*HEADER    PROTEIN BINDING                         10-JUL-18   6H0Q              
*TITLE     B1-TYPE ACP DOMAIN FROM MODULE 7 OF MLSB                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TYPE I MODULAR POLYKETIDE SYNTHASE;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS (STRAIN AGY99);          
*SOURCE   3 ORGANISM_TAXID: 362242;                                              
*SOURCE   4 STRAIN: AGY99;                                                       
*SOURCE   5 GENE: MLSB, MUP032C;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VARIANT: TUNER                                     
*KEYWDS    ACYL CARRIER PROTEIN MYCOLACTONE POLYKETIDE SYNTHASE, PROTEIN BINDING 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    16                                                                    
*AUTHOR    L.MORETTO,R.HEYLEN,N.HOLROYD,S.VANCE,R.W.BROADHURST                   
*REVDAT   1   06-MAR-19 6H0Q    0                                                
# Restraints file 1: mH0ACPb_nnoesy.tbl
assign ( resid 57 and name H
	 )
       ( resid 60 and name H
	 ) 3.6 0.7 0.7 volume=7272947.391 peak=2 ppm1=7.997 ppm2=8.885

assign ( resid 60 and name H
	 )
       ( resid 62 and name H
	 ) 4.2 0.8 0.8 volume=2939374.637 peak=3 ppm1=8.846 ppm2=7.129

assign ( resid 52 and name H
	 )
       ( resid 51 and name H
	 ) 3.6 0.7 0.7 volume=7542336.031 peak=6 ppm1=9.134 ppm2=8.631

assign ( resid 68 and name H
	 )
       ( resid 69 and name H
	 ) 3.3 0.7 0.7 volume=13414641.000 peak=8 ppm1=8.294 ppm2=9.123

assign ( resid 88 and name H
	 )
       ( resid 89 and name H
	 ) 3.5 0.7 0.7 volume=9360521.828 peak=11 ppm1=8.980 ppm2=8.373

assign ( resid 61 and name H
	 )
       ( resid 59 and name H
	 ) 4.2 0.8 0.8 volume=3132155.711 peak=15 ppm1=8.943 ppm2=8.208

assign ( resid 61 and name H
	 )
       ( resid 57 and name H
	 ) 4.1 0.8 0.8 volume=3708115.562 peak=16 ppm1=8.948 ppm2=7.984

assign ( resid 91 and name H
	 )
       ( resid 92 and name H
	 ) 3.3 0.7 0.7 volume=13132777.250 peak=17 ppm1=8.882 ppm2=7.826

assign ( resid 90 and name H
	 )
       ( resid 89 and name H
	 ) 3.4 0.7 0.7 volume=11151620.391 peak=21 ppm1=8.764 ppm2=8.369

assign ( resid 28 and name H
	 )
       ( resid 29 and name H
	 ) 3.2 0.6 0.6 volume=15569367.688 peak=22 ppm1=7.479 ppm2=8.732

assign ( resid 96 and name H
	 )
       ( resid 95 and name H
	 ) 3.4 0.7 0.7 volume=11590931.188 peak=23 ppm1=8.239 ppm2=8.564

assign ( resid 95 and name H
	 )
       ( resid 97 and name H
	 ) 3.8 0.8 0.8 volume=6033694.312 peak=24 ppm1=8.565 ppm2=7.795

assign ( resid 66 and name H
	 )
       ( resid 67 and name H
	 ) 3.3 0.7 0.7 volume=10174549.547 peak=25 ppm1=8.818 ppm2=8.519

assign ( resid 67 and name H
	 )
       ( resid 68 and name H
	 ) 3.3 0.7 0.7 volume=12510052.516 peak=27 ppm1=8.520 ppm2=8.290

assign ( resid 64 and name H
	 )
       ( resid 63 and name H
	 ) 3.3 0.7 0.7 volume=13526553.125 peak=28 ppm1=8.589 ppm2=7.476

assign ( resid 23 and name H
	 )
       ( resid 24 and name H
	 ) 3.0 0.6 0.6 volume=23796458.438 peak=29 ppm1=7.978 ppm2=8.162

assign ( resid 100 and name H
	 )
       ( resid 99 and name H
	 ) 3.0 0.6 0.6 volume=22482910.844 peak=30 ppm1=7.695 ppm2=7.413

assign ( resid 98 and name H
	 )
       ( resid 99 and name H
	 ) 3.1 0.6 0.6 volume=16168127.344 peak=33 ppm1=8.054 ppm2=7.409

assign ( resid 35 and name H
	 )
       ( resid 36 and name H
	 ) 3.2 0.6 0.6 volume=14980214.344 peak=35 ppm1=8.065 ppm2=7.762

assign ( resid 35 and name H
	 )
       ( resid 34 and name H
	 ) 3.3 0.7 0.7 volume=13076294.469 peak=36 ppm1=8.065 ppm2=8.379

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 3.2 0.6 0.6 volume=16268117.812 peak=37 ppm1=7.956 ppm2=8.279

assign ( resid 43 and name H
	 )
       ( resid 44 and name H
	 ) 3.5 0.7 0.7 volume=8513138.188 peak=38 ppm1=9.003 ppm2=8.032

assign ( resid 44 and name H
	 )
       ( resid 45 and name H
	 ) 3.2 0.6 0.6 volume=15437642.375 peak=39 ppm1=8.037 ppm2=7.523

assign ( resid 13 and name H
	 )
       ( resid 14 and name H
	 ) 3.0 0.6 0.6 volume=23773659.250 peak=40 ppm1=8.141 ppm2=7.528

assign ( resid 83 and name H
	 )
       ( resid 84 and name H
	 ) 3.1 0.6 0.6 volume=18973221.500 peak=42 ppm1=7.965 ppm2=7.322

assign ( resid 84 and name H
	 )
       ( resid 84 and name HD2
	 ) 3.6 0.7 0.7 volume=8283531.672 peak=43 ppm1=7.321 ppm2=6.715

assign ( resid 53 and name H
	 )
       ( resid 54 and name H
	 ) 3.0 0.6 0.6 volume=21856043.062 peak=46 ppm1=7.124 ppm2=7.759

assign ( resid 53 and name H
	 )
       ( resid 52 and name H
	 ) 3.2 0.6 0.6 volume=10871021.875 peak=47 ppm1=7.123 ppm2=9.130

assign ( resid 62 and name H
	 )
       ( resid 61 and name H
	 ) 3.2 0.6 0.6 volume=15443559.719 peak=48 ppm1=7.146 ppm2=8.944

assign ( resid 62 and name H
	 )
       ( resid 64 and name H
	 ) 4.1 0.8 0.8 volume=3533424.094 peak=49 ppm1=7.140 ppm2=8.603

assign ( resid 79 and name H
	 )
       ( resid 80 and name H
	 ) 3.2 0.6 0.6 volume=14768467.125 peak=53 ppm1=6.744 ppm2=7.328

assign ( resid 55 and name H
	 )
       ( resid 53 and name H
	 ) 3.9 0.8 0.8 volume=4945914.758 peak=54 ppm1=7.418 ppm2=7.099

assign ( resid 54 and name H
	 )
       ( resid 55 and name H
	 ) 3.2 0.6 0.6 volume=17194923.125 peak=55 ppm1=7.765 ppm2=7.422

assign ( resid 73 and name H
	 )
       ( resid 72 and name H
	 ) 2.8 0.6 0.6 volume=34609562.500 peak=56 ppm1=8.163 ppm2=7.864

assign ( resid 86 and name H
	 )
       ( resid 89 and name H
	 ) 4.0 0.8 0.8 volume=4297921.727 peak=59 ppm1=7.370 ppm2=8.377

assign ( resid 86 and name H
	 )
       ( resid 90 and name H
	 ) 4.1 0.8 0.8 volume=3807967.398 peak=60 ppm1=7.368 ppm2=8.755

assign ( resid 71 and name H
	 )
       ( resid 72 and name H
	 ) 3.0 0.6 0.6 volume=24995496.688 peak=61 ppm1=8.165 ppm2=7.866

assign ( resid 73 and name H
	 )
       ( resid 74 and name H
	 ) 3.3 0.7 0.7 volume=13706560.344 peak=63 ppm1=8.166 ppm2=7.646

assign ( resid 71 and name HD22
	 )
       ( resid 71 and name H
	 ) 3.7 0.7 0.7 volume=6462853.039 peak=64 ppm1=7.352 ppm2=8.159

assign ( resid 16 and name H
	 )
       ( resid 15 and name H
	 ) 3.6 0.7 0.7 volume=6560988.766 peak=65 ppm1=7.356 ppm2=8.419

assign ( resid 15 and name H
	 )
       ( resid 14 and name H
	 ) 4.2 0.8 0.8 volume=2778704.328 peak=66 ppm1=8.420 ppm2=7.527

assign ( resid 55 and name H
	 )
       ( resid 55 and name HA2
	 ) 2.9 0.6 0.6 volume=29831504.812 peak=67 ppm1=7.419 ppm2=3.683

assign ( resid 55 and name H
	 )
       ( resid 55 and name HA3
	 ) 3.0 0.6 0.6 volume=24509480.500 peak=68 ppm1=7.419 ppm2=4.399

assign ( resid 79 and name H
	 )
       ( resid 78 and name HA
	 ) 3.8 0.8 0.8 volume=5897334.297 peak=70 ppm1=6.744 ppm2=4.000

assign ( resid 79 and name H
	 )
       ( resid 79 and name HA
	 ) 3.4 0.7 0.7 volume=11078585.750 peak=71 ppm1=6.742 ppm2=4.194

assign ( resid 71 and name H
	 )
       ( resid 68 and name HA
	 ) 3.4 0.7 0.7 volume=10903341.109 peak=72 ppm1=8.164 ppm2=4.089

assign ( resid 73 and name H
	 )
       ( resid 73 and name HA3
	 ) 2.9 0.6 0.6 volume=28581119.438 peak=73 ppm1=8.164 ppm2=4.075

assign ( resid 73 and name H
	 )
       ( resid 73 and name HA2
	 ) 2.9 0.6 0.6 volume=27406253.438 peak=74 ppm1=8.166 ppm2=3.810

assign ( resid 71 and name H
	 )
       ( resid 70 and name HA
	 ) 3.9 0.8 0.8 volume=4516733.984 peak=75 ppm1=8.163 ppm2=4.281

assign ( resid 73 and name H
	 )
       ( resid 70 and name HA
	 ) 4.5 0.9 0.9 volume=2105345.721 peak=76 ppm1=8.154 ppm2=4.272

assign ( resid 15 and name H
	 )
       ( resid 14 and name HA
	 ) 3.2 0.6 0.6 volume=17025389.906 peak=77 ppm1=8.422 ppm2=4.366

assign ( resid 15 and name H
	 )
       ( resid 15 and name HA2
	 ) 3.1 0.6 0.6 volume=18031800.344 peak=78 ppm1=8.422 ppm2=3.960

assign ( resid 15 and name H
	 )
       ( resid 14 and name HB2
	 ) 3.9 0.8 0.8 volume=5034151.562 peak=79 ppm1=8.423 ppm2=2.820

assign ( resid 60 and name H
	 )
       ( resid 59 and name HA
	 ) 3.7 0.7 0.7 volume=6478323.266 peak=80 ppm1=8.846 ppm2=4.359

assign ( resid 60 and name H
	 )
       ( resid 60 and name HA
	 ) 3.1 0.6 0.6 volume=17899343.219 peak=81 ppm1=8.844 ppm2=4.010

assign ( resid 60 and name H
	 )
       ( resid 59 and name HB2
	 ) 3.2 0.6 0.6 volume=16381009.781 peak=82 ppm1=8.844 ppm2=1.980

assign ( resid 60 and name H
	 )
       ( resid 59 and name HB3
	 ) 3.2 0.6 0.6 volume=17018577.094 peak=83 ppm1=8.844 ppm2=1.663

assign ( resid 60 and name H
	 )
       ( resid 60 and name HG2#
	 ) 3.0 0.6 0.6 volume=21222997.688 peak=84 ppm1=8.845 ppm2=1.316

assign ( resid 60 and name H
	 )
       ( resid 59 and name HD2#
	 ) 3.9 0.8 0.8 volume=4969912.258 peak=85 ppm1=8.840 ppm2=0.925

assign ( resid 60 and name H
	 )
       ( resid 56 and name HG2#
	 ) 4.0 0.8 0.8 volume=3995405.891 peak=86 ppm1=8.847 ppm2=0.651

assign ( resid 95 and name H
	 )
       ( resid 94 and name HA
	 ) 4.0 0.8 0.8 volume=4194509.676 peak=87 ppm1=8.571 ppm2=3.472

assign ( resid 95 and name H
	 )
       ( resid 95 and name HA
	 ) 3.3 0.7 0.7 volume=12436061.531 peak=88 ppm1=8.565 ppm2=3.770

assign ( resid 95 and name H
	 )
       ( resid 92 and name HA
	 ) 3.8 0.8 0.8 volume=5407688.242 peak=89 ppm1=8.568 ppm2=3.906

assign ( resid 95 and name H
	 )
       ( resid 95 and name HB3
	 ) 3.1 0.6 0.6 volume=20784674.750 peak=90 ppm1=8.567 ppm2=3.250

assign ( resid 95 and name H
	 )
       ( resid 95 and name HB2
	 ) 3.0 0.6 0.6 volume=22904570.562 peak=91 ppm1=8.565 ppm2=2.913

assign ( resid 52 and name H
	 )
       ( resid 52 and name HA
	 ) 3.0 0.6 0.6 volume=22428502.969 peak=92 ppm1=9.133 ppm2=4.266

assign ( resid 52 and name H
	 )
       ( resid 51 and name HA
	 ) 4.3 0.9 0.9 volume=2774884.994 peak=93 ppm1=9.127 ppm2=4.095

assign ( resid 20 and name H
	 )
       ( resid 21 and name H
	 ) 3.3 0.7 0.7 volume=13315791.906 peak=94 ppm1=7.814 ppm2=9.155

assign ( resid 21 and name H
	 )
       ( resid 22 and name H
	 ) 3.3 0.7 0.7 volume=12497559.812 peak=95 ppm1=9.158 ppm2=7.993

assign ( resid 27 and name H
	 )
       ( resid 26 and name H
	 ) 3.1 0.6 0.6 volume=14808296.969 peak=96 ppm1=8.181 ppm2=9.013

assign ( resid 65 and name H
	 )
       ( resid 66 and name H
	 ) 3.2 0.6 0.6 volume=7919405.734 peak=98 ppm1=7.744 ppm2=8.820

assign ( resid 20 and name H
	 )
       ( resid 17 and name H
	 ) 4.1 0.8 0.8 volume=3394653.602 peak=99 ppm1=7.816 ppm2=8.834

assign ( resid 65 and name H
	 )
       ( resid 64 and name H
	 ) 3.6 0.7 0.7 volume=8174668.422 peak=100 ppm1=7.744 ppm2=8.584

assign ( resid 89 and name H
	 )
       ( resid 88 and name H
	 ) 3.6 0.7 0.7 volume=7616640.438 peak=106 ppm1=8.372 ppm2=8.973

assign ( resid 59 and name H
	 )
       ( resid 60 and name H
	 ) 3.0 0.6 0.6 volume=21673115.688 peak=108 ppm1=8.214 ppm2=8.849

assign ( resid 31 and name H
	 )
       ( resid 32 and name H
	 ) 3.0 0.6 0.6 volume=23515147.250 peak=109 ppm1=8.530 ppm2=8.268

assign ( resid 25 and name H
	 )
       ( resid 24 and name H
	 ) 3.0 0.6 0.6 volume=21541359.844 peak=111 ppm1=7.880 ppm2=8.154

assign ( resid 86 and name H
	 )
       ( resid 85 and name HA
	 ) 3.6 0.7 0.7 volume=8375222.641 peak=112 ppm1=7.369 ppm2=5.127

assign ( resid 86 and name H
	 )
       ( resid 86 and name HB
	 ) 3.2 0.6 0.6 volume=16809621.031 peak=113 ppm1=7.371 ppm2=4.375

assign ( resid 86 and name H
	 )
       ( resid 85 and name HD2
	 ) 3.9 0.8 0.8 volume=4573744.023 peak=114 ppm1=7.365 ppm2=3.613

assign ( resid 86 and name H
	 )
       ( resid 89 and name HA
	 ) 3.9 0.8 0.8 volume=5130724.062 peak=115 ppm1=7.374 ppm2=4.072

assign ( resid 86 and name H
	 )
       ( resid 84 and name HB2
	 ) 3.7 0.7 0.7 volume=6390678.047 peak=116 ppm1=7.364 ppm2=2.297

