.549   4.163  -2.739
   94    HG2  LYS  12           HG3      LYS  12   5.087   2.708  -1.845
   95    HG3  LYS  12           HG2      LYS  12   5.166   4.469  -1.875
   96    HD2  LYS  12           HD3      LYS  12   5.733   4.399  -4.258
   97    HD3  LYS  12           HD2      LYS  12   5.640   2.637  -4.226
   98    HE2  LYS  12           HE3      LYS  12   3.516   2.971  -4.882
   99    HE3  LYS  12           HE2      LYS  12   3.233   3.297  -3.172
  100    HZ1  LYS  12           HZ1      LYS  12   2.993   5.498  -3.538
  101    HZ2  LYS  12           HZ2      LYS  12   2.546   4.982  -5.085
  102    HZ3  LYS  12           HZ3      LYS  12   4.116   5.544  -4.802
  Start of MODEL   18
    1    H1   SER   1           HT1      SER   1   7.354   3.733   2.592
    2    H2   SER   1           HT2      SER   1   8.276   2.403   3.163
    3    H3   SER   1           HT3      SER   1   8.182   3.846   4.088
    4    HA   SER   1           HA       SER   1   6.806   1.946   4.853
    5    HB2  SER   1           HB3      SER   1   6.513   4.634   5.029
    6    HB3  SER   1           HB2      SER   1   4.979   4.207   4.271
    7    HG   SER   1           HG       SER   1   4.362   3.219   6.046
    8    H    TRP   2           H        TRP   2   4.131   1.866   4.590
    9    HA   TRP   2           HA       TRP   2   3.769   0.799   1.873
   10    HB2  TRP   2           HB3      TRP   2   2.884  -0.114   4.558
   11    HB3  TRP   2           HB2      TRP   2   1.760  -0.362   3.229
   12    HD1  TRP   2           HD1      TRP   2   4.996  -1.673   4.664
   13    HE1  TRP   2           HE1      TRP   2   5.813  -3.672   3.263
   14    HE3  TRP   2           HE3      TRP   2   1.705  -1.337   0.759
   15    HZ2  TRP   2           HZ2      TRP   2   5.157  -4.927   0.816
   16    HZ3  TRP   2           HZ3      TRP   2   1.882  -2.936  -1.066
   17    HH2  TRP   2           HH2      TRP   2   3.563  -4.716  -1.044
   18    H    THR   3           H        THR   3   1.780   1.148   0.771
   19    HA   THR   3           HA       THR   3   0.282   3.475   1.813
   20    HB   THR   3           HB       THR   3   0.678   2.742  -1.091
   21    HG1  THR   3           HG1      THR   3   1.975   4.775   0.397
   22   HG21  THR   3          HG21      THR   3   0.107   5.217  -1.348
   23   HG22  THR   3          HG22      THR   3  -0.559   5.094   0.280
   24   HG23  THR   3          HG23      THR   3  -1.210   4.092  -1.018
   25    H    TRP   4           H        TRP   4  -1.739   3.072   2.333
   26    HA   TRP   4           HA       TRP   4  -3.048   0.662   1.327
   27    HB2  TRP   4           HB3      TRP   4  -2.948   1.348   3.815
   28    HB3  TRP   4           HB2      TRP   4  -4.115   2.551   3.384
   29    HD1  TRP   4           HD1      TRP   4  -6.248   1.743   4.460
   30    HE1  TRP   4           HE1      TRP   4  -7.631  -0.441   4.384
   31    HE3  TRP   4           HE3      TRP   4  -2.998  -1.074   1.863
   32    HZ2  TRP   4           HZ2      TRP   4  -7.322  -3.058   3.323
   33    HZ3  TRP   4           HZ3      TRP   4  -3.560  -3.427   1.334
   34    HH2  TRP   4           HH2      TRP   4  -5.686  -4.396   2.061
   35    H    GLU   5           H        GLU   5  -4.446   0.777  -0.321
   36    HA   GLU   5           HA       GLU   5  -6.042   3.209  -0.654