assign ( resid 86 and name H
	 )
       ( resid 86 and name HG2#
	 ) 3.2 0.6 0.6 volume=14827116.719 peak=117 ppm1=7.371 ppm2=0.950

assign ( resid 63 and name H
	 )
       ( resid 62 and name H
	 ) 3.0 0.6 0.6 volume=23392479.562 peak=119 ppm1=7.480 ppm2=7.135

assign ( resid 71 and name HD22
	 )
       ( resid 67 and name HG2#
	 ) 3.3 0.7 0.7 volume=14292229.844 peak=121 ppm1=7.354 ppm2=1.246

assign ( resid 71 and name HD21
	 )
       ( resid 28 and name HD1#
	 ) 4.0 0.8 0.8 volume=4043922.047 peak=122 ppm1=7.225 ppm2=0.702

assign ( resid 71 and name HD22
	 )
       ( resid 28 and name HD1#
	 ) 3.8 0.8 0.8 volume=5585048.703 peak=123 ppm1=7.353 ppm2=0.697

assign ( resid 71 and name HD22
	 )
       ( resid 71 and name HB3
	 ) 3.5 0.7 0.7 volume=9228526.750 peak=124 ppm1=7.355 ppm2=2.735

assign ( resid 71 and name HD21
	 )
       ( resid 71 and name HB3
	 ) 4.0 0.8 0.8 volume=3884964.102 peak=125 ppm1=7.225 ppm2=2.729

assign ( resid 71 and name HD22
	 )
       ( resid 71 and name HB2
	 ) 3.5 0.7 0.7 volume=9878911.422 peak=126 ppm1=7.356 ppm2=2.645

assign ( resid 71 and name HD21
	 )
       ( resid 71 and name HB2
	 ) 4.1 0.8 0.8 volume=3479350.555 peak=127 ppm1=7.227 ppm2=2.651

assign ( resid 71 and name HD21
	 )
       ( resid 71 and name HA
	 ) 3.9 0.8 0.8 volume=4801155.344 peak=128 ppm1=7.226 ppm2=4.455

assign ( resid 71 and name HD21
	 )
       ( resid 68 and name HA
	 ) 4.2 0.8 0.8 volume=3273596.414 peak=129 ppm1=7.218 ppm2=4.084

assign ( resid 71 and name HD22
	 )
       ( resid 68 and name HA
	 ) 3.9 0.8 0.8 volume=4705493.938 peak=130 ppm1=7.350 ppm2=4.089

assign ( resid 71 and name HD22
	 )
       ( resid 71 and name HA
	 ) 3.3 0.7 0.7 volume=13361099.938 peak=131 ppm1=7.354 ppm2=4.443

assign ( resid 66 and name HD22
	 )
       ( resid 63 and name HA
	 ) 3.6 0.7 0.7 volume=7982048.625 peak=132 ppm1=7.783 ppm2=4.076

assign ( resid 66 and name HD22
	 )
       ( resid 66 and name HB2
	 ) 3.3 0.7 0.7 volume=12777240.859 peak=133 ppm1=7.783 ppm2=3.011

assign ( resid 66 and name HD22
	 )
       ( resid 66 and name HB3
	 ) 3.4 0.7 0.7 volume=11363291.156 peak=134 ppm1=7.782 ppm2=2.827

assign ( resid 66 and name HD21
	 )
       ( resid 66 and name HB3
	 ) 3.6 0.7 0.7 volume=7360264.281 peak=135 ppm1=6.895 ppm2=2.829

assign ( resid 66 and name HD21
	 )
       ( resid 62 and name HB3
	 ) 3.9 0.8 0.8 volume=4752071.617 peak=136 ppm1=6.891 ppm2=1.754

assign ( resid 71 and name H
	 )
       ( resid 71 and name HA
	 ) 3.2 0.6 0.6 volume=17276490.312 peak=137 ppm1=8.165 ppm2=4.452

assign ( resid 71 and name H
	 )
       ( resid 70 and name HB3
	 ) 3.1 0.6 0.6 volume=18794689.781 peak=138 ppm1=8.165 ppm2=3.247

assign ( resid 71 and name H
	 )
       ( resid 71 and name HB2
	 ) 3.1 0.6 0.6 volume=19472372.562 peak=139 ppm1=8.164 ppm2=2.649

assign ( resid 71 and name H
	 )
       ( resid 94 and name HD1#
	 ) 3.7 0.7 0.7 volume=6864761.672 peak=140 ppm1=8.161 ppm2=0.711

assign ( resid 73 and name H
	 )
       ( resid 94 and name HD2#
	 ) 4.0 0.8 0.8 volume=4148880.680 peak=141 ppm1=8.155 ppm2=0.731

assign ( resid 43 and name H
	 )
       ( resid 43 and name HA
	 ) 3.5 0.7 0.7 volume=9557508.500 peak=142 ppm1=9.012 ppm2=4.058

assign ( resid 52 and name H
	 )
       ( resid 51 and name HB3
	 ) 3.2 0.6 0.6 volume=16213654.062 peak=143 ppm1=9.133 ppm2=2.734

assign ( resid 52 and name H
	 )
       ( resid 52 and name HB3
	 ) 3.0 0.6 0.6 volume=24125164.500 peak=144 ppm1=9.133 ppm2=1.898

assign ( resid 52 and name H
	 )
       ( resid 52 and name HB2
	 ) 2.9 0.6 0.6 volume=27465869.750 peak=145 ppm1=9.132 ppm2=1.692

assign ( resid 52 and name H
	 )
       ( resid 52 and name HG3
	 ) 2.9 0.6 0.6 volume=29766347.188 peak=146 ppm1=9.132 ppm2=1.461

assign ( resid 88 and name H
	 )
       ( resid 86 and name HB
	 ) 3.1 0.6 0.6 volume=18468695.406 peak=147 ppm1=8.981 ppm2=4.382

assign ( resid 88 and name H
	 )
       ( resid 88 and name HA
	 ) 3.1 0.6 0.6 volume=20753471.500 peak=148 ppm1=8.981 ppm2=4.179

assign ( resid 88 and name H
	 )
       ( resid 87 and name HD2
	 ) 4.0 0.8 0.8 volume=4230754.531 peak=149 ppm1=8.985 ppm2=3.695

assign ( resid 88 and name H
	 )
       ( resid 88 and name HB2
	 ) 2.8 0.6 0.6 volume=36387401.500 peak=150 ppm1=8.980 ppm2=2.838

assign ( resid 88 and name H
	 )
       ( resid 87 and name HB2
	 ) 3.2 0.6 0.6 volume=15199548.500 peak=151 ppm1=8.981 ppm2=1.943

assign ( resid 88 and name H
	 )
       ( resid 86 and name HG2#
	 ) 3.9 0.8 0.8 volume=4677142.297 peak=152 ppm1=8.983 ppm2=0.967

assign ( resid 88 and name H
	 )
       ( resid 48 and name HB#
	 ) 4.2 0.8 0.8 volume=2953729.732 peak=153 ppm1=8.991 ppm2=1.251

assign ( resid 21 and name H
	 )
       ( resid 21 and name HA
	 ) 3.5 0.7 0.7 volume=8750687.906 peak=154 ppm1=9.158 ppm2=3.730

assign ( resid 21 and name H
	 )
       ( resid 20 and name HA
	 ) 3.9 0.8 0.8 volume=4504993.352 peak=155 ppm1=9.158 ppm2=4.109

assign ( resid 21 and name H
	 )
       ( resid 18 and name HA
	 ) 4.0 0.8 0.8 volume=3922546.438 peak=156 ppm1=9.159 ppm2=4.356

assign ( resid 21 and name H
	 )
       ( resid 20 and name HB3
	 ) 3.2 0.6 0.6 volume=15666131.844 peak=157 ppm1=9.158 ppm2=2.381

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB3
	 ) 3.5 0.7 0.7 volume=8705371.828 peak=158 ppm1=9.157 ppm2=2.667

assign ( resid 21 and name H
	 )
       ( resid 21 and name HG2
	 ) 3.3 0.7 0.7 volume=12548339.625 peak=159 ppm1=9.158 ppm2=2.893

assign ( resid 21 and name H
	 )
       ( resid 16 and name HB2
	 ) 3.8 0.8 0.8 volume=5659170.016 peak=160 ppm1=9.160 ppm2=1.858

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB2
	 ) 3.3 0.7 0.7 volume=12495699.062 peak=161 ppm1=9.158 ppm2=1.630

assign ( resid 21 and name H
	 )
       ( resid 16 and name HD2#
	 ) 3.4 0.7 0.7 volume=10858082.969 peak=162 ppm1=9.157 ppm2=0.762

assign ( resid 69 and name H
	 )
       ( resid 68 and name HB2
	 ) 3.5 0.7 0.7 volume=9277917.938 peak=163 ppm1=9.121 ppm2=1.901

assign ( resid 69 and name H
	 )
       ( resid 69 and name HG2#
	 ) 3.1 0.6 0.6 volume=17965764.219 peak=164 ppm1=9.121 ppm2=1.267

assign ( resid 69 and name H
	 )
       ( resid 94 and name HD2#
	 ) 3.3 0.7 0.7 volume=14100664.719 peak=165 ppm1=9.120 ppm2=0.781

assign ( resid 69 and name H
	 )
       ( resid 69 and name HB
	 ) 2.8 0.6 0.6 volume=34099718.625 peak=166 ppm1=9.122 ppm2=4.296

assign ( resid 69 and name H
	 )
       ( resid 69 and name HA
	 ) 3.0 0.6 0.6 volume=21119481.094 peak=167 ppm1=9.121 ppm2=4.113

assign ( resid 26 and name H
	 )
       ( resid 26 and name HA
	 ) 2.9 0.6 0.6 volume=29290580.688 peak=168 ppm1=9.015 ppm2=4.154

assign ( resid 26 and name H
	 )
       ( resid 22 and name HA
	 ) 3.9 0.8 0.8 volume=4929192.430 peak=169 ppm1=9.015 ppm2=3.412

assign ( resid 26 and name H
	 )
       ( resid 25 and name HB2
	 ) 3.3 0.7 0.7 volume=12533974.000 peak=170 ppm1=9.015 ppm2=1.938

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB#
	 ) 2.6 0.5 0.5 volume=51976554.500 peak=171 ppm1=9.015 ppm2=1.509

assign ( resid 26 and name H
	 )
       ( resid 25 and name HB3
	 ) 3.4 0.7 0.7 volume=10176166.766 peak=172 ppm1=9.015 ppm2=1.249

assign ( resid 26 and name H
	 )
       ( resid 25 and name HD1#
	 ) 3.5 0.7 0.7 volume=9967184.094 peak=173 ppm1=9.015 ppm2=0.772

assign ( resid 26 and name H
	 )
       ( resid 91 and name HG2#
	 ) 3.0 0.6 0.6 volume=21047132.844 peak=174 ppm1=9.014 ppm2=1.013

assign ( resid 61 and name H
	 )
       ( resid 56 and name HG2#
	 ) 3.2 0.6 0.6 volume=16170149.438 peak=175 ppm1=8.948 ppm2=0.644

assign ( resid 61 and name H
	 )
       ( resid 61 and name HB#
	 ) 2.7 0.5 0.5 volume=42755419.562 peak=176 ppm1=8.947 ppm2=1.186

assign ( resid 61 and name H
	 )
       ( resid 61 and name HA
	 ) 3.2 0.6 0.6 volume=16488007.438 peak=177 ppm1=8.946 ppm2=3.631

assign ( resid 61 and name H
	 )
       ( resid 58 and name HA
	 ) 3.4 0.7 0.7 volume=11628203.844 peak=178 ppm1=8.946 ppm2=4.102

assign ( resid 49 and name H
	 )
       ( resid 50 and name H
	 ) 3.8 0.8 0.8 volume=4721224.805 peak=179 ppm1=7.476 ppm2=8.715

assign ( resid 50 and name H
	 )
       ( resid 49 and name HB
	 ) 2.5 0.5 0.5 volume=68559024.500 peak=180 ppm1=8.723 ppm2=3.940

assign ( resid 50 and name H
	 )
       ( resid 50 and name HA
	 ) 3.2 0.6 0.6 volume=15120152.562 peak=181 ppm1=8.723 ppm2=4.381

assign ( resid 50 and name H
	 )
       ( resid 53 and name HB3
	 ) 3.5 0.7 0.7 volume=8712176.406 peak=182 ppm1=8.720 ppm2=2.769

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB#
	 ) 2.7 0.5 0.5 volume=44853747.500 peak=183 ppm1=8.722 ppm2=1.473

assign ( resid 50 and name H
	 )
       ( resid 49 and name HG2#
	 ) 2.9 0.6 0.6 volume=25872505.406 peak=184 ppm1=8.723 ppm2=1.292

assign ( resid 50 and name H
	 )
       ( resid 86 and name HG2#
	 ) 3.6 0.7 0.7 volume=7896189.758 peak=185 ppm1=8.721 ppm2=0.938

assign ( resid 30 and name H
	 )
       ( resid 30 and name HB#
	 ) 2.6 0.5 0.5 volume=52283355.625 peak=186 ppm1=8.641 ppm2=1.588

assign ( resid 30 and name H
	 )
       ( resid 29 and name HG2#
	 ) 3.2 0.6 0.6 volume=16464641.281 peak=187 ppm1=8.641 ppm2=1.021

assign ( resid 30 and name H
	 )
       ( resid 45 and name HG2#
	 ) 3.7 0.7 0.7 volume=6106746.547 peak=188 ppm1=8.640 ppm2=0.714

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB
	 ) 3.1 0.6 0.6 volume=19716881.438 peak=189 ppm1=8.641 ppm2=2.192

assign ( resid 30 and name H
	 )
       ( resid 29 and name HA
	 ) 3.7 0.7 0.7 volume=6604505.852 peak=190 ppm1=8.640 ppm2=3.448

assign ( resid 30 and name H
	 )
       ( resid 28 and name HA
	 ) 3.7 0.7 0.7 volume=7025307.328 peak=191 ppm1=8.641 ppm2=4.171

assign ( resid 30 and name H
	 )
       ( resid 30 and name HA
	 ) 2.8 0.6 0.6 volume=32279453.062 peak=192 ppm1=8.641 ppm2=3.956

assign ( resid 30 and name H
	 )
       ( resid 27 and name H
	 ) 4.1 0.8 0.8 volume=3718858.883 peak=193 ppm1=8.635 ppm2=8.212

assign ( resid 5 and name H
	 )
       ( resid 4 and name HA
	 ) 3.5 0.7 0.7 volume=9806508.406 peak=194 ppm1=8.456 ppm2=4.403

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 3.8 0.8 0.8 volume=5420534.828 peak=195 ppm1=8.454 ppm2=4.177

assign ( resid 5 and name H
	 )
       ( resid 4 and name HB3
	 ) 3.9 0.8 0.8 volume=4564280.477 peak=196 ppm1=8.454 ppm2=3.957

assign ( resid 5 and name H
	 )
       ( resid 5 and name HB#
	 ) 3.2 0.6 0.6 volume=16899113.344 peak=197 ppm1=8.455 ppm2=1.337

assign ( resid 46 and name H
	 )
       ( resid 46 and name HB3
	 ) 2.6 0.5 0.5 volume=59385610.250 peak=198 ppm1=8.224 ppm2=3.936

assign ( resid 59 and name H
	 )
       ( resid 59 and name HA
	 ) 3.2 0.6 0.6 volume=15455249.250 peak=199 ppm1=8.215 ppm2=4.366

assign ( resid 46 and name H
	 )
       ( resid 45 and name H
	 ) 4.1 0.8 0.8 volume=3640437.367 peak=200 ppm1=8.214 ppm2=7.514

assign ( resid 102 and name H
	 )
       ( resid 101 and name HA
	 ) 2.8 0.6 0.6 volume=36310001.750 peak=201 ppm1=7.996 ppm2=4.375

assign ( resid 76 and name H
	 )
       ( resid 75 and name HA
	 ) 2.7 0.5 0.5 volume=43618203.312 peak=202 ppm1=7.869 ppm2=4.565

assign ( resid 72 and name H
	 )
       ( resid 72 and name HB
	 ) 3.2 0.6 0.6 volume=15365790.781 peak=203 ppm1=7.871 ppm2=4.088

assign ( resid 57 and name H
	 )
       ( resid 56 and name HA
	 ) 2.8 0.6 0.6 volume=36996771.875 peak=204 ppm1=7.992 ppm2=3.969

assign ( resid 28 and name H
	 )
       ( resid 28 and name HA
	 ) 2.8 0.6 0.6 volume=33615524.750 peak=206 ppm1=7.479 ppm2=4.196

assign ( resid 28 and name H
	 )
       ( resid 27 and name HA
	 ) 3.5 0.7 0.7 volume=9204470.438 peak=207 ppm1=7.481 ppm2=3.940