   37    HB2  GLU   5           HB3      GLU   5  -4.089   2.081  -2.596
   38    HB3  GLU   5           HB2      GLU   5  -5.586   2.748  -3.232
   39    HG2  GLU   5           HG3      GLU   5  -4.834   4.721  -1.545
   40    HG3  GLU   5           HG2      GLU   5  -3.265   4.096  -2.050
   41    H    ASN   6           H        ASN   6  -8.079   2.600  -0.594
   42    HA   ASN   6           HA       ASN   6  -9.976   1.346  -0.758
   43    HB2  ASN   6           HB3      ASN   6  -9.057   2.029  -3.254
   44    HB3  ASN   6           HB2      ASN   6  -9.335   0.292  -3.417
   45   HD21  ASN   6          HD21      ASN   6 -11.006   2.811  -1.568
   46   HD22  ASN   6          HD22      ASN   6 -12.560   2.534  -2.268
   47    H    GLY   7           H        GLY   7  -8.146  -0.122   0.673
   48    HA2  GLY   7           HA3      GLY   7  -8.116  -2.290   1.486
   49    HA3  GLY   7           HA2      GLY   7  -9.085  -2.786   0.107
   50    H    LYS   8           H        LYS   8  -6.202  -1.034  -0.621
   51    HA   LYS   8           HA       LYS   8  -4.760  -3.550  -1.101
   52    HB2  LYS   8           HB3      LYS   8  -5.831  -2.871  -3.205
   53    HB3  LYS   8           HB2      LYS   8  -5.045  -1.301  -3.100
   54    HG2  LYS   8           HG3      LYS   8  -3.600  -2.326  -4.509
   55    HG3  LYS   8           HG2      LYS   8  -2.874  -2.817  -2.977
   56    HD2  LYS   8           HD3      LYS   8  -4.817  -4.742  -3.472
   57    HD3  LYS   8           HD2      LYS   8  -4.095  -4.431  -5.052
   58    HE2  LYS   8           HE3      LYS   8  -2.559  -5.930  -4.380
   59    HE3  LYS   8           HE2      LYS   8  -1.882  -4.562  -3.498
   60    HZ1  LYS   8           HZ1      LYS   8  -3.283  -6.900  -2.500
   61    HZ2  LYS   8           HZ2      LYS   8  -3.677  -5.439  -1.744
   62    HZ3  LYS   8           HZ3      LYS   8  -2.072  -5.970  -1.772
   63    H    TRP   9           H        TRP   9  -2.589  -3.496  -0.806
   64    HA   TRP   9           HA       TRP   9  -1.483  -1.052   0.371
   65    HB2  TRP   9           HB3      TRP   9  -0.889  -3.952   0.546
   66    HB3  TRP   9           HB2      TRP   9   0.419  -2.859   0.798
   67    HD1  TRP   9           HD1      TRP   9  -1.829  -4.670   2.694
   68    HE1  TRP   9           HE1      TRP   9  -2.263  -3.628   5.026
   69    HE3  TRP   9           HE3      TRP   9  -0.033  -0.062   1.753
   70    HZ2  TRP   9           HZ2      TRP   9  -1.860  -1.096   6.269
   71    HZ3  TRP   9           HZ3      TRP   9  -0.084   1.638   3.515
   72    HH2  TRP   9           HH2      TRP   9  -0.959   1.131   5.730
   73    H    THR  10           H        THR  10   0.317  -0.033  -0.412
   74    HA   THR  10           HA       THR  10   1.482  -1.076  -2.902
   75    HB   THR  10           HB       THR  10   1.469   1.848  -2.688
   76    HG1  THR  10           HG1      THR  10  -0.599   1.408  -1.825
   77   HG21  THR  10          HG21      THR  10   1.817   1.550  -4.847
   78   HG22  THR  10          HG22      THR  10   0.141   1.018  -4.995
   79   HG23  THR  10          HG23      THR  10   1.422  -0.164  -4.725
   80    H    TRP  11           H        TRP  11   3.607  -1.330  -2.774
   81    HA   TRP  11           HA       TRP  11   5.029  -0.189  -0.510