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB3
	 ) 2.9 0.6 0.6 volume=26997182.188 peak=208 ppm1=7.479 ppm2=1.723

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB2
	 ) 3.0 0.6 0.6 volume=25068315.750 peak=209 ppm1=7.479 ppm2=1.934

assign ( resid 28 and name H
	 )
       ( resid 24 and name HG2#
	 ) 3.7 0.7 0.7 volume=6189301.391 peak=210 ppm1=7.479 ppm2=1.020

assign ( resid 28 and name H
	 )
       ( resid 27 and name HG2#
	 ) 3.6 0.7 0.7 volume=8041651.734 peak=211 ppm1=7.480 ppm2=1.265

assign ( resid 28 and name H
	 )
       ( resid 28 and name HD2#
	 ) 3.4 0.7 0.7 volume=10638017.250 peak=212 ppm1=7.478 ppm2=0.763

assign ( resid 80 and name H
	 )
       ( resid 79 and name HA
	 ) 3.8 0.8 0.8 volume=5458832.227 peak=213 ppm1=7.330 ppm2=4.191

assign ( resid 80 and name H
	 )
       ( resid 80 and name HA
	 ) 3.0 0.6 0.6 volume=21904729.250 peak=214 ppm1=7.330 ppm2=3.999

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 3.3 0.7 0.7 volume=14312987.688 peak=215 ppm1=7.354 ppm2=4.622

assign ( resid 16 and name H
	 )
       ( resid 14 and name HA
	 ) 3.8 0.8 0.8 volume=5891045.703 peak=216 ppm1=7.353 ppm2=4.371

assign ( resid 16 and name H
	 )
       ( resid 15 and name HA2
	 ) 3.3 0.7 0.7 volume=13893555.500 peak=217 ppm1=7.355 ppm2=3.967

assign ( resid 16 and name H
	 )
       ( resid 21 and name HG2
	 ) 4.0 0.8 0.8 volume=4030306.914 peak=218 ppm1=7.355 ppm2=2.871

assign ( resid 16 and name H
	 )
       ( resid 21 and name HG3
	 ) 4.0 0.8 0.8 volume=4099966.852 peak=219 ppm1=7.351 ppm2=2.334

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB3
	 ) 3.4 0.7 0.7 volume=10210987.328 peak=220 ppm1=7.354 ppm2=1.599

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB2
	 ) 2.8 0.6 0.6 volume=38655729.312 peak=221 ppm1=7.356 ppm2=1.814

assign ( resid 16 and name H
	 )
       ( resid 16 and name HD2#
	 ) 3.0 0.6 0.6 volume=23686419.000 peak=222 ppm1=7.356 ppm2=0.772

assign ( resid 62 and name H
	 )
       ( resid 61 and name HB#
	 ) 3.1 0.6 0.6 volume=20042067.688 peak=223 ppm1=7.146 ppm2=1.193

assign ( resid 62 and name H
	 )
       ( resid 62 and name HD1#
	 ) 3.3 0.7 0.7 volume=12196517.844 peak=224 ppm1=7.146 ppm2=0.946

assign ( resid 62 and name H
	 )
       ( resid 61 and name HA
	 ) 3.8 0.8 0.8 volume=5263117.359 peak=225 ppm1=7.150 ppm2=3.626

assign ( resid 53 and name H
	 )
       ( resid 53 and name HB3
	 ) 2.7 0.5 0.5 volume=41603536.062 peak=226 ppm1=7.126 ppm2=2.768

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB3
	 ) 2.6 0.5 0.5 volume=55667258.625 peak=227 ppm1=7.146 ppm2=1.798

assign ( resid 62 and name H
	 )
       ( resid 65 and name HB2
	 ) 3.7 0.7 0.7 volume=6914345.781 peak=228 ppm1=7.140 ppm2=2.044

assign ( resid 53 and name H
	 )
       ( resid 50 and name HB#
	 ) 2.8 0.6 0.6 volume=33141438.938 peak=229 ppm1=7.126 ppm2=1.470

assign ( resid 53 and name H
	 )
       ( resid 54 and name HD2#
	 ) 4.0 0.8 0.8 volume=4355925.172 peak=230 ppm1=7.138 ppm2=0.690

assign ( resid 62 and name H
	 )
       ( resid 62 and name HA
	 ) 2.9 0.6 0.6 volume=27477086.688 peak=231 ppm1=7.144 ppm2=4.083

assign ( resid 62 and name H
	 )
       ( resid 59 and name HA
	 ) 3.4 0.7 0.7 volume=11283827.266 peak=232 ppm1=7.146 ppm2=4.352

assign ( resid 53 and name H
	 )
       ( resid 53 and name HA
	 ) 3.1 0.6 0.6 volume=20972588.312 peak=233 ppm1=7.127 ppm2=4.569

assign ( resid 84 and name H
	 )
       ( resid 84 and name HA
	 ) 3.4 0.7 0.7 volume=11860189.844 peak=234 ppm1=7.319 ppm2=4.921

assign ( resid 84 and name H
	 )
       ( resid 80 and name HA
	 ) 3.4 0.7 0.7 volume=10041329.969 peak=235 ppm1=7.320 ppm2=3.985

assign ( resid 84 and name H
	 )
       ( resid 81 and name HA
	 ) 3.9 0.8 0.8 volume=5177823.094 peak=236 ppm1=7.321 ppm2=3.798

assign ( resid 84 and name H
	 )
       ( resid 84 and name HB3
	 ) 3.2 0.6 0.6 volume=15152922.812 peak=237 ppm1=7.321 ppm2=3.100

assign ( resid 84 and name H
	 )
       ( resid 84 and name HB2
	 ) 3.0 0.6 0.6 volume=22526893.375 peak=238 ppm1=7.320 ppm2=2.286

assign ( resid 84 and name H
	 )
       ( resid 83 and name HB3
	 ) 3.5 0.7 0.7 volume=9084428.297 peak=239 ppm1=7.320 ppm2=1.848

assign ( resid 48 and name H
	 )
       ( resid 48 and name HA
	 ) 3.1 0.6 0.6 volume=19422018.812 peak=240 ppm1=7.558 ppm2=4.386

assign ( resid 48 and name H
	 )
       ( resid 46 and name HB3
	 ) 3.2 0.6 0.6 volume=16682716.250 peak=241 ppm1=7.558 ppm2=3.928

assign ( resid 48 and name H
	 )
       ( resid 47 and name HD2
	 ) 3.6 0.7 0.7 volume=8386274.531 peak=242 ppm1=7.555 ppm2=3.763

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB2
	 ) 2.5 0.5 0.5 volume=74762447.500 peak=243 ppm1=7.535 ppm2=2.813

assign ( resid 14 and name H
	 )
       ( resid 13 and name HB3
	 ) 3.1 0.6 0.6 volume=18407307.406 peak=244 ppm1=7.535 ppm2=1.939

assign ( resid 48 and name H
	 )
       ( resid 47 and name HG3
	 ) 3.2 0.6 0.6 volume=14928642.156 peak=245 ppm1=7.557 ppm2=1.949

assign ( resid 48 and name H
	 )
       ( resid 48 and name HB#
	 ) 2.6 0.5 0.5 volume=52149418.375 peak=246 ppm1=7.557 ppm2=1.261

assign ( resid 83 and name H
	 )
       ( resid 82 and name HD#
	 ) 4.2 0.8 0.8 volume=3003162.012 peak=249 ppm1=7.964 ppm2=7.118

assign ( resid 83 and name H
	 )
       ( resid 84 and name HD2
	 ) 4.3 0.9 0.9 volume=2517657.711 peak=250 ppm1=7.965 ppm2=6.727

assign ( resid 83 and name H
	 )
       ( resid 82 and name H
	 ) 2.9 0.6 0.6 volume=27841478.500 peak=251 ppm1=7.964 ppm2=7.473

assign ( resid 38 and name H
	 )
       ( resid 38 and name HA2
	 ) 3.2 0.6 0.6 volume=16958393.031 peak=252 ppm1=7.712 ppm2=4.057

assign ( resid 38 and name H
	 )
       ( resid 38 and name HA3
	 ) 3.1 0.6 0.6 volume=20644303.531 peak=253 ppm1=7.712 ppm2=3.703

assign ( resid 38 and name H
	 )
       ( resid 35 and name HA
	 ) 4.0 0.8 0.8 volume=4403544.555 peak=254 ppm1=7.711 ppm2=3.871

assign ( resid 38 and name H
	 )
       ( resid 37 and name HA
	 ) 3.6 0.7 0.7 volume=7853439.359 peak=255 ppm1=7.710 ppm2=4.237

assign ( resid 38 and name H
	 )
       ( resid 37 and name HB3
	 ) 3.9 0.8 0.8 volume=4564352.781 peak=256 ppm1=7.719 ppm2=1.280

assign ( resid 38 and name H
	 )
       ( resid 37 and name HD2#
	 ) 4.0 0.8 0.8 volume=3858222.898 peak=257 ppm1=7.715 ppm2=0.730

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB#
	 ) 3.0 0.6 0.6 volume=24825231.000 peak=258 ppm1=7.954 ppm2=1.265

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 3.3 0.7 0.7 volume=13283056.984 peak=259 ppm1=7.957 ppm2=4.056

assign ( resid 7 and name H
	 )
       ( resid 7 and name HB
	 ) 2.9 0.6 0.6 volume=28867686.812 peak=260 ppm1=7.956 ppm2=4.225

assign ( resid 35 and name H
	 )
       ( resid 34 and name HA
	 ) 3.7 0.7 0.7 volume=6697811.594 peak=261 ppm1=8.065 ppm2=3.628

assign ( resid 98 and name H
	 )
       ( resid 98 and name HA
	 ) 3.2 0.6 0.6 volume=16733776.812 peak=262 ppm1=8.054 ppm2=4.195

assign ( resid 35 and name H
	 )
       ( resid 35 and name HB
	 ) 2.8 0.6 0.6 volume=34265229.375 peak=263 ppm1=8.065 ppm2=4.294

assign ( resid 66 and name H
	 )
       ( resid 66 and name HA
	 ) 3.2 0.6 0.6 volume=15445104.031 peak=264 ppm1=8.819 ppm2=4.343

assign ( resid 90 and name H
	 )
       ( resid 90 and name HA
	 ) 3.0 0.6 0.6 volume=21355689.688 peak=265 ppm1=8.765 ppm2=4.031

assign ( resid 29 and name H
	 )
       ( resid 29 and name HA
	 ) 3.2 0.6 0.6 volume=16937057.719 peak=266 ppm1=8.740 ppm2=3.449

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB
	 ) 2.7 0.5 0.5 volume=40656488.250 peak=267 ppm1=8.744 ppm2=2.190

assign ( resid 29 and name H
	 )
       ( resid 29 and name HG2#
	 ) 2.7 0.5 0.5 volume=46425788.500 peak=268 ppm1=8.743 ppm2=0.997

assign ( resid 29 and name H
	 )
       ( resid 28 and name HD1#
	 ) 3.2 0.6 0.6 volume=15499144.406 peak=269 ppm1=8.744 ppm2=0.716

assign ( resid 29 and name H
	 )
       ( resid 28 and name HA
	 ) 3.1 0.6 0.6 volume=19474778.750 peak=270 ppm1=8.743 ppm2=4.151

assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 3.1 0.6 0.6 volume=18075666.312 peak=271 ppm1=8.308 ppm2=4.443

assign ( resid 102 and name H
	 )
       ( resid 102 and name HB2
	 ) 3.5 0.7 0.7 volume=8934248.109 peak=272 ppm1=7.996 ppm2=2.991

assign ( resid 102 and name H
	 )
       ( resid 101 and name HB2
	 ) 3.9 0.8 0.8 volume=4681328.928 peak=273 ppm1=7.995 ppm2=3.792

assign ( resid 94 and name H
	 )
       ( resid 94 and name HA
	 ) 3.3 0.7 0.7 volume=13640981.562 peak=274 ppm1=8.513 ppm2=3.483

assign ( resid 45 and name H
	 )
       ( resid 45 and name HG2#
	 ) 3.0 0.6 0.6 volume=24038415.250 peak=275 ppm1=7.531 ppm2=0.691

assign ( resid 25 and name H
	 )
       ( resid 25 and name HB3
	 ) 3.1 0.6 0.6 volume=20398316.062 peak=276 ppm1=7.883 ppm2=1.259

assign ( resid 45 and name H
	 )
       ( resid 45 and name HB
	 ) 2.9 0.6 0.6 volume=29538499.938 peak=278 ppm1=7.525 ppm2=2.129

assign ( resid 45 and name H
	 )
       ( resid 45 and name HG13
	 ) 2.9 0.6 0.6 volume=26690330.250 peak=279 ppm1=7.538 ppm2=1.394

assign ( resid 56 and name H
	 )
       ( resid 56 and name HB
	 ) 2.8 0.6 0.6 volume=33772354.812 peak=280 ppm1=7.543 ppm2=1.666

assign ( resid 45 and name H
	 )
       ( resid 44 and name HA
	 ) 3.3 0.7 0.7 volume=12382884.125 peak=281 ppm1=7.524 ppm2=4.364

assign ( resid 45 and name H
	 )
       ( resid 42 and name HA
	 ) 3.9 0.8 0.8 volume=5022247.250 peak=282 ppm1=7.537 ppm2=4.164

assign ( resid 45 and name H
	 )
       ( resid 45 and name HA
	 ) 3.1 0.6 0.6 volume=19159957.312 peak=283 ppm1=7.527 ppm2=3.961

assign ( resid 64 and name H
	 )
       ( resid 64 and name HD1#
	 ) 3.8 0.8 0.8 volume=5224813.195 peak=284 ppm1=8.584 ppm2=0.384

assign ( resid 64 and name H
	 )
       ( resid 64 and name HD2#
	 ) 3.5 0.7 0.7 volume=8670904.711 peak=285 ppm1=8.587 ppm2=0.711

assign ( resid 34 and name H
	 )
       ( resid 45 and name HG2#
	 ) 3.2 0.6 0.6 volume=15738837.000 peak=286 ppm1=8.380 ppm2=0.698

assign ( resid 64 and name H
	 )
       ( resid 36 and name HG1#
	 ) 3.3 0.7 0.7 volume=12529764.562 peak=287 ppm1=8.588 ppm2=0.940

assign ( resid 99 and name H
	 )
       ( resid 98 and name HB3
	 ) 3.4 0.7 0.7 volume=11357577.938 peak=288 ppm1=7.415 ppm2=1.665

assign ( resid 99 and name H
	 )
       ( resid 98 and name HB2
	 ) 3.8 0.8 0.8 volume=5998612.797 peak=289 ppm1=7.415 ppm2=1.398

assign ( resid 99 and name H
	 )
       ( resid 99 and name HG2#
	 ) 3.1 0.6 0.6 volume=20006246.281 peak=290 ppm1=7.416 ppm2=0.904

assign ( resid 99 and name H
	 )
       ( resid 99 and name HA
	 ) 3.1 0.6 0.6 volume=19277332.375 peak=291 ppm1=7.418 ppm2=4.389

assign ( resid 99 and name H
	 )
       ( resid 99 and name HB
	 ) 3.1 0.6 0.6 volume=19527249.625 peak=292 ppm1=7.415 ppm2=4.193

assign ( resid 99 and name H
	 )
       ( resid 96 and name HA
	 ) 4.0 0.8 0.8 volume=4384467.078 peak=293 ppm1=7.419 ppm2=3.626

assign ( resid 79 and name H
	 )
       ( resid 78 and name HB3
	 ) 3.0 0.6 0.6 volume=24884191.750 peak=294 ppm1=6.743 ppm2=1.993

assign ( resid 79 and name H
	 )
       ( resid 79 and name HG2#
	 ) 3.0 0.6 0.6 volume=24185114.688 peak=295 ppm1=6.743 ppm2=1.126

assign ( resid 72 and name H
	 )
       ( resid 72 and name HG2#
	 ) 3.1 0.6 0.6 volume=17738062.781 peak=296 ppm1=7.872 ppm2=1.120

assign ( resid 72 and name H
	 )
       ( resid 94 and name HD1#
	 ) 3.7 0.7 0.7 volume=7018074.844 peak=297 ppm1=7.872 ppm2=0.706