   82    HB2  TRP  11           HB3      TRP  11   5.377  -2.544  -0.940
   83    HB3  TRP  11           HB2      TRP  11   5.869  -2.208  -2.598
   84    HD1  TRP  11           HD1      TRP  11   8.401  -2.324  -2.899
   85    HE1  TRP  11           HE1      TRP  11  10.465  -1.878  -1.426
   86    HE3  TRP  11           HE3      TRP  11   6.036  -0.842   1.380
   87    HZ2  TRP  11           HZ2      TRP  11  11.016  -1.008   1.204
   88    HZ3  TRP  11           HZ3      TRP  11   7.400  -0.215   3.326
   89    HH2  TRP  11           HH2      TRP  11   9.839  -0.297   3.241
   90    H    LYS  12           H        LYS  12   7.002   0.960  -0.709
   91    HA   LYS  12           HA       LYS  12   7.972   1.858  -3.236
   92    HB2  LYS  12           HB3      LYS  12   6.080   3.569  -1.701
   93    HB3  LYS  12           HB2      LYS  12   7.473   4.357  -2.430
   94    HG2  LYS  12           HG3      LYS  12   6.374   4.445  -4.346
   95    HG3  LYS  12           HG2      LYS  12   6.394   2.682  -4.410
   96    HD2  LYS  12           HD3      LYS  12   4.226   2.516  -3.827
   97    HD3  LYS  12           HD2      LYS  12   4.346   3.817  -2.640
   98    HE2  LYS  12           HE3      LYS  12   3.680   5.390  -4.109
   99    HE3  LYS  12           HE2      LYS  12   4.565   4.660  -5.448
  100    HZ1  LYS  12           HZ1      LYS  12   2.008   3.613  -4.361
  101    HZ2  LYS  12           HZ2      LYS  12   2.827   3.057  -5.733
  102    HZ3  LYS  12           HZ3      LYS  12   2.132   4.599  -5.730
  Start of MODEL   19
    1    H1   SER   1           HT1      SER   1   8.341   3.335   4.368
    2    H2   SER   1           HT2      SER   1   7.390   4.012   3.110
    3    H3   SER   1           HT3      SER   1   7.968   2.401   2.980
    4    HA   SER   1           HA       SER   1   6.683   1.912   5.031
    5    HB2  SER   1           HB3      SER   1   5.085   4.341   4.284
    6    HB3  SER   1           HB2      SER   1   5.121   3.458   5.810
    7    HG   SER   1           HG       SER   1   6.426   5.005   6.386
    8    H    TRP   2           H        TRP   2   4.053   1.795   4.697
    9    HA   TRP   2           HA       TRP   2   3.747   0.758   1.963
   10    HB2  TRP   2           HB3      TRP   2   2.789  -0.158   4.622
   11    HB3  TRP   2           HB2      TRP   2   1.695  -0.391   3.266
   12    HD1  TRP   2           HD1      TRP   2   4.905  -1.718   4.757
   13    HE1  TRP   2           HE1      TRP   2   5.724  -3.730   3.376
   14    HE3  TRP   2           HE3      TRP   2   1.659  -1.383   0.815
   15    HZ2  TRP   2           HZ2      TRP   2   5.087  -4.995   0.928
   16    HZ3  TRP   2           HZ3      TRP   2   1.845  -2.993  -1.001
   17    HH2  TRP   2           HH2      TRP   2   3.514  -4.784  -0.950
   18    H    THR   3           H        THR   3   1.754   1.092   0.834
   19    HA   THR   3           HA       THR   3   0.269   3.446   1.831
   20    HB   THR   3           HB       THR   3   0.683   2.682  -1.062
   21    HG1  THR   3           HG1      THR   3   2.656   3.292  -0.166
   22   HG21  THR   3          HG21      THR   3  -0.452   5.122   0.262
   23   HG22  THR   3          HG22      THR   3  -1.212   4.067  -0.929
   24   HG23  THR   3          HG23      THR   3   0.125   5.114  -1.404