assign ( resid 72 and name H
	 )
       ( resid 71 and name HB2
	 ) 3.9 0.8 0.8 volume=5064498.031 peak=298 ppm1=7.870 ppm2=2.639

assign ( resid 55 and name H
	 )
       ( resid 56 and name HG13
	 ) 3.8 0.8 0.8 volume=5579097.047 peak=299 ppm1=7.427 ppm2=1.413

assign ( resid 55 and name H
	 )
       ( resid 54 and name HD2#
	 ) 3.6 0.7 0.7 volume=7973182.906 peak=300 ppm1=7.418 ppm2=0.705

assign ( resid 57 and name H
	 )
       ( resid 56 and name HG2#
	 ) 3.0 0.6 0.6 volume=23438398.188 peak=301 ppm1=7.992 ppm2=0.653

assign ( resid 55 and name H
	 )
       ( resid 56 and name H
	 ) 3.0 0.6 0.6 volume=25657739.250 peak=302 ppm1=7.419 ppm2=7.554

assign ( resid 55 and name H
	 )
       ( resid 54 and name HA
	 ) 3.4 0.7 0.7 volume=10875466.141 peak=303 ppm1=7.420 ppm2=4.290

assign ( resid 55 and name H
	 )
       ( resid 54 and name HB3
	 ) 4.2 0.8 0.8 volume=3220771.668 peak=304 ppm1=7.419 ppm2=2.057

assign ( resid 55 and name H
	 )
       ( resid 56 and name HB
	 ) 3.5 0.7 0.7 volume=9835140.969 peak=305 ppm1=7.419 ppm2=1.653

assign ( resid 72 and name H
	 )
       ( resid 28 and name HD2#
	 ) 3.8 0.8 0.8 volume=5753445.922 peak=306 ppm1=7.872 ppm2=0.786

assign ( resid 72 and name H
	 )
       ( resid 71 and name HB3
	 ) 3.9 0.8 0.8 volume=4681876.328 peak=307 ppm1=7.870 ppm2=2.724

assign ( resid 99 and name H
	 )
       ( resid 98 and name HD2#
	 ) 3.7 0.7 0.7 volume=6742338.438 peak=308 ppm1=7.419 ppm2=0.745

assign ( resid 81 and name H
	 )
       ( resid 81 and name HG2#
	 ) 3.7 0.7 0.7 volume=6745483.734 peak=309 ppm1=8.074 ppm2=0.209

assign ( resid 81 and name H
	 )
       ( resid 81 and name HG12
	 ) 3.3 0.7 0.7 volume=13084095.844 peak=310 ppm1=8.075 ppm2=1.034

assign ( resid 81 and name H
	 )
       ( resid 81 and name HB
	 ) 3.1 0.6 0.6 volume=20533856.969 peak=311 ppm1=8.076 ppm2=1.564

assign ( resid 81 and name H
	 )
       ( resid 81 and name HA
	 ) 3.5 0.7 0.7 volume=9660801.328 peak=312 ppm1=8.081 ppm2=3.803

assign ( resid 81 and name H
	 )
       ( resid 78 and name HA
	 ) 4.0 0.8 0.8 volume=3881621.789 peak=313 ppm1=8.080 ppm2=4.002

assign ( resid 81 and name H
	 )
       ( resid 80 and name H
	 ) 3.9 0.8 0.8 volume=5032735.789 peak=314 ppm1=8.072 ppm2=7.334

assign ( resid 81 and name H
	 )
       ( resid 82 and name H
	 ) 3.4 0.7 0.7 volume=11268792.625 peak=315 ppm1=8.075 ppm2=7.478

assign ( resid 71 and name HD21
	 )
       ( resid 71 and name HD22
	 ) 2.3 0.5 0.5 volume=81734564.125 peak=316 ppm1=7.228 ppm2=7.349

assign ( resid 71 and name HD22
	 )
       ( resid 28 and name HD2#
	 ) 3.9 0.8 0.8 volume=5037950.906 peak=318 ppm1=7.354 ppm2=0.784

assign ( resid 14 and name HD22
	 )
       ( resid 14 and name HB2
	 ) 3.2 0.6 0.6 volume=15527300.500 peak=319 ppm1=7.681 ppm2=2.812

assign ( resid 14 and name HD21
	 )
       ( resid 14 and name HB2
	 ) 3.5 0.7 0.7 volume=8791905.984 peak=320 ppm1=6.990 ppm2=2.817

assign ( resid 14 and name HD22
	 )
       ( resid 14 and name HA
	 ) 4.2 0.8 0.8 volume=3088643.508 peak=321 ppm1=7.682 ppm2=4.380

assign ( resid 14 and name HD21
	 )
       ( resid 14 and name HA
	 ) 4.1 0.8 0.8 volume=3546170.258 peak=322 ppm1=6.987 ppm2=4.360

assign ( resid 14 and name HD21
	 )
       ( resid 11 and name HA
	 ) 4.1 0.8 0.8 volume=3625563.328 peak=323 ppm1=6.983 ppm2=4.144

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 3.0 0.6 0.6 volume=21162489.938 peak=324 ppm1=7.534 ppm2=4.366

assign ( resid 14 and name H
	 )
       ( resid 13 and name HA
	 ) 3.1 0.6 0.6 volume=18461456.500 peak=325 ppm1=7.535 ppm2=4.099

assign ( resid 14 and name H
	 )
       ( resid 10 and name HB#
	 ) 3.7 0.7 0.7 volume=6522261.688 peak=326 ppm1=7.535 ppm2=1.444

assign ( resid 14 and name H
	 )
       ( resid 13 and name HB2
	 ) 3.6 0.7 0.7 volume=7164247.766 peak=327 ppm1=7.535 ppm2=1.349

assign ( resid 14 and name H
	 )
       ( resid 13 and name HD2#
	 ) 3.4 0.7 0.7 volume=11024854.562 peak=328 ppm1=7.535 ppm2=0.763

assign ( resid 16 and name H
	 )
       ( resid 13 and name HA
	 ) 3.6 0.7 0.7 volume=7303031.852 peak=329 ppm1=7.357 ppm2=4.077

assign ( resid 53 and name H
	 )
       ( resid 52 and name HA
	 ) 3.4 0.7 0.7 volume=11256289.219 peak=330 ppm1=7.125 ppm2=4.306

assign ( resid 53 and name H
	 )
       ( resid 52 and name HB2
	 ) 2.9 0.6 0.6 volume=29122520.375 peak=331 ppm1=7.126 ppm2=1.703

assign ( resid 37 and name H
	 )
       ( resid 37 and name HB3
	 ) 3.2 0.6 0.6 volume=15956732.875 peak=332 ppm1=7.659 ppm2=1.291

assign ( resid 37 and name H
	 )
       ( resid 36 and name HG1#
	 ) 3.3 0.7 0.7 volume=12046456.312 peak=333 ppm1=7.659 ppm2=0.959

assign ( resid 37 and name H
	 )
       ( resid 37 and name HD1#
	 ) 3.1 0.6 0.6 volume=20151959.969 peak=334 ppm1=7.659 ppm2=0.719

assign ( resid 37 and name H
	 )
       ( resid 37 and name HB2
	 ) 3.3 0.7 0.7 volume=13532101.781 peak=335 ppm1=7.658 ppm2=1.495

assign ( resid 37 and name H
	 )
       ( resid 36 and name HB
	 ) 3.8 0.8 0.8 volume=5783300.570 peak=336 ppm1=7.658 ppm2=2.122

assign ( resid 37 and name H
	 )
       ( resid 34 and name HA
	 ) 3.6 0.7 0.7 volume=7415551.266 peak=337 ppm1=7.658 ppm2=3.640

assign ( resid 37 and name H
	 )
       ( resid 37 and name HA
	 ) 3.3 0.7 0.7 volume=13934839.906 peak=338 ppm1=7.660 ppm2=4.241

assign ( resid 37 and name H
	 )
       ( resid 36 and name HA
	 ) 3.7 0.7 0.7 volume=6712778.398 peak=339 ppm1=7.659 ppm2=3.902

assign ( resid 72 and name H
	 )
       ( resid 74 and name H
	 ) 4.0 0.8 0.8 volume=2299795.434 peak=340 ppm1=7.873 ppm2=7.640

assign ( resid 74 and name H
	 )
       ( resid 74 and name HA
	 ) 3.4 0.7 0.7 volume=11372432.328 peak=341 ppm1=7.649 ppm2=4.256

assign ( resid 74 and name H
	 )
       ( resid 73 and name HA3
	 ) 3.1 0.6 0.6 volume=20088372.438 peak=342 ppm1=7.650 ppm2=4.084

assign ( resid 74 and name H
	 )
       ( resid 73 and name HA2
	 ) 3.7 0.7 0.7 volume=6699188.328 peak=343 ppm1=7.652 ppm2=3.818

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB3
	 ) 3.1 0.6 0.6 volume=18653555.375 peak=344 ppm1=7.651 ppm2=1.549

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB2
	 ) 3.3 0.7 0.7 volume=12497156.125 peak=345 ppm1=7.652 ppm2=0.996

assign ( resid 74 and name H
	 )
       ( resid 74 and name HD2#
	 ) 3.1 0.6 0.6 volume=20346221.688 peak=346 ppm1=7.651 ppm2=0.693

assign ( resid 56 and name H
	 )
       ( resid 52 and name HA
	 ) 3.4 0.7 0.7 volume=10479145.594 peak=347 ppm1=7.545 ppm2=4.277

assign ( resid 56 and name H
	 )
       ( resid 55 and name HA2
	 ) 3.6 0.7 0.7 volume=8098643.297 peak=348 ppm1=7.543 ppm2=3.683

assign ( resid 56 and name H
	 )
       ( resid 56 and name HA
	 ) 3.3 0.7 0.7 volume=12613982.859 peak=349 ppm1=7.542 ppm2=3.978

assign ( resid 56 and name H
	 )
       ( resid 51 and name HB2
	 ) 4.1 0.8 0.8 volume=3536012.617 peak=350 ppm1=7.544 ppm2=2.753

assign ( resid 76 and name H
	 )
       ( resid 76 and name HB2
	 ) 3.0 0.6 0.6 volume=22359588.375 peak=351 ppm1=7.869 ppm2=1.534

assign ( resid 76 and name H
	 )
       ( resid 75 and name HB3
	 ) 4.0 0.8 0.8 volume=4021281.141 peak=352 ppm1=7.868 ppm2=2.470

assign ( resid 46 and name H
	 )
       ( resid 45 and name HG12
	 ) 4.1 0.8 0.8 volume=3425018.828 peak=353 ppm1=8.222 ppm2=1.623

assign ( resid 46 and name H
	 )
       ( resid 45 and name HG2#
	 ) 3.2 0.6 0.6 volume=14971141.156 peak=354 ppm1=8.224 ppm2=0.703

assign ( resid 46 and name H
	 )
       ( resid 54 and name HD1#
	 ) 3.7 0.7 0.7 volume=6276290.047 peak=355 ppm1=8.228 ppm2=0.846

assign ( resid 9 and name H
	 )
       ( resid 9 and name HD1#
	 ) 3.2 0.6 0.6 volume=16963692.469 peak=356 ppm1=8.160 ppm2=0.833

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB3
	 ) 2.9 0.6 0.6 volume=26376534.375 peak=357 ppm1=8.161 ppm2=1.899

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB2
	 ) 3.0 0.6 0.6 volume=24323297.000 peak=358 ppm1=8.161 ppm2=1.627

assign ( resid 9 and name H
	 )
       ( resid 9 and name HG
	 ) 3.2 0.6 0.6 volume=14986505.344 peak=359 ppm1=8.163 ppm2=1.490

assign ( resid 9 and name H
	 )
       ( resid 8 and name HB3
	 ) 3.2 0.6 0.6 volume=15150799.125 peak=360 ppm1=8.161 ppm2=2.689

assign ( resid 9 and name H
	 )
       ( resid 8 and name HA
	 ) 3.2 0.6 0.6 volume=16369973.156 peak=361 ppm1=8.161 ppm2=4.454

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 3.1 0.6 0.6 volume=20542942.812 peak=362 ppm1=8.159 ppm2=4.065

assign ( resid 9 and name H
	 )
       ( resid 6 and name HA
	 ) 3.5 0.7 0.7 volume=9375542.594 peak=363 ppm1=8.163 ppm2=4.188

assign ( resid 57 and name H
	 )
       ( resid 56 and name HB
	 ) 4.1 0.8 0.8 volume=3658687.961 peak=364 ppm1=7.980 ppm2=1.661

assign ( resid 57 and name H
	 )
       ( resid 60 and name HG2#
	 ) 3.7 0.7 0.7 volume=6626630.547 peak=365 ppm1=7.987 ppm2=1.334

assign ( resid 61 and name H
	 )
       ( resid 59 and name HB2
	 ) 4.2 0.8 0.8 volume=3156562.922 peak=366 ppm1=8.947 ppm2=2.006

assign ( resid 61 and name H
	 )
       ( resid 64 and name HB3
	 ) 4.0 0.8 0.8 volume=4412015.023 peak=367 ppm1=8.947 ppm2=1.766

assign ( resid 61 and name H
	 )
       ( resid 60 and name HA
	 ) 3.4 0.7 0.7 volume=11743164.750 peak=368 ppm1=8.949 ppm2=4.024

assign ( resid 26 and name H
	 )
       ( resid 23 and name HA
	 ) 3.1 0.6 0.6 volume=18345737.875 peak=369 ppm1=9.015 ppm2=4.031

assign ( resid 64 and name H
	 )
       ( resid 63 and name HB2
	 ) 3.1 0.6 0.6 volume=18060595.562 peak=370 ppm1=8.591 ppm2=2.037

assign ( resid 64 and name H
	 )
       ( resid 64 and name HB3
	 ) 3.1 0.6 0.6 volume=20267090.938 peak=371 ppm1=8.589 ppm2=1.793

assign ( resid 64 and name H
	 )
       ( resid 64 and name HB2
	 ) 3.0 0.6 0.6 volume=21860615.969 peak=372 ppm1=8.589 ppm2=1.358

assign ( resid 64 and name H
	 )
       ( resid 64 and name HG
	 ) 3.5 0.7 0.7 volume=8463592.609 peak=373 ppm1=8.591 ppm2=1.243

assign ( resid 64 and name H
	 )
       ( resid 61 and name HA
	 ) 3.7 0.7 0.7 volume=6264598.781 peak=374 ppm1=8.594 ppm2=3.633

assign ( resid 64 and name H
	 )
       ( resid 63 and name HA
	 ) 3.4 0.7 0.7 volume=10233268.688 peak=375 ppm1=8.598 ppm2=4.069

assign ( resid 64 and name H
	 )
       ( resid 64 and name HA
	 ) 3.2 0.6 0.6 volume=14859451.875 peak=376 ppm1=8.592 ppm2=3.931

assign ( resid 29 and name H
	 )
       ( resid 28 and name HB2
	 ) 2.9 0.6 0.6 volume=28361318.125 peak=377 ppm1=8.754 ppm2=1.926

assign ( resid 29 and name H
	 )
       ( resid 30 and name HB#
	 ) 3.0 0.6 0.6 volume=25187030.750 peak=378 ppm1=8.744 ppm2=1.612

assign ( resid 90 and name H
	 )
       ( resid 90 and name HB3
	 ) 2.9 0.6 0.6 volume=31199831.125 peak=379 ppm1=8.762 ppm2=2.169

assign ( resid 90 and name H
	 )
       ( resid 89 and name HB#
	 ) 3.0 0.6 0.6 volume=22551427.031 peak=380 ppm1=8.767 ppm2=1.637

assign ( resid 90 and name H
	 )
       ( resid 90 and name HD2#
	 ) 3.0 0.6 0.6 volume=24138169.969 peak=381 ppm1=8.767 ppm2=0.968

assign ( resid 66 and name H
	 )
       ( resid 65 and name HB2
	 ) 3.2 0.6 0.6 volume=17256357.688 peak=382 ppm1=8.820 ppm2=2.055

assign ( resid 66 and name H
	 )
       ( resid 66 and name HB2
	 ) 3.1 0.6 0.6 volume=17860495.219 peak=383 ppm1=8.820 ppm2=3.009

assign ( resid 66 and name H
	 )
       ( resid 66 and name HB3
	 ) 3.4 0.7 0.7 volume=10187329.375 peak=384 ppm1=8.819 ppm2=2.827

assign ( resid 66 and name H
	 )
       ( resid 63 and name HA
	 ) 3.2 0.6 0.6 volume=16346682.594 peak=385 ppm1=8.818 ppm2=4.078

assign ( resid 17 and name H
	 )
       ( resid 17 and name HA
	 ) 2.6 0.5 0.5 volume=52761212.000 peak=386 ppm1=8.837 ppm2=4.630

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB3
	 ) 3.4 0.7 0.7 volume=10735371.688 peak=387 ppm1=8.826 ppm2=4.374

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB2
	 ) 3.1 0.6 0.6 volume=19914944.375 peak=388 ppm1=8.836 ppm2=3.991

assign ( resid 17 and name H
	 )
       ( resid 20 and name HB3
	 ) 3.0 0.6 0.6 volume=25446998.125 peak=389 ppm1=8.835 ppm2=2.401

assign ( resid 17 and name H
	 )
       ( resid 20 and name HB2
	 ) 3.5 0.7 0.7 volume=9748121.906 peak=390 ppm1=8.838 ppm2=2.042

assign ( resid 17 and name H
	 )
       ( resid 16 and name HB3
	 ) 3.3 0.7 0.7 volume=13157992.719 peak=391 ppm1=8.835 ppm2=1.607

assign ( resid 17 and name H
	 )
       ( resid 16 and name HD2#
	 ) 3.1 0.6 0.6 volume=18221398.188 peak=392 ppm1=8.836 ppm2=0.774

assign ( resid 91 and name H
	 )
       ( resid 91 and name HG2#
	 ) 3.1 0.6 0.6 volume=20557994.844 peak=393 ppm1=8.882 ppm2=1.003

assign ( resid 91 and name H
	 )
       ( resid 90 and name HB3
	 ) 3.4 0.7 0.7 volume=11014079.406 peak=394 ppm1=8.883 ppm2=2.151

assign ( resid 91 and name H
	 )
       ( resid 90 and name HB2
	 ) 3.5 0.7 0.7 volume=8795069.344 peak=395 ppm1=8.881 ppm2=1.932

assign ( resid 91 and name H
	 )
       ( resid 91 and name HA
	 ) 3.4 0.7 0.7 volume=11736130.719 peak=396 ppm1=8.882 ppm2=3.458

assign ( resid 91 and name H
	 )
       ( resid 91 and name HB
	 ) 3.0 0.6 0.6 volume=24705958.688 peak=397 ppm1=8.880 ppm2=4.341

assign ( resid 91 and name H
	 )
       ( resid 88 and name HA
	 ) 3.8 0.8 0.8 volume=5781894.000 peak=398 ppm1=8.880 ppm2=4.171

assign ( resid 88 and name H
	 )
       ( resid 47 and name HB3
	 ) 3.8 0.8 0.8 volume=5254687.234 peak=399 ppm1=8.986 ppm2=2.376

assign ( resid 43 and name H
	 )
       ( resid 43 and name HB3
	 ) 3.0 0.6 0.6 volume=22193372.062 peak=400 ppm1=9.011 ppm2=1.979

assign ( resid 95 and name H
	 )
       ( resid 94 and name HB3
	 ) 3.5 0.7 0.7 volume=8505558.250 peak=401 ppm1=8.570 ppm2=1.124

assign ( resid 95 and name H
	 )
       ( resid 25 and name HD1#
	 ) 3.0 0.6 0.6 volume=21972869.812 peak=402 ppm1=8.567 ppm2=0.769

assign ( resid 95 and name H
	 )
       ( resid 94 and name HB2
	 ) 3.3 0.7 0.7 volume=13058776.938 peak=403 ppm1=8.569 ppm2=1.976

assign ( resid 94 and name H
	 )
       ( resid 94 and name HB3
	 ) 3.4 0.7 0.7 volume=10679583.797 peak=404 ppm1=8.511 ppm2=1.122

assign ( resid 94 and name H
	 )
       ( resid 91 and name HG2#
	 ) 3.5 0.7 0.7 volume=8672280.547 peak=405 ppm1=8.510 ppm2=0.984

assign ( resid 94 and name H
	 )
       ( resid 94 and name HD1#
	 ) 3.0 0.6 0.6 volume=25102743.375 peak=406 ppm1=8.510 ppm2=0.727

assign ( resid 19 and name H
	 )
       ( resid 19 and name HG2
	 ) 3.2 0.6 0.6 volume=15675214.938 peak=407 ppm1=8.503 ppm2=2.420

assign ( resid 19 and name H
	 )
       ( resid 19 and name HB3
	 ) 2.7 0.5 0.5 volume=48796163.250 peak=408 ppm1=8.506 ppm2=2.029

assign ( resid 94 and name H
	 )
       ( resid 93 and name HB3
	 ) 3.5 0.7 0.7 volume=9746203.781 peak=409 ppm1=8.511 ppm2=2.815

assign ( resid 19 and name H
	 )
       ( resid 19 and name HA
	 ) 3.1 0.6 0.6 volume=18169916.281 peak=410 ppm1=8.497 ppm2=3.982

assign ( resid 94 and name H
	 )
       ( resid 93 and name HA
	 ) 3.9 0.8 0.8 volume=4885335.672 peak=411 ppm1=8.515 ppm2=4.187

assign ( resid 19 and name H
	 )
       ( resid 18 and name HA
	 ) 3.8 0.8 0.8 volume=5278414.469 peak=412 ppm1=8.496 ppm2=4.372

assign ( resid 94 and name H
	 )
       ( resid 93 and name HD2
	 ) 4.0 0.8 0.8 volume=4009844.828 peak=413 ppm1=8.513 ppm2=5.990

assign ( resid 94 and name H
	 )
       ( resid 93 and name H
	 ) 3.1 0.6 0.6 volume=18937171.219 peak=414 ppm1=8.505 ppm2=7.802

assign ( resid 60 and name H
	 )
       ( resid 60 and name HB
	 ) 3.4 0.7 0.7 volume=11534282.125 peak=415 ppm1=8.844 ppm2=4.116

assign ( resid 73 and name H
	 )
       ( resid 72 and name HG2#
	 ) 4.0 0.8 0.8 volume=3929115.441 peak=416 ppm1=8.156 ppm2=1.106

assign ( resid 58 and name H
	 )
       ( resid 58 and name HB3
	 ) 4.3 0.9 0.9 volume=2713639.762 peak=417 ppm1=8.601 ppm2=3.939

assign ( resid 58 and name H
	 )
       ( resid 57 and name HB3
	 ) 4.3 0.9 0.9 volume=2556253.789 peak=418 ppm1=8.603 ppm2=3.201

assign ( resid 86 and name H
	 )
       ( resid 51 and name HD#
	 ) 4.2 0.8 0.8 volume=2961223.781 peak=419 ppm1=7.379 ppm2=7.060

assign ( resid 86 and name H
	 )
       ( resid 85 and name HD3
	 ) 4.5 0.9 0.9 volume=2144759.992 peak=420 ppm1=7.366 ppm2=3.335

assign ( resid 72 and name H
	 )
       ( resid 73 and name HA2
	 ) 4.2 0.8 0.8 volume=3125226.680 peak=421 ppm1=7.871 ppm2=3.810

assign ( resid 55 and name H
	 )
       ( resid 51 and name HB3
	 or resid 53 and name HB3
	 ) 4.3 0.9 0.9 volume=2552773.785 peak=422 ppm1=7.418 ppm2=2.733

assign ( resid 82 and name H
	 )
       ( resid 81 and name HG2#
	 ) 4.4 0.9 0.9 volume=2486693.334 peak=423 ppm1=7.475 ppm2=0.217

assign ( resid 14 and name HD21
	 )
       ( resid 10 and name HA
	 or resid 15 and name HA2
	 ) 4.3 0.9 0.9 volume=2499070.801 peak=424 ppm1=6.982 ppm2=3.918

assign ( resid 14 and name HD22
	 )
       ( resid 11 and name HB#
	 ) 4.2 0.8 0.8 volume=3138963.422 peak=425 ppm1=7.681 ppm2=1.469

assign ( resid 14 and name HD21
	 )
       ( resid 11 and name HB#
	 ) 4.5 0.9 0.9 volume=2059629.113 peak=426 ppm1=6.991 ppm2=1.465

assign ( resid 71 and name HD21
	 )
       ( resid 71 and name H
	 ) 4.4 0.9 0.9 volume=2438210.066 peak=427 ppm1=7.222 ppm2=8.176

assign ( resid 66 and name HD22
	 )
       ( resid 66 and name H
	 ) 4.3 0.9 0.9 volume=2860385.965 peak=428 ppm1=7.775 ppm2=8.826

assign ( resid 66 and name HD21
	 )
       ( resid 66 and name HD22
	 ) 2.4 0.5 0.5 volume=79888864.000 peak=430 ppm1=6.892 ppm2=7.778

assign ( resid 65 and name HE
	 )
       ( resid 65 and name HB3
	 ) 4.1 0.8 0.8 volume=3386705.719 peak=431 ppm1=6.801 ppm2=2.068

assign ( resid 65 and name HE
	 )
       ( resid 65 and name HB2
	 ) 4.2 0.8 0.8 volume=3283076.203 peak=432 ppm1=6.812 ppm2=2.008

assign ( resid 65 and name HE
	 )
       ( resid 65 and name HG2
	 ) 4.0 0.8 0.8 volume=3857201.078 peak=433 ppm1=6.807 ppm2=1.898

assign ( resid 65 and name HE
	 )
       ( resid 65 and name HD3
	 ) 3.9 0.8 0.8 volume=4753656.219 peak=434 ppm1=6.809 ppm2=2.977

assign ( resid 72 and name H
	 )
       ( resid 72 and name HA
	 ) 3.0 0.6 0.6 volume=25523272.062 peak=435 ppm1=7.876 ppm2=4.491

assign ( resid 38 and name H
	 )
       ( resid 37 and name HB2
	 ) 4.4 0.9 0.9 volume=2211734.332 peak=436 ppm1=7.707 ppm2=1.493

assign ( resid 71 and name H
	 )
       ( resid 71 and name HB3
	 ) 3.1 0.6 0.6 volume=17706772.469 peak=437 ppm1=8.168 ppm2=2.732

assign ( resid 71 and name H
	 )
       ( resid 67 and name HG2#
	 ) 4.1 0.8 0.8 volume=3380922.273 peak=438 ppm1=8.162 ppm2=1.256

assign ( resid 7 and name H
	 )
       ( resid 10 and name HB#
	 ) 4.1 0.8 0.8 volume=3530021.500 peak=439 ppm1=7.957 ppm2=1.469

assign ( resid 7 and name H
	 )
       ( resid 7 and name HG2#
	 ) 3.1 0.6 0.6 volume=20267389.719 peak=440 ppm1=7.958 ppm2=1.187

assign ( resid 44 and name H
	 )
       ( resid 43 and name HA
	 ) 3.3 0.7 0.7 volume=12920077.688 peak=441 ppm1=8.044 ppm2=4.047

assign ( resid 44 and name H
	 )
       ( resid 43 and name HG2
	 ) 4.0 0.8 0.8 volume=4000884.773 peak=442 ppm1=8.039 ppm2=2.238

assign ( resid 44 and name H
	 )
       ( resid 43 and name HB3
	 ) 3.5 0.7 0.7 volume=9784561.719 peak=443 ppm1=8.038 ppm2=1.977

assign ( resid 35 and name H
	 )
       ( resid 45 and name HD1#
	 ) 4.2 0.8 0.8 volume=3299665.021 peak=444 ppm1=8.053 ppm2=0.700

assign ( resid 35 and name H
	 )
       ( resid 32 and name HA
	 ) 3.3 0.7 0.7 volume=12093941.969 peak=445 ppm1=8.060 ppm2=4.083

assign ( resid 35 and name H
	 )
       ( resid 35 and name HA
	 ) 3.0 0.6 0.6 volume=21947996.188 peak=446 ppm1=8.064 ppm2=3.865

assign ( resid 35 and name H
	 )
       ( resid 34 and name HB#
	 ) 3.0 0.6 0.6 volume=23991514.562 peak=447 ppm1=8.064 ppm2=1.301

assign ( resid 35 and name H
	 )
       ( resid 35 and name HG2#
	 ) 3.1 0.6 0.6 volume=20968461.000 peak=448 ppm1=8.065 ppm2=1.218

assign ( resid 35 and name H
	 )
       ( resid 36 and name HG1#
	 ) 4.2 0.8 0.8 volume=3173867.633 peak=449 ppm1=8.058 ppm2=0.947

assign ( resid 48 and name H
	 )
       ( resid 47 and name HA
	 ) 4.2 0.8 0.8 volume=2908268.783 peak=450 ppm1=7.546 ppm2=4.142

assign ( resid 48 and name H
	 )
       ( resid 47 and name HB3
	 ) 4.2 0.8 0.8 volume=3018469.924 peak=451 ppm1=7.551 ppm2=2.348

assign ( resid 4 and name H
	 )
       ( resid 3 and name HA
	 ) 3.5 0.7 0.7 volume=9205585.938 peak=452 ppm1=8.395 ppm2=4.306

assign ( resid 4 and name H
	 )
       ( resid 4 and name HB2
	 ) 4.2 0.8 0.8 volume=2968714.797 peak=453 ppm1=8.399 ppm2=3.803

assign ( resid 4 and name H
	 )
       ( resid 2 and name HB#
	 ) 4.1 0.8 0.8 volume=3406413.445 peak=454 ppm1=8.393 ppm2=1.371

assign ( resid 13 and name H
	 )
       ( resid 13 and name HA
	 ) 3.0 0.6 0.6 volume=23598133.688 peak=457 ppm1=8.143 ppm2=4.084

assign ( resid 13 and name H
	 )
       ( resid 10 and name HA
	 ) 3.7 0.7 0.7 volume=6156071.031 peak=458 ppm1=8.143 ppm2=3.883

assign ( resid 13 and name H
	 )
       ( resid 14 and name HB2
	 ) 3.9 0.8 0.8 volume=4773058.859 peak=459 ppm1=8.141 ppm2=2.815

assign ( resid 13 and name H
	 )
       ( resid 13 and name HB3
	 ) 2.6 0.5 0.5 volume=54598059.625 peak=460 ppm1=8.143 ppm2=1.948

assign ( resid 13 and name H
	 )
       ( resid 13 and name HB2
	 ) 3.2 0.6 0.6 volume=15193513.312 peak=461 ppm1=8.144 ppm2=1.342

assign ( resid 13 and name H
	 )
       ( resid 13 and name HD2#
	 ) 2.9 0.6 0.6 volume=28416039.562 peak=462 ppm1=8.144 ppm2=0.765

assign ( resid 19 and name H
	 )
       ( resid 21 and name H
	 ) 4.3 0.9 0.9 volume=2531459.445 peak=463 ppm1=8.515 ppm2=9.140

assign ( resid 52 and name H
	 )
       ( resid 54 and name HD2#
	 ) 4.4 0.9 0.9 volume=2322876.525 peak=464 ppm1=9.137 ppm2=0.682

assign ( resid 66 and name H
	 )
       ( resid 65 and name HG3
	 ) 4.4 0.9 0.9 volume=2451743.691 peak=465 ppm1=8.825 ppm2=1.316

assign ( resid 66 and name H
	 )
       ( resid 65 and name HG2
	 ) 3.9 0.8 0.8 volume=4785192.281 peak=466 ppm1=8.821 ppm2=1.864

assign ( resid 66 and name H
	 )
       ( resid 65 and name HA
	 ) 4.3 0.9 0.9 volume=2739148.703 peak=467 ppm1=8.824 ppm2=3.645

assign ( resid 66 and name HD21
	 )
       ( resid 66 and name H
	 ) 4.2 0.8 0.8 volume=3257435.398 peak=468 ppm1=6.887 ppm2=8.811

assign ( resid 90 and name H
	 )
       ( resid 92 and name H
	 ) 4.2 0.8 0.8 volume=3210007.242 peak=469 ppm1=8.770 ppm2=7.791

assign ( resid 90 and name H
	 )
       ( resid 51 and name HZ
	 ) 4.5 0.9 0.9 volume=2027128.021 peak=470 ppm1=8.755 ppm2=6.830

assign ( resid 67 and name H
	 )
       ( resid 64 and name HD2#
	 ) 3.8 0.8 0.8 volume=5782599.688 peak=472 ppm1=8.522 ppm2=0.737

assign ( resid 67 and name H
	 )
       ( resid 67 and name HG2#
	 ) 3.5 0.7 0.7 volume=9410936.969 peak=473 ppm1=8.520 ppm2=1.244

assign ( resid 67 and name H
	 )
       ( resid 66 and name HB2
	 ) 3.5 0.7 0.7 volume=9189929.438 peak=474 ppm1=8.519 ppm2=3.012