   25    H    TRP   4           H        TRP   4  -1.762   3.066   2.332
   26    HA   TRP   4           HA       TRP   4  -3.081   0.660   1.328
   27    HB2  TRP   4           HB3      TRP   4  -2.996   1.355   3.814
   28    HB3  TRP   4           HB2      TRP   4  -4.150   2.565   3.368
   29    HD1  TRP   4           HD1      TRP   4  -6.296   1.779   4.432
   30    HE1  TRP   4           HE1      TRP   4  -7.697  -0.394   4.355
   31    HE3  TRP   4           HE3      TRP   4  -3.051  -1.076   1.869
   32    HZ2  TRP   4           HZ2      TRP   4  -7.403  -3.017   3.306
   33    HZ3  TRP   4           HZ3      TRP   4  -3.629  -3.426   1.346
   34    HH2  TRP   4           HH2      TRP   4  -5.769  -4.374   2.061
   35    H    GLU   5           H        GLU   5  -4.465   0.781  -0.333
   36    HA   GLU   5           HA       GLU   5  -6.037   3.224  -0.688
   37    HB2  GLU   5           HB3      GLU   5  -4.071   3.431  -2.147
   38    HB3  GLU   5           HB2      GLU   5  -4.469   1.894  -2.902
   39    HG2  GLU   5           HG3      GLU   5  -5.681   2.988  -4.387
   40    HG3  GLU   5           HG2      GLU   5  -6.781   3.462  -3.093
   41    H    ASN   6           H        ASN   6  -8.079   2.632  -0.640
   42    HA   ASN   6           HA       ASN   6  -9.984   1.392  -0.814
   43    HB2  ASN   6           HB3      ASN   6  -9.038   2.056  -3.307
   44    HB3  ASN   6           HB2      ASN   6  -9.336   0.322  -3.463
   45   HD21  ASN   6          HD21      ASN   6 -10.991   2.866  -1.636
   46   HD22  ASN   6          HD22      ASN   6 -12.542   2.606  -2.347
   47    H    GLY   7           H        GLY   7  -8.176  -0.084   0.636
   48    HA2  GLY   7           HA3      GLY   7  -8.169  -2.249   1.457
   49    HA3  GLY   7           HA2      GLY   7  -9.131  -2.744   0.072
   50    H    LYS   8           H        LYS   8  -6.227  -1.015  -0.634
   51    HA   LYS   8           HA       LYS   8  -4.803  -3.544  -1.099
   52    HB2  LYS   8           HB3      LYS   8  -5.848  -2.861  -3.212
   53    HB3  LYS   8           HB2      LYS   8  -5.056  -1.295  -3.102
   54    HG2  LYS   8           HG3      LYS   8  -3.819  -2.612  -4.635
   55    HG3  LYS   8           HG2      LYS   8  -2.863  -2.496  -3.157
   56    HD2  LYS   8           HD3      LYS   8  -4.007  -4.725  -2.521
   57    HD3  LYS   8           HD2      LYS   8  -4.394  -4.834  -4.239
   58    HE2  LYS   8           HE3      LYS   8  -2.393  -5.886  -4.318
   59    HE3  LYS   8           HE2      LYS   8  -1.789  -4.232  -4.412
   60    HZ1  LYS   8           HZ1      LYS   8  -0.764  -5.835  -2.707
   61    HZ2  LYS   8           HZ2      LYS   8  -2.157  -5.539  -1.795
   62    HZ3  LYS   8           HZ3      LYS   8  -1.133  -4.259  -2.211
   63    H    TRP   9           H        TRP   9  -2.634  -3.508  -0.786
   64    HA   TRP   9           HA       TRP   9  -1.516  -1.072   0.395
   65    HB2  TRP   9           HB3      TRP   9  -0.952  -3.976   0.587
   66    HB3  TRP   9           HB2      TRP   9   0.364  -2.894   0.850
   67    HD1  TRP   9           HD1      TRP   9  -1.924  -4.679   2.726
   68    HE1  TRP   9           HE1      TRP   9  -2.376  -3.625   5.049
   69    HE3  TRP   9           HE3      TRP   9  -0.074  -0.091   1.792
   70    HZ2  TRP   9           HZ2      TRP   9  -1.965  -1.092   6.289
   71    HZ3  TRP   9           HZ3      TRP   9  -0.131   1.615   3.548
   72    HH2  TRP   9           HH2      TRP   9  -1.038   1.125   5.754
   73    H    THR  10           H        THR  10   0.302  -0.073  -0.376
   74    HA   THR  10           HA       THR  10   1.479  -1.140  -2.852
   75    HB   THR  10           HB       THR  10   1.487   1.787  -2.643
   76    HG1  THR  10           HG1      THR  10  -0.598   1.359  -1.816
   77   HG21  THR  10          HG21      THR  10   0.201   0.982  -4.973
   78   HG22  THR  10          HG22      THR  10   1.444  -0.234  -4.680
   79   HG23  THR  10          HG23      THR  10   1.886   1.470  -4.792
   80    H    TRP  11           H        TRP  11   3.599  -1.414  -2.706
   81    HA   TRP  11           HA       TRP  11   5.017  -0.275  -0.437
   82    HB2  TRP  11           HB3      TRP  11   5.319  -2.646  -0.875
   83    HB3  TRP  11           HB2      TRP  11   5.873  -2.303  -2.511
   84    HD1  TRP  11           HD1      TRP  11   8.407  -2.535  -2.698
   85    HE1  TRP  11           HE1      TRP  11  10.427  -2.110  -1.160
   86    HE3  TRP  11           HE3      TRP  11   5.930  -0.875   1.451
   87    HZ2  TRP  11           HZ2      TRP  11  10.906  -1.189   1.466
   88    HZ3  TRP  11           HZ3      TRP  11   7.240  -0.240   3.432
   89    HH2  TRP  11           HH2      TRP  11   9.677  -0.394   3.440
   90    H    LYS  12           H        LYS  12   7.003   0.855  -0.632
   91    HA   LYS  12           HA       LYS  12   8.181   1.654  -3.039
   92    HB2  LYS  12           HB3      LYS  12   7.436   4.076  -3.006
   93    HB3  LYS  12           HB2      LYS  12   6.248   2.914  -3.581
   94    HG2  LYS  12           HG3      LYS  12   5.630   2.995  -0.952
   95    HG3  LYS  12           HG2      LYS  12   6.212   4.641  -1.207
   96    HD2  LYS  12           HD3      LYS  12   4.524   3.928  -3.391
   97    HD3  LYS  12           HD2      LYS  12   3.690   3.536  -1.886
   98    HE2  LYS  12           HE3      LYS  12   3.095   5.759  -2.353
   99    HE3  LYS  12           HE2      LYS  12   4.335   5.868  -1.105
  100    HZ1  LYS  12           HZ1      LYS  12   5.784   6.840  -2.505
  101    HZ2  LYS  12           HZ2      LYS  12   4.387   7.289  -3.345
  102    HZ3  LYS  12           HZ3      LYS  12   5.282   5.946  -3.851
  Start of MODEL   20
    1    H1   SER   1           HT1      SER   1   7.412   3.707   2.862
    2    H2   SER   1           HT2      SER   1   8.184   2.263   3.378
    3    H3   SER   1           HT3      SER   1   8.208   3.657   4.379
    4    HA   SER   1           HA       SER   1   6.645   1.947   5.089
    5    HB2  SER   1           HB3      SER   1   5.653   4.678   4.246
    6    HB3  SER   1           HB2      SER   1   4.751   3.609   5.320
    7    HG   SER   1           HG       SER   1   6.612   3.644   6.709
    8    H    TRP   2           H        TRP   2   4.049   1.822   4.713
    9    HA   TRP   2           HA       TRP   2   3.762   0.784   1.977
   10    HB2  TRP   2           HB3      TRP   2   2.799  -0.146   4.628
   11    HB3  TRP   2           HB2      TRP   2   1.708  -0.377   3.268
   12    HD1  TRP   2           HD1      TRP   2   4.933  -1.687   4.751