assign ( resid 67 and name H
	 )
       ( resid 66 and name HB3
	 ) 3.6 0.7 0.7 volume=7718732.000 peak=475 ppm1=8.520 ppm2=2.828

assign ( resid 67 and name H
	 )
       ( resid 67 and name HB
	 ) 2.9 0.6 0.6 volume=26877976.438 peak=476 ppm1=8.520 ppm2=4.242

assign ( resid 67 and name H
	 )
       ( resid 67 and name HA
	 ) 3.0 0.6 0.6 volume=22977054.062 peak=477 ppm1=8.518 ppm2=4.072

assign ( resid 67 and name H
	 )
       ( resid 64 and name HA
	 ) 4.0 0.8 0.8 volume=4314744.812 peak=478 ppm1=8.520 ppm2=3.925

assign ( resid 29 and name H
	 )
       ( resid 31 and name H
	 ) 3.6 0.7 0.7 volume=4721151.965 peak=479 ppm1=8.737 ppm2=8.554

assign ( resid 31 and name H
	 )
       ( resid 31 and name HA
	 ) 2.9 0.6 0.6 volume=30974684.500 peak=481 ppm1=8.530 ppm2=3.994

assign ( resid 31 and name H
	 )
       ( resid 42 and name HB2
	 ) 3.9 0.8 0.8 volume=4856722.484 peak=482 ppm1=8.529 ppm2=2.081

assign ( resid 31 and name H
	 )
       ( resid 42 and name HG2
	 ) 4.2 0.8 0.8 volume=3263304.363 peak=483 ppm1=8.533 ppm2=1.948

assign ( resid 31 and name H
	 )
       ( resid 31 and name HB#
	 ) 2.5 0.5 0.5 volume=67572821.500 peak=484 ppm1=8.529 ppm2=1.496

assign ( resid 31 and name H
	 )
       ( resid 34 and name HB#
	 ) 3.6 0.7 0.7 volume=7208207.859 peak=485 ppm1=8.528 ppm2=1.296

assign ( resid 75 and name H
	 )
       ( resid 76 and name H
	 ) 4.0 0.8 0.8 volume=4382195.992 peak=486 ppm1=8.501 ppm2=7.836

assign ( resid 75 and name H
	 )
       ( resid 75 and name HA
	 ) 3.4 0.7 0.7 volume=11156938.953 peak=488 ppm1=8.497 ppm2=4.568

assign ( resid 75 and name H
	 )
       ( resid 74 and name HA
	 ) 2.7 0.5 0.5 volume=41011886.062 peak=489 ppm1=8.499 ppm2=4.250

assign ( resid 75 and name H
	 )
       ( resid 75 and name HB2
	 ) 3.2 0.6 0.6 volume=16175768.438 peak=490 ppm1=8.500 ppm2=2.624

assign ( resid 75 and name H
	 )
       ( resid 75 and name HB3
	 ) 3.2 0.6 0.6 volume=16158969.234 peak=491 ppm1=8.499 ppm2=2.466

assign ( resid 75 and name H
	 )
       ( resid 74 and name HB2
	 ) 3.5 0.7 0.7 volume=9771861.094 peak=492 ppm1=8.503 ppm2=0.994

assign ( resid 75 and name H
	 )
       ( resid 74 and name HD2#
	 ) 3.2 0.6 0.6 volume=16796695.250 peak=493 ppm1=8.504 ppm2=0.697

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA
	 ) 3.9 0.8 0.8 volume=4702440.805 peak=494 ppm1=8.577 ppm2=4.269

assign ( resid 11 and name H
	 )
       ( resid 10 and name H
	 ) 3.0 0.6 0.6 volume=20880742.688 peak=495 ppm1=7.788 ppm2=8.131

assign ( resid 10 and name H
	 )
       ( resid 8 and name HA
	 ) 4.1 0.8 0.8 volume=3394217.219 peak=496 ppm1=8.131 ppm2=4.470

assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 3.2 0.6 0.6 volume=14521057.031 peak=497 ppm1=8.128 ppm2=4.073

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 3.1 0.6 0.6 volume=20013454.469 peak=498 ppm1=8.129 ppm2=3.888

assign ( resid 10 and name H
	 )
       ( resid 6 and name HA
	 ) 3.8 0.8 0.8 volume=5392440.016 peak=499 ppm1=8.132 ppm2=4.205

assign ( resid 10 and name H
	 )
       ( resid 9 and name HB3
	 ) 3.1 0.6 0.6 volume=17783215.656 peak=500 ppm1=8.129 ppm2=1.903

assign ( resid 10 and name H
	 )
       ( resid 10 and name HB#
	 ) 2.6 0.5 0.5 volume=61351674.125 peak=501 ppm1=8.128 ppm2=1.459

assign ( resid 10 and name H
	 )
       ( resid 9 and name HD2#
	 ) 3.3 0.7 0.7 volume=14120837.750 peak=502 ppm1=8.128 ppm2=0.838

assign ( resid 69 and name H
	 )
       ( resid 70 and name HB3
	 ) 4.5 0.9 0.9 volume=1943595.312 peak=503 ppm1=9.124 ppm2=3.226

assign ( resid 26 and name H
	 )
       ( resid 23 and name HB2
	 ) 4.3 0.9 0.9 volume=2599454.219 peak=504 ppm1=9.014 ppm2=2.148

assign ( resid 26 and name H
	 )
       ( resid 25 and name HG
	 ) 4.0 0.8 0.8 volume=4384038.812 peak=505 ppm1=9.016 ppm2=1.783

assign ( resid 61 and name H
	 )
       ( resid 59 and name HD2#
	 or resid 62 and name HD1#
	 ) 4.6 0.9 0.9 volume=1858637.967 peak=506 ppm1=8.952 ppm2=0.978

assign ( resid 61 and name H
	 )
       ( resid 60 and name HG2#
	 ) 4.0 0.8 0.8 volume=4008476.922 peak=507 ppm1=8.947 ppm2=1.344

assign ( resid 61 and name H
	 )
       ( resid 59 and name HA
	 ) 4.3 0.9 0.9 volume=2523383.793 peak=508 ppm1=8.941 ppm2=4.357

assign ( resid 34 and name H
	 )
       ( resid 33 and name HB
	 ) 3.0 0.6 0.6 volume=23680767.250 peak=509 ppm1=8.381 ppm2=4.252

assign ( resid 34 and name H
	 )
       ( resid 33 and name HG1
	 ) 3.8 0.8 0.8 volume=5637369.156 peak=510 ppm1=8.384 ppm2=4.554

assign ( resid 89 and name H
	 )
       ( resid 89 and name HA
	 ) 3.1 0.6 0.6 volume=20960135.500 peak=511 ppm1=8.373 ppm2=4.088

assign ( resid 34 and name H
	 )
       ( resid 31 and name HA
	 ) 3.3 0.7 0.7 volume=13724990.844 peak=512 ppm1=8.381 ppm2=4.012

assign ( resid 34 and name H
	 )
       ( resid 34 and name HA
	 ) 3.1 0.6 0.6 volume=17655331.938 peak=513 ppm1=8.381 ppm2=3.633

assign ( resid 89 and name H
	 )
       ( resid 88 and name HB2
	 ) 3.1 0.6 0.6 volume=17468532.719 peak=514 ppm1=8.372 ppm2=2.832

assign ( resid 89 and name H
	 )
       ( resid 89 and name HB#
	 ) 2.8 0.6 0.6 volume=37186455.188 peak=515 ppm1=8.372 ppm2=1.647

assign ( resid 34 and name H
	 )
       ( resid 34 and name HB#
	 ) 2.7 0.5 0.5 volume=40662006.562 peak=516 ppm1=8.382 ppm2=1.324

assign ( resid 34 and name H
	 )
       ( resid 33 and name HG2#
	 ) 3.7 0.7 0.7 volume=6896287.172 peak=517 ppm1=8.383 ppm2=1.169

assign ( resid 89 and name H
	 )
       ( resid 86 and name HG2#
	 ) 3.6 0.7 0.7 volume=7562365.219 peak=518 ppm1=8.375 ppm2=0.957

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB
	 ) 3.1 0.6 0.6 volume=18285168.000 peak=519 ppm1=8.310 ppm2=4.228

assign ( resid 8 and name H
	 )
       ( resid 7 and name HA
	 ) 3.2 0.6 0.6 volume=16351472.125 peak=520 ppm1=8.310 ppm2=4.061

assign ( resid 8 and name H
	 )
       ( resid 9 and name H
	 ) 3.4 0.7 0.7 volume=11305487.266 peak=521 ppm1=8.310 ppm2=8.151

assign ( resid 8 and name H
	 )
       ( resid 8 and name HB2
	 ) 2.9 0.6 0.6 volume=28373591.750 peak=522 ppm1=8.310 ppm2=2.700

assign ( resid 8 and name H
	 )
       ( resid 11 and name HB#
	 ) 3.8 0.8 0.8 volume=5417863.375 peak=523 ppm1=8.306 ppm2=1.472

assign ( resid 8 and name H
	 )
       ( resid 7 and name HG2#
	 ) 3.6 0.7 0.7 volume=8222285.953 peak=524 ppm1=8.310 ppm2=1.197

assign ( resid 68 and name H
	 )
       ( resid 68 and name HB2
	 ) 3.3 0.7 0.7 volume=13993300.062 peak=525 ppm1=8.291 ppm2=1.904

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB#
	 ) 2.6 0.5 0.5 volume=54945328.875 peak=526 ppm1=8.247 ppm2=1.308

assign ( resid 32 and name H
	 )
       ( resid 31 and name HB#
	 ) 2.6 0.5 0.5 volume=57490928.250 peak=527 ppm1=8.272 ppm2=1.478

assign ( resid 68 and name H
	 )
       ( resid 68 and name HB3
	 ) 3.3 0.7 0.7 volume=13436900.438 peak=528 ppm1=8.290 ppm2=1.015

assign ( resid 68 and name H
	 )
       ( resid 68 and name HG
	 ) 2.9 0.6 0.6 volume=28648588.750 peak=529 ppm1=8.290 ppm2=0.722

assign ( resid 32 and name H
	 )
       ( resid 32 and name HB#
	 ) 2.6 0.5 0.5 volume=56658343.750 peak=530 ppm1=8.270 ppm2=1.368

assign ( resid 68 and name H
	 )
       ( resid 65 and name HA
	 ) 3.8 0.8 0.8 volume=5356806.594 peak=531 ppm1=8.287 ppm2=3.622

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 2.9 0.6 0.6 volume=28183942.812 peak=532 ppm1=8.244 ppm2=4.190

assign ( resid 68 and name H
	 )
       ( resid 68 and name HA
	 ) 2.8 0.6 0.6 volume=37964779.312 peak=533 ppm1=8.281 ppm2=4.105

assign ( resid 68 and name H
	 )
       ( resid 67 and name HB
	 ) 3.0 0.6 0.6 volume=21692846.156 peak=534 ppm1=8.292 ppm2=4.235

assign ( resid 5 and name H
	 )
       ( resid 4 and name HB2
	 ) 4.1 0.8 0.8 volume=3349782.531 peak=535 ppm1=8.456 ppm2=3.861

assign ( resid 30 and name H
	 )
       ( resid 27 and name HG2#
	 ) 4.2 0.8 0.8 volume=3124365.594 peak=536 ppm1=8.640 ppm2=1.279

assign ( resid 46 and name H
	 )
       ( resid 45 and name HB
	 ) 4.3 0.9 0.9 volume=2629142.371 peak=537 ppm1=8.213 ppm2=2.163

assign ( resid 46 and name H
	 )
       ( resid 49 and name HG2#
	 ) 4.2 0.8 0.8 volume=2996424.938 peak=538 ppm1=8.225 ppm2=1.301

assign ( resid 46 and name H
	 )
       ( resid 46 and name HA
	 ) 3.3 0.7 0.7 volume=13977128.359 peak=539 ppm1=8.222 ppm2=4.816

assign ( resid 102 and name H
	 )
       ( resid 102 and name HB3
	 ) 4.2 0.8 0.8 volume=3175406.126 peak=540 ppm1=7.996 ppm2=3.115

assign ( resid 76 and name H
	 )
       ( resid 74 and name HA
	 ) 4.3 0.9 0.9 volume=2580847.895 peak=541 ppm1=7.867 ppm2=4.268

assign ( resid 76 and name H
	 )
       ( resid 75 and name HB2
	 ) 4.5 0.9 0.9 volume=2139297.895 peak=542 ppm1=7.870 ppm2=2.626

assign ( resid 25 and name H
	 )
       ( resid 26 and name H
	 ) 3.2 0.6 0.6 volume=16437489.000 peak=543 ppm1=7.885 ppm2=9.030

assign ( resid 70 and name H
	 )
       ( resid 69 and name H
	 ) 3.2 0.6 0.6 volume=14853399.219 peak=544 ppm1=7.877 ppm2=9.121

assign ( resid 25 and name H
	 )
       ( resid 24 and name HA
	 ) 4.1 0.8 0.8 volume=3328573.156 peak=545 ppm1=7.888 ppm2=3.877

assign ( resid 70 and name H
	 )
       ( resid 70 and name HA
	 ) 2.7 0.5 0.5 volume=43187972.125 peak=546 ppm1=7.877 ppm2=4.274

assign ( resid 25 and name H
	 )
       ( resid 25 and name HA
	 ) 2.9 0.6 0.6 volume=25974643.125 peak=547 ppm1=7.881 ppm2=4.095

assign ( resid 25 and name H
	 )
       ( resid 25 and name HB2
	 ) 3.1 0.6 0.6 volume=18983358.781 peak=548 ppm1=7.886 ppm2=1.923

assign ( resid 100 and name H
	 )
       ( resid 96 and name HG2#
	 ) 4.4 0.9 0.9 volume=2423250.102 peak=549 ppm1=7.695 ppm2=1.122

assign ( resid 100 and name H
	 )
       ( resid 100 and name HB3
	 ) 2.9 0.6 0.6 volume=28512100.562 peak=550 ppm1=7.694 ppm2=2.020

assign ( resid 100 and name H
	 )
       ( resid 100 and name HG3
	 ) 3.3 0.7 0.7 volume=13345197.844 peak=551 ppm1=7.694 ppm2=2.317

assign ( resid 100 and name H
	 )
       ( resid 99 and name HB
	 ) 3.6 0.7 0.7 volume=7687749.438 peak=552 ppm1=7.694 ppm2=4.187

assign ( resid 100 and name H
	 )
       ( resid 99 and name HA
	 ) 2.8 0.6 0.6 volume=37046792.000 peak=553 ppm1=7.694 ppm2=4.375

assign ( resid 100 and name H
	 )
       ( resid 98 and name H
	 ) 4.3 0.9 0.9 volume=2532004.742 peak=554 ppm1=7.709 ppm2=8.057

assign ( resid 28 and name H
	 )
       ( resid 26 and name HB#
	 ) 3.8 0.8 0.8 volume=5523112.648 peak=555 ppm1=7.478 ppm2=1.527

assign ( resid 56 and name H
	 )
       ( resid 51 and name HD#
	 ) 4.2 0.8 0.8 volume=2978936.852 peak=556 ppm1=7.550 ppm2=7.091

assign ( resid 14 and name H
	 )
       ( resid 12 and name H
	 ) 4.6 0.9 0.9 volume=1901084.423 peak=557 ppm1=7.525 ppm2=7.930

assign ( resid 49 and name H
	 )
       ( resid 48 and name HA
	 ) 3.3 0.7 0.7 volume=14192509.344 peak=558 ppm1=7.479 ppm2=4.386

assign ( resid 49 and name H
	 )
       ( resid 49 and name HB
	 ) 2.5 0.5 0.5 volume=68960595.750 peak=559 ppm1=7.479 ppm2=3.923

assign ( resid 49 and name H
	 )
       ( resid 49 and name HG2#
	 ) 2.9 0.6 0.6 volume=26551594.875 peak=560 ppm1=7.480 ppm2=1.274

assign ( resid 49 and name H
	 )
       ( resid 54 and name HD2#
	 ) 4.1 0.8 0.8 volume=3832292.371 peak=561 ppm1=7.485 ppm2=0.712

assign ( resid 82 and name H
	 )
       ( resid 82 and name HA
	 ) 3.3 0.7 0.7 volume=13374049.156 peak=562 ppm1=7.480 ppm2=4.342

assign ( resid 63 and name H
	 )
       ( resid 63 and name HA
	 ) 2.8 0.6 0.6 volume=34293941.125 peak=563 ppm1=7.481 ppm2=4.046

assign ( resid 82 and name H
	 )
       ( resid 81 and name HA
	 ) 4.3 0.9 0.9 volume=2604352.403 peak=564 ppm1=7.485 ppm2=3.816