   13    HE1  TRP   2           HE1      TRP   2   5.758  -3.693   3.364
   14    HE3  TRP   2           HE3      TRP   2   1.664  -1.372   0.825
   15    HZ2  TRP   2           HZ2      TRP   2   5.116  -4.962   0.920
   16    HZ3  TRP   2           HZ3      TRP   2   1.851  -2.981  -0.991
   17    HH2  TRP   2           HH2      TRP   2   3.533  -4.761  -0.950
   18    H    THR   3           H        THR   3   1.768   1.106   0.844
   19    HA   THR   3           HA       THR   3   0.274   3.457   1.836
   20    HB   THR   3           HB       THR   3   0.712   2.688  -1.052
   21    HG1  THR   3           HG1      THR   3   2.173   4.460  -1.041
   22   HG21  THR   3          HG21      THR   3  -0.302   5.250   0.154
   23   HG22  THR   3          HG22      THR   3  -1.273   4.056  -0.707
   24   HG23  THR   3          HG23      THR   3  -0.011   4.945  -1.559
   25    H    TRP   4           H        TRP   4  -1.755   3.073   2.333
   26    HA   TRP   4           HA       TRP   4  -3.068   0.662   1.334
   27    HB2  TRP   4           HB3      TRP   4  -2.989   1.360   3.817
   28    HB3  TRP   4           HB2      TRP   4  -4.141   2.571   3.369
   29    HD1  TRP   4           HD1      TRP   4  -6.290   1.789   4.429
   30    HE1  TRP   4           HE1      TRP   4  -7.691  -0.383   4.354
   31    HE3  TRP   4           HE3      TRP   4  -3.041  -1.073   1.878
   32    HZ2  TRP   4           HZ2      TRP   4  -7.397  -3.010   3.311
   33    HZ3  TRP   4           HZ3      TRP   4  -3.619  -3.425   1.360
   34    HH2  TRP   4           HH2      TRP   4  -5.761  -4.370   2.073
   35    H    GLU   5           H        GLU   5  -4.447   0.776  -0.331
   36    HA   GLU   5           HA       GLU   5  -6.026   3.214  -0.693
   37    HB2  GLU   5           HB3      GLU   5  -3.813   2.865  -2.193
   38    HB3  GLU   5           HB2      GLU   5  -4.983   2.001  -3.182
   39    HG2  GLU   5           HG3      GLU   5  -5.950   3.880  -3.880
   40    HG3  GLU   5           HG2      GLU   5  -5.955   4.586  -2.264
   41    H    ASN   6           H        ASN   6  -8.067   2.624  -0.664
   42    HA   ASN   6           HA       ASN   6  -9.970   1.382  -0.843
   43    HB2  ASN   6           HB3      ASN   6  -8.681   1.498  -3.487
   44    HB3  ASN   6           HB2      ASN   6  -9.927   0.257  -3.324
   45   HD21  ASN   6          HD21      ASN   6 -11.732   1.388  -1.689
   46   HD22  ASN   6          HD22      ASN   6 -12.404   2.805  -2.408
   47    H    GLY   7           H        GLY   7  -8.172  -0.083   0.631
   48    HA2  GLY   7           HA3      GLY   7  -8.165  -2.240   1.469
   49    HA3  GLY   7           HA2      GLY   7  -9.124  -2.745   0.086
   50    H    LYS   8           H        LYS   8  -6.223  -1.031  -0.654
   51    HA   LYS   8           HA       LYS   8  -4.796  -3.562  -1.073
   52    HB2  LYS   8           HB3      LYS   8  -5.925  -2.799  -3.173
   53    HB3  LYS   8           HB2      LYS   8  -4.945  -1.344  -3.114
   54    HG2  LYS   8           HG3      LYS   8  -4.138  -3.150  -4.656
   55    HG3  LYS   8           HG2      LYS   8  -2.957  -2.540  -3.500
   56    HD2  LYS   8           HD3      LYS   8  -2.987  -5.039  -3.804
   57    HD3  LYS   8           HD2      LYS   8  -3.154  -4.480  -2.144