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB3
	 ) 3.3 0.7 0.7 volume=13825792.625 peak=565 ppm1=7.480 ppm2=3.140

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB2
	 ) 3.2 0.6 0.6 volume=15934162.219 peak=566 ppm1=7.479 ppm2=2.908

assign ( resid 63 and name H
	 )
       ( resid 63 and name HG3
	 ) 3.4 0.7 0.7 volume=10644349.594 peak=567 ppm1=7.482 ppm2=2.308

assign ( resid 63 and name H
	 )
       ( resid 63 and name HB2
	 ) 2.8 0.6 0.6 volume=34584259.250 peak=568 ppm1=7.482 ppm2=2.032

assign ( resid 63 and name H
	 )
       ( resid 62 and name HB3
	 ) 3.0 0.6 0.6 volume=22950080.344 peak=569 ppm1=7.481 ppm2=1.808

assign ( resid 63 and name H
	 )
       ( resid 36 and name HG1#
	 ) 3.5 0.7 0.7 volume=8471392.734 peak=570 ppm1=7.480 ppm2=0.947

assign ( resid 74 and name H
	 )
       ( resid 75 and name H
	 ) 4.2 0.8 0.8 volume=2733082.246 peak=571 ppm1=7.653 ppm2=8.493

assign ( resid 54 and name H
	 )
       ( resid 53 and name HA
	 ) 4.0 0.8 0.8 volume=4039177.865 peak=573 ppm1=7.763 ppm2=4.574

assign ( resid 20 and name H
	 )
       ( resid 17 and name HA
	 ) 4.3 0.9 0.9 volume=2822320.828 peak=574 ppm1=7.820 ppm2=4.640

assign ( resid 65 and name H
	 )
       ( resid 65 and name HA
	 ) 3.3 0.7 0.7 volume=13753357.594 peak=575 ppm1=7.751 ppm2=3.640

assign ( resid 93 and name H
	 )
       ( resid 93 and name HB3
	 ) 2.9 0.6 0.6 volume=26374586.500 peak=576 ppm1=7.799 ppm2=2.806

assign ( resid 20 and name H
	 )
       ( resid 20 and name HG3
	 ) 2.7 0.5 0.5 volume=47087561.625 peak=577 ppm1=7.817 ppm2=2.404

assign ( resid 93 and name H
	 )
       ( resid 92 and name HB3
	 ) 2.7 0.5 0.5 volume=39684460.375 peak=578 ppm1=7.800 ppm2=2.052

assign ( resid 54 and name H
	 )
       ( resid 54 and name HB3
	 ) 2.7 0.5 0.5 volume=39301840.625 peak=579 ppm1=7.761 ppm2=2.056

assign ( resid 65 and name H
	 )
       ( resid 64 and name HB3
	 ) 3.4 0.7 0.7 volume=10371836.562 peak=580 ppm1=7.742 ppm2=1.812

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB#
	 ) 2.3 0.5 0.5 volume=109240336.500 peak=581 ppm1=7.788 ppm2=1.470

assign ( resid 98 and name H
	 )
       ( resid 97 and name H
	 ) 3.0 0.6 0.6 volume=22033011.938 peak=582 ppm1=8.052 ppm2=7.759

assign ( resid 93 and name H
	 )
       ( resid 93 and name HD2
	 ) 4.0 0.8 0.8 volume=4025543.859 peak=584 ppm1=7.809 ppm2=5.989

assign ( resid 92 and name H
	 )
       ( resid 91 and name HB
	 ) 3.1 0.6 0.6 volume=20683240.781 peak=585 ppm1=7.836 ppm2=4.336

assign ( resid 54 and name H
	 )
       ( resid 54 and name HA
	 ) 2.9 0.6 0.6 volume=25764243.125 peak=586 ppm1=7.770 ppm2=4.302

assign ( resid 92 and name H
	 )
       ( resid 92 and name HA
	 ) 2.9 0.6 0.6 volume=26291805.062 peak=587 ppm1=7.823 ppm2=3.914

assign ( resid 36 and name H
	 )
       ( resid 36 and name HA
	 ) 2.7 0.5 0.5 volume=39356668.812 peak=588 ppm1=7.778 ppm2=3.903

assign ( resid 97 and name H
	 )
       ( resid 96 and name HA
	 ) 3.3 0.7 0.7 volume=11998844.000 peak=589 ppm1=7.775 ppm2=3.606

assign ( resid 92 and name H
	 )
       ( resid 91 and name HA
	 ) 3.9 0.8 0.8 volume=5171423.516 peak=590 ppm1=7.833 ppm2=3.459

assign ( resid 92 and name H
	 )
       ( resid 92 and name HG3
	 ) 2.7 0.5 0.5 volume=48609252.625 peak=591 ppm1=7.832 ppm2=2.084

assign ( resid 97 and name H
	 )
       ( resid 96 and name HG2#
	 ) 2.8 0.6 0.6 volume=36387928.625 peak=592 ppm1=7.776 ppm2=1.147

assign ( resid 36 and name H
	 )
       ( resid 36 and name HG1#
	 ) 2.8 0.6 0.6 volume=38964189.312 peak=593 ppm1=7.780 ppm2=0.946

assign ( resid 54 and name H
	 )
       ( resid 54 and name HD2#
	 ) 3.0 0.6 0.6 volume=24584857.000 peak=594 ppm1=7.774 ppm2=0.717

assign ( resid 83 and name H
	 )
       ( resid 82 and name HA
	 ) 3.8 0.8 0.8 volume=5359032.969 peak=595 ppm1=7.966 ppm2=4.340

assign ( resid 83 and name H
	 )
       ( resid 83 and name HA
	 ) 3.1 0.6 0.6 volume=17819826.188 peak=596 ppm1=7.965 ppm2=3.974

assign ( resid 83 and name H
	 )
       ( resid 82 and name HB3
	 ) 3.7 0.7 0.7 volume=7119494.094 peak=597 ppm1=7.965 ppm2=3.144

assign ( resid 83 and name H
	 )
       ( resid 82 and name HB2
	 ) 3.5 0.7 0.7 volume=8483150.562 peak=598 ppm1=7.964 ppm2=2.912

assign ( resid 83 and name H
	 )
       ( resid 83 and name HB2
	 ) 3.2 0.6 0.6 volume=15104697.938 peak=599 ppm1=7.965 ppm2=2.281

assign ( resid 83 and name H
	 )
       ( resid 83 and name HB3
	 ) 3.3 0.7 0.7 volume=12756643.453 peak=600 ppm1=7.964 ppm2=1.844

assign ( resid 13 and name H
	 )
       ( resid 12 and name H
	 ) 3.1 0.6 0.6 volume=18535122.406 peak=601 ppm1=8.141 ppm2=7.928

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.7 0.5 0.5 volume=41165745.500 peak=602 ppm1=7.940 ppm2=4.078

assign ( resid 12 and name H
	 )
       ( resid 12 and name HD3
	 ) 4.3 0.9 0.9 volume=2815545.336 peak=603 ppm1=7.934 ppm2=3.139

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB3
	 ) 2.7 0.5 0.5 volume=44115255.625 peak=604 ppm1=7.940 ppm2=1.946

assign ( resid 12 and name H
	 )
       ( resid 11 and name HB#
	 ) 2.9 0.6 0.6 volume=30953997.250 peak=605 ppm1=7.938 ppm2=1.479

assign ( resid 12 and name H
	 )
       ( resid 9 and name HD1#
	 ) 3.6 0.7 0.7 volume=7660279.797 peak=606 ppm1=7.946 ppm2=0.795

assign ( resid 23 and name H
	 )
       ( resid 23 and name HA
	 ) 2.8 0.6 0.6 volume=37901444.375 peak=608 ppm1=7.979 ppm2=4.052

assign ( resid 22 and name H
	 )
       ( resid 22 and name HA
	 ) 3.4 0.7 0.7 volume=11595355.984 peak=609 ppm1=8.000 ppm2=3.402

assign ( resid 23 and name H
	 )
       ( resid 23 and name HG3
	 ) 3.2 0.6 0.6 volume=14823562.719 peak=610 ppm1=7.981 ppm2=2.422

assign ( resid 23 and name H
	 )
       ( resid 23 and name HB3
	 ) 2.5 0.5 0.5 volume=62575119.875 peak=611 ppm1=7.985 ppm2=2.084

assign ( resid 23 and name H
	 )
       ( resid 13 and name HD2#
	 ) 4.0 0.8 0.8 volume=4420914.367 peak=612 ppm1=7.980 ppm2=0.784

assign ( resid 22 and name H
	 )
       ( resid 13 and name HD2#
	 ) 3.9 0.8 0.8 volume=4921809.336 peak=613 ppm1=8.001 ppm2=0.772

assign ( resid 22 and name H
	 )
       ( resid 21 and name HB2
	 ) 3.6 0.7 0.7 volume=7228556.992 peak=614 ppm1=7.999 ppm2=1.646

assign ( resid 22 and name H
	 )
       ( resid 21 and name HB3
	 ) 3.5 0.7 0.7 volume=8675568.914 peak=615 ppm1=7.999 ppm2=2.666

assign ( resid 22 and name H
	 )
       ( resid 19 and name HA
	 ) 3.3 0.7 0.7 volume=12217393.510 peak=616 ppm1=7.987 ppm2=4.022

assign ( resid 98 and name H
	 )
       ( resid 97 and name HA
	 ) 3.8 0.8 0.8 volume=5774478.328 peak=617 ppm1=8.058 ppm2=3.891

assign ( resid 98 and name H
	 )
       ( resid 95 and name HA
	 ) 3.9 0.8 0.8 volume=5193733.727 peak=618 ppm1=8.054 ppm2=3.775

assign ( resid 98 and name H
	 )
       ( resid 98 and name HB3
	 ) 2.7 0.5 0.5 volume=44224146.000 peak=619 ppm1=8.053 ppm2=1.659

assign ( resid 98 and name H
	 )
       ( resid 96 and name HG2#
	 ) 3.9 0.8 0.8 volume=4924755.078 peak=620 ppm1=8.050 ppm2=1.140

assign ( resid 98 and name H
	 )
       ( resid 98 and name HD1#
	 ) 3.3 0.7 0.7 volume=12930811.594 peak=621 ppm1=8.052 ppm2=0.876

assign ( resid 98 and name H
	 )
       ( resid 98 and name HD2#
	 ) 3.1 0.6 0.6 volume=19569064.000 peak=622 ppm1=8.052 ppm2=0.720

assign ( resid 24 and name H
	 )
       ( resid 24 and name HG2#
	 ) 3.4 0.7 0.7 volume=10537949.938 peak=623 ppm1=8.143 ppm2=1.036

assign ( resid 24 and name H
	 )
       ( resid 13 and name HD2#
	 or resid 16 and name HD2#
	 ) 3.4 0.7 0.7 volume=10489885.719 peak=624 ppm1=8.148 ppm2=0.763

assign ( resid 24 and name H
	 )
       ( resid 23 and name HG2
	 ) 4.1 0.8 0.8 volume=3357057.953 peak=625 ppm1=8.142 ppm2=2.410

assign ( resid 24 and name H
	 )
       ( resid 23 and name HB3
	 ) 3.1 0.6 0.6 volume=20567136.000 peak=626 ppm1=8.143 ppm2=2.099

assign ( resid 24 and name H
	 )
       ( resid 24 and name HB
	 ) 2.9 0.6 0.6 volume=26701474.062 peak=627 ppm1=8.144 ppm2=4.194

assign ( resid 24 and name H
	 )
       ( resid 24 and name HA
	 ) 3.2 0.6 0.6 volume=14711318.688 peak=628 ppm1=8.144 ppm2=3.901

assign ( resid 24 and name H
	 )
       ( resid 21 and name HA
	 ) 4.0 0.8 0.8 volume=3929747.312 peak=629 ppm1=8.141 ppm2=3.722

assign ( resid 28 and name H
	 )
       ( resid 27 and name H
	 ) 3.1 0.6 0.6 volume=20392086.750 peak=630 ppm1=7.481 ppm2=8.174

assign ( resid 27 and name H
	 )
       ( resid 27 and name HB
	 ) 2.7 0.5 0.5 volume=39937959.375 peak=631 ppm1=8.182 ppm2=4.249

assign ( resid 27 and name H
	 )
       ( resid 27 and name HA
	 ) 2.9 0.6 0.6 volume=26140158.938 peak=632 ppm1=8.182 ppm2=3.941

assign ( resid 27 and name H
	 )
       ( resid 28 and name HB3
	 ) 4.2 0.8 0.8 volume=3152385.199 peak=633 ppm1=8.187 ppm2=1.725

assign ( resid 27 and name H
	 )
       ( resid 26 and name HB#
	 ) 2.9 0.6 0.6 volume=28718196.750 peak=634 ppm1=8.182 ppm2=1.511

assign ( resid 27 and name H
	 )
       ( resid 27 and name HG2#
	 ) 3.3 0.7 0.7 volume=14150238.812 peak=635 ppm1=8.183 ppm2=1.258

assign ( resid 27 and name H
	 )
       ( resid 24 and name HG2#
	 ) 3.8 0.8 0.8 volume=5843527.508 peak=636 ppm1=8.184 ppm2=1.028

assign ( resid 96 and name H
	 )
       ( resid 96 and name HG2#
	 ) 3.1 0.6 0.6 volume=17628069.094 peak=637 ppm1=8.237 ppm2=1.145

assign ( resid 96 and name H
	 )
       ( resid 25 and name HD1#
	 or resid 94 and name HD2#
	 or resid 98 and name HD2#
	 ) 3.7 0.7 0.7 volume=6846907.750 peak=638 ppm1=8.237 ppm2=0.762

assign ( resid 96 and name H
	 )
       ( resid 92 and name HB2
	 ) 4.4 0.9 0.9 volume=2358157.980 peak=639 ppm1=8.233 ppm2=1.983

assign ( resid 96 and name H
	 )
       ( resid 95 and name HB2
	 ) 3.4 0.7 0.7 volume=11420089.781 peak=640 ppm1=8.235 ppm2=2.912

assign ( resid 96 and name H
	 )
       ( resid 95 and name HB3
	 ) 3.2 0.6 0.6 volume=15762129.188 peak=641 ppm1=8.237 ppm2=3.248

assign ( resid 96 and name H
	 )
       ( resid 96 and name HA
	 ) 3.2 0.6 0.6 volume=16514519.000 peak=642 ppm1=8.237 ppm2=3.618

assign ( resid 96 and name H
	 )
       ( resid 96 and name HB
	 ) 2.8 0.6 0.6 volume=33307775.438 peak=643 ppm1=8.237 ppm2=4.176

assign ( resid 96 and name H
	 )
       ( resid 92 and name HA
	 ) 3.6 0.7 0.7 volume=7404678.125 peak=644 ppm1=8.238 ppm2=3.918

assign ( resid 96 and name H
	 )
       ( resid 97 and name H
	 ) 3.3 0.7 0.7 volume=14263695.844 peak=645 ppm1=8.239 ppm2=7.765

assign ( resid 101 and name H
	 )
       ( resid 101 and name HA
	 ) 3.5 0.7 0.7 volume=9158443.047 peak=646 ppm1=8.306 ppm2=4.359

assign ( resid 101 and name H
	 )
       ( resid 101 and name HB2
	 ) 4.1 0.8 0.8 volume=3569141.465 peak=647 ppm1=8.304 ppm2=3.794

assign ( resid 33 and name H
	 )
       ( resid 64 and name HD2#
	 ) 3.2 0.6 0.6 volume=14584277.781 peak=648 ppm1=8.157 ppm2=0.722

assign ( resid 33 and name H
	 )
       ( resid 32 and name HB#
	 ) 3.1 0.6 0.6 volume=18997721.125 peak=649 ppm1=8.156 ppm2=1.361

assign ( resid 33 and name H
	 )
       ( resid 33 and name HG2#
	 ) 3.5 0.7 0.7 volume=8890794.828 peak=650 ppm1=8.156 ppm2=1.194

assign ( resid 33 and name H
	 )
       ( resid 29 and name HG2#
	 ) 4.2 0.8 0.8 volume=3312085.016 peak=651 ppm1=8.146 ppm2=1.039

assign ( resid 33 and name H
	 )
       ( resid 33 and name HA
	 ) 3.4 0.7 0.7 volume=11434899.438 peak=652 ppm1=8.157 ppm2=3.614

assign ( resid 33 and name H
	 )
       ( resid 33 and name HB
	 ) 3.1 0.6 0.6 volume=19838733.031 peak=653 ppm1=8.156 ppm2=4.253

assign ( resid 33 and name H
	 )
       ( resid 33 and name HG1
	 ) 2.9 0.6 0.6 volume=28767318.438 peak=654 ppm1=8.158 ppm2=4.556

assign ( resid 33 and name H
	 )
       ( resid 30 and name HA
	 ) 3.7 0.7 0.7 volume=6996248.219 peak=655 ppm1=8.153 ppm2=3.966

assign ( resid 33 and name H
	 )
       ( resid 34 and name H
	 ) 3.3 0.7 0.7 volume=13926452.719 peak=656 ppm1=8.161 ppm2=8.364

assign ( resid 57 and name H
	 )
       ( resid 57 and name HB3
	 ) 4.3 0.9 0.9 volume=2640611.682 peak=657 ppm1=7.978 ppm2=3.191

assign ( resid 86 and name H
	 )
       ( resid 84 and name HA
	 ) 4.0 0.8 0.8 volume=3869283.055 peak=658 ppm1=7.374 ppm2=4.911

assign ( resid 27 and name H
	 )
       ( resid 25 and name HB2
	 ) 3.9 0.8 0.8 volume=4858049.320 peak=659 ppm1=8.184 ppm2=1.947

assign ( resid 43 and name H
	 )
       ( resid 42 and name HD2
	 ) 4.3 0.9 0.9 volume=2559519.477 peak=660 ppm1=9.013 ppm2=3.876

assign ( resid 22 and name H
	 )
       ( resid 22 and name HB3
	 ) 2.6 0.5 0.5 volume=53959654.875 peak=661 ppm1=7.996 ppm2=2.013

assign ( resid 23 and name H
	 )
       ( resid 26 and name HB#
	 ) 3.8 0.8 0.8 volume=5441375.867 peak=662 ppm1=7.994 ppm2=1.496

assign ( resid 16 and name H
	 )
       ( resid 17 and name H
	 ) 4.3 0.9 0.9 volume=1994258.172 peak=663 ppm1=7.353 ppm2=8.847

assign ( resid 67 and name H
	 )
       ( resid 68 and name HB3
	 ) 4.3 0.9 0.9 volume=2517522.781 peak=664 ppm1=8.523 ppm2=0.981

assign ( resid 67 and name H
	 )
       ( resid 65 and name H
	 ) 3.6 0.7 0.7 volume=7914817.578 peak=665 ppm1=8.517 ppm2=7.780