   58    HE2  LYS   8           HE3      LYS   8  -5.754  -4.697  -3.283
   59    HE3  LYS   8           HE2      LYS   8  -4.872  -6.184  -3.623
   60    HZ1  LYS   8           HZ1      LYS   8  -5.266  -6.814  -1.552
   61    HZ2  LYS   8           HZ2      LYS   8  -6.027  -5.346  -1.197
   62    HZ3  LYS   8           HZ3      LYS   8  -4.358  -5.509  -0.969
   63    H    TRP   9           H        TRP   9  -2.633  -3.512  -0.757
   64    HA   TRP   9           HA       TRP   9  -1.515  -1.068   0.397
   65    HB2  TRP   9           HB3      TRP   9  -0.939  -3.972   0.587
   66    HB3  TRP   9           HB2      TRP   9   0.370  -2.882   0.852
   67    HD1  TRP   9           HD1      TRP   9  -1.920  -4.682   2.723
   68    HE1  TRP   9           HE1      TRP   9  -2.372  -3.632   5.048
   69    HE3  TRP   9           HE3      TRP   9  -0.068  -0.091   1.800
   70    HZ2  TRP   9           HZ2      TRP   9  -1.960  -1.102   6.294
   71    HZ3  TRP   9           HZ3      TRP   9  -0.125   1.611   3.559
   72    HH2  TRP   9           HH2      TRP   9  -1.032   1.117   5.764
   73    H    THR  10           H        THR  10   0.287  -0.060  -0.394
   74    HA   THR  10           HA       THR  10   1.462  -1.138  -2.865
   75    HB   THR  10           HB       THR  10   1.478   1.781  -2.719
   76    HG1  THR  10           HG1      THR  10  -0.580   1.386  -1.789
   77   HG21  THR  10          HG21      THR  10   0.063   0.876  -4.964
   78   HG22  THR  10          HG22      THR  10   1.377  -0.271  -4.697
   79   HG23  THR  10          HG23      THR  10   1.730   1.448  -4.885
   80    H    TRP  11           H        TRP  11   3.584  -1.396  -2.724
   81    HA   TRP  11           HA       TRP  11   5.001  -0.233  -0.468
   82    HB2  TRP  11           HB3      TRP  11   5.316  -2.605  -0.903
   83    HB3  TRP  11           HB2      TRP  11   5.873  -2.259  -2.538
   84    HD1  TRP  11           HD1      TRP  11   8.409  -2.473  -2.715
   85    HE1  TRP  11           HE1      TRP  11  10.420  -2.027  -1.172
   86    HE3  TRP  11           HE3      TRP  11   5.904  -0.821   1.420
   87    HZ2  TRP  11           HZ2      TRP  11  10.882  -1.094   1.454
   88    HZ3  TRP  11           HZ3      TRP  11   7.201  -0.170   3.403
   89    HH2  TRP  11           HH2      TRP  11   9.639  -0.304   3.421
   90    H    LYS  12           H        LYS  12   6.977   0.909  -0.671
   91    HA   LYS  12           HA       LYS  12   8.134   1.711  -3.091
   92    HB2  LYS  12           HB3      LYS  12   7.372   4.022  -3.269
   93    HB3  LYS  12           HB2      LYS  12   6.019   2.912  -3.432
   94    HG2  LYS  12           HG3      LYS  12   5.987   3.408  -0.759
   95    HG3  LYS  12           HG2      LYS  12   6.554   4.950  -1.401
   96    HD2  LYS  12           HD3      LYS  12   4.061   3.483  -2.265
   97    HD3  LYS  12           HD2      LYS  12   4.114   4.902  -1.217
   98    HE2  LYS  12           HE3      LYS  12   4.180   6.261  -2.974
   99    HE3  LYS  12           HE2      LYS  12   5.579   5.413  -3.632
  100    HZ1  LYS  12           HZ1      LYS  12   4.305   4.209  -5.027
  101    HZ2  LYS  12           HZ2      LYS  12   3.230   5.503  -4.851
  102    HZ3  LYS  12           HZ3      LYS  12   3.007   4.091  -3.947