# Restraints file 2: mH0ACPb_cnoesy.tbl
assign ( resid 56 and name HG12
	 )
       ( resid 56 and name HA
	 ) 3.9 0.8 0.8 volume=77383997.000 peak=1 ppm1=1.349 ppm2=3.977

assign ( resid 64 and name HG
	 )
       ( resid 64 and name H
	 ) 4.1 0.8 0.8 volume=58378556.938 peak=2 ppm1=1.218 ppm2=8.582

assign ( resid 64 and name HG
	 )
       ( resid 61 and name HA
	 ) 4.0 0.8 0.8 volume=71685898.406 peak=4 ppm1=1.226 ppm2=3.613

assign ( resid 9 and name HD1#
	 )
       ( resid 9 and name HA
	 ) 2.5 0.5 0.5 volume=1121495672.000 peak=5 ppm1=0.825 ppm2=4.057

assign ( resid 9 and name HD1#
	 )
       ( resid 12 and name H
	 ) 3.7 0.7 0.7 volume=99293585.812 peak=6 ppm1=0.823 ppm2=7.916

assign ( resid 9 and name HD1#
	 )
       ( resid 10 and name H
	 ) 3.1 0.6 0.6 volume=336886492.000 peak=7 ppm1=0.825 ppm2=8.138

assign ( resid 9 and name HD1#
	 )
       ( resid 71 and name HA
	 ) 4.1 0.8 0.8 volume=58237377.625 peak=8 ppm1=0.823 ppm2=4.471

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HD1#
	 ) 3.4 0.7 0.7 volume=97687309.938 peak=9 ppm1=4.197 ppm2=0.839

assign ( resid 9 and name HG
	 )
       ( resid 9 and name HD1#
	 ) 2.4 0.5 0.5 volume=1051281984.000 peak=14 ppm1=1.486 ppm2=0.838

assign ( resid 95 and name HD2
	 )
       ( resid 25 and name HD1#
	 ) 3.0 0.6 0.6 volume=363611868.500 peak=15 ppm1=6.545 ppm2=0.783

assign ( resid 95 and name HD2
	 )
       ( resid 22 and name HB3
	 ) 4.3 0.9 0.9 volume=40303151.719 peak=16 ppm1=6.543 ppm2=2.036

assign ( resid 95 and name HD2
	 )
       ( resid 22 and name HB2
	 ) 4.2 0.8 0.8 volume=49965274.000 peak=17 ppm1=6.547 ppm2=1.930

assign ( resid 95 and name HD2
	 )
       ( resid 22 and name HG2
	 ) 4.3 0.9 0.9 volume=44690775.875 peak=18 ppm1=6.542 ppm2=1.773

assign ( resid 95 and name HD2
	 )
       ( resid 95 and name HA
	 ) 3.3 0.7 0.7 volume=216035427.250 peak=20 ppm1=6.545 ppm2=3.757

assign ( resid 95 and name HD2
	 )
       ( resid 22 and name HA
	 ) 4.3 0.9 0.9 volume=41371252.750 peak=21 ppm1=6.544 ppm2=3.407

assign ( resid 95 and name HD2
	 )
       ( resid 95 and name HB3
	 ) 4.2 0.8 0.8 volume=50005019.625 peak=22 ppm1=6.547 ppm2=3.247

assign ( resid 95 and name HD2
	 )
       ( resid 95 and name HB2
	 ) 3.9 0.8 0.8 volume=76759361.500 peak=23 ppm1=6.546 ppm2=2.911

assign ( resid 21 and name HB3
	 )
       ( resid 95 and name HD2
	 ) 4.0 0.8 0.8 volume=71512449.875 peak=24 ppm1=2.662 ppm2=6.541

assign ( resid 102 and name HB3
	 )
       ( resid 102 and name HD2
	 ) 4.2 0.8 0.8 volume=31836820.408 peak=26 ppm1=3.121 ppm2=7.000

assign ( resid 102 and name HB2
	 )
       ( resid 102 and name HD2
	 ) 4.0 0.8 0.8 volume=48116520.375 peak=27 ppm1=2.987 ppm2=6.993

assign ( resid 70 and name HD2
	 )
       ( resid 70 and name HB2
	 ) 3.7 0.7 0.7 volume=110250032.500 peak=28 ppm1=6.966 ppm2=3.268

assign ( resid 40 and name HD2
	 )
       ( resid 40 and name HB2
	 ) 4.1 0.8 0.8 volume=60129835.125 peak=29 ppm1=6.891 ppm2=3.176

assign ( resid 40 and name HD2
	 )
       ( resid 40 and name HB3
	 ) 3.8 0.8 0.8 volume=85489549.250 peak=30 ppm1=6.891 ppm2=3.013

assign ( resid 39 and name HD2
	 )
       ( resid 39 and name HB2
	 ) 3.8 0.8 0.8 volume=84123943.750 peak=31 ppm1=6.808 ppm2=3.034

assign ( resid 88 and name HD2
	 )
       ( resid 88 and name HB2
	 ) 3.7 0.7 0.7 volume=99009668.875 peak=32 ppm1=6.849 ppm2=2.826

assign ( resid 70 and name HD2
	 )
       ( resid 67 and name HG2#
	 ) 4.3 0.9 0.9 volume=41183090.250 peak=33 ppm1=6.966 ppm2=1.247

assign ( resid 40 and name HD2
	 )
       ( resid 31 and name HB#
	 ) 4.5 0.9 0.9 volume=31612543.438 peak=34 ppm1=6.894 ppm2=1.494

assign ( resid 40 and name HD2
	 )
       ( resid 34 and name HB#
	 ) 4.3 0.9 0.9 volume=44125844.250 peak=35 ppm1=6.891 ppm2=1.303

assign ( resid 40 and name HD2
	 )
       ( resid 35 and name HG2#
	 ) 4.4 0.9 0.9 volume=35435859.688 peak=36 ppm1=6.890 ppm2=1.174

assign ( resid 88 and name HD2
	 )
       ( resid 89 and name HB#
	 ) 4.0 0.8 0.8 volume=44958684.750 peak=37 ppm1=6.851 ppm2=1.644

assign ( resid 39 and name HD2
	 )
       ( resid 37 and name HB3
	 ) 4.0 0.8 0.8 volume=70331062.500 peak=38 ppm1=6.807 ppm2=1.290

assign ( resid 84 and name HD2
	 )
       ( resid 89 and name HB#
	 ) 4.5 0.9 0.9 volume=31847091.875 peak=41 ppm1=6.711 ppm2=1.640

assign ( resid 84 and name HB2
	 )
       ( resid 84 and name HD2
	 ) 3.8 0.8 0.8 volume=84165583.250 peak=42 ppm1=2.304 ppm2=6.712

assign ( resid 90 and name HB3
	 )
       ( resid 51 and name HZ
	 ) 4.0 0.8 0.8 volume=62496195.625 peak=46 ppm1=2.159 ppm2=6.831

assign ( resid 82 and name HZ
	 )
       ( resid 61 and name HB#
	 ) 3.9 0.8 0.8 volume=75369692.375 peak=51 ppm1=7.081 ppm2=1.177

assign ( resid 82 and name HZ
	 )
       ( resid 58 and name HA
	 ) 4.2 0.8 0.8 volume=49961458.938 peak=52 ppm1=7.077 ppm2=4.102

assign ( resid 82 and name HZ
	 )
       ( resid 82 and name HE#
	 ) 2.8 0.6 0.6 volume=592984803.000 peak=53 ppm1=7.080 ppm2=7.215

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HE#
	 ) 2.1 0.4 0.4 volume=2759466468.000 peak=54 ppm1=7.108 ppm2=7.224

assign ( resid 82 and name HE#
	 )
       ( resid 82 and name HA
	 ) 4.1 0.8 0.8 volume=61033427.906 peak=56 ppm1=7.227 ppm2=4.330

assign ( resid 79 and name HA
	 )
       ( resid 82 and name HD#
	 ) 3.4 0.7 0.7 volume=90060365.625 peak=59 ppm1=4.192 ppm2=7.108

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HB3
	 ) 3.4 0.7 0.7 volume=114842731.250 peak=60 ppm1=7.108 ppm2=3.130

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HE#
	 ) 4.0 0.8 0.8 volume=62295640.688 peak=61 ppm1=3.136 ppm2=7.215

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HE#
	 ) 4.0 0.8 0.8 volume=68027731.438 peak=62 ppm1=2.904 ppm2=7.220

assign ( resid 82 and name HD#
	 )
       ( resid 61 and name HB#
	 ) 3.6 0.7 0.7 volume=119841263.250 peak=65 ppm1=7.101 ppm2=1.172

assign ( resid 51 and name HD#
	 )
       ( resid 33 and name HG2#
	 ) 3.3 0.7 0.7 volume=110172840.000 peak=66 ppm1=7.079 ppm2=1.187

assign ( resid 51 and name HD#
	 )
       ( resid 56 and name HD1#
	 ) 3.4 0.7 0.7 volume=188725831.500 peak=67 ppm1=7.077 ppm2=0.686

assign ( resid 64 and name HD1#
	 )
       ( resid 51 and name HD#
	 ) 3.7 0.7 0.7 volume=33331151.750 peak=68 ppm1=0.388 ppm2=7.077

assign ( resid 51 and name HD#
	 )
       ( resid 81 and name HG2#
	 ) 3.2 0.6 0.6 volume=96865900.750 peak=69 ppm1=7.078 ppm2=0.246

assign ( resid 56 and name HB
	 )
       ( resid 51 and name HD#
	 ) 3.9 0.8 0.8 volume=62630967.375 peak=70 ppm1=1.666 ppm2=7.086

assign ( resid 81 and name HB
	 )
       ( resid 51 and name HD#
	 ) 4.2 0.8 0.8 volume=39692872.688 peak=71 ppm1=1.547 ppm2=7.081

assign ( resid 51 and name HD#
	 )
       ( resid 51 and name HB3
	 ) 3.5 0.7 0.7 volume=148039255.750 peak=73 ppm1=7.078 ppm2=2.695

assign ( resid 51 and name HD#
	 )
       ( resid 85 and name HA
	 ) 3.1 0.6 0.6 volume=79044929.375 peak=76 ppm1=7.078 ppm2=5.130

assign ( resid 51 and name HD#
	 )
       ( resid 51 and name HE#
	 ) 3.3 0.7 0.7 volume=208994764.500 peak=77 ppm1=7.076 ppm2=7.564

assign ( resid 33 and name HG2#
	 )
       ( resid 51 and name HE#
	 ) 3.0 0.6 0.6 volume=160216169.000 peak=81 ppm1=1.183 ppm2=7.558

assign ( resid 51 and name HE#
	 )
       ( resid 54 and name HD2#
	 ) 3.7 0.7 0.7 volume=111656906.000 peak=83 ppm1=7.566 ppm2=0.707

assign ( resid 51 and name HE#
	 )
       ( resid 64 and name HD1#
	 ) 3.4 0.7 0.7 volume=82849955.250 peak=84 ppm1=7.566 ppm2=0.388

assign ( resid 81 and name HD1#
	 )
       ( resid 81 and name HG2#
	 ) 2.8 0.6 0.6 volume=534057380.375 peak=85 ppm1=0.133 ppm2=0.253

assign ( resid 64 and name HD1#
	 )
       ( resid 81 and name HD1#
	 ) 2.9 0.6 0.6 volume=426864146.500 peak=86 ppm1=0.389 ppm2=0.126

assign ( resid 81 and name HD1#
	 )
       ( resid 81 and name HG13
	 ) 2.6 0.5 0.5 volume=880650451.000 peak=87 ppm1=0.134 ppm2=0.654

assign ( resid 81 and name HD1#
	 )
       ( resid 64 and name HG
	 ) 2.8 0.6 0.6 volume=525783061.000 peak=88 ppm1=0.134 ppm2=1.198

assign ( resid 90 and name HD2#
	 )
       ( resid 81 and name HD1#
	 ) 2.7 0.5 0.5 volume=762429929.000 peak=90 ppm1=0.932 ppm2=0.134

assign ( resid 81 and name HD1#
	 )
       ( resid 90 and name HD1#
	 ) 2.9 0.6 0.6 volume=474923151.500 peak=91 ppm1=0.134 ppm2=0.833

assign ( resid 81 and name HD1#
	 )
       ( resid 64 and name HB3
	 ) 3.7 0.7 0.7 volume=114690428.250 peak=92 ppm1=0.134 ppm2=1.793

assign ( resid 81 and name HD1#
	 )
       ( resid 81 and name HB
	 ) 3.0 0.6 0.6 volume=386589187.500 peak=93 ppm1=0.134 ppm2=1.551

assign ( resid 81 and name HD1#
	 )
       ( resid 56 and name HG12
	 ) 3.4 0.7 0.7 volume=164106108.000 peak=94 ppm1=0.134 ppm2=1.350

assign ( resid 81 and name HD1#
	 )
       ( resid 90 and name HB3
	 ) 4.5 0.9 0.9 volume=33526853.406 peak=95 ppm1=0.139 ppm2=2.167

assign ( resid 81 and name HD1#
	 )
       ( resid 84 and name HB2
	 ) 4.5 0.9 0.9 volume=33163076.812 peak=96 ppm1=0.130 ppm2=2.286

assign ( resid 81 and name HD1#
	 )
       ( resid 51 and name HB2
	 ) 3.9 0.8 0.8 volume=75593653.500 peak=97 ppm1=0.135 ppm2=2.776

assign ( resid 81 and name HD1#
	 )
       ( resid 51 and name HB3
	 ) 4.1 0.8 0.8 volume=55999823.938 peak=98 ppm1=0.133 ppm2=2.690

assign ( resid 81 and name HD1#
	 )
       ( resid 84 and name HB3
	 ) 4.4 0.9 0.9 volume=38864052.406 peak=99 ppm1=0.138 ppm2=3.122

assign ( resid 81 and name HD1#
	 )
       ( resid 81 and name HA
	 ) 2.8 0.6 0.6 volume=585326747.000 peak=100 ppm1=0.134 ppm2=3.800

assign ( resid 81 and name HD1#
	 )
       ( resid 61 and name HA
	 ) 3.4 0.7 0.7 volume=167544507.250 peak=101 ppm1=0.134 ppm2=3.629

assign ( resid 81 and name HD1#
	 )
       ( resid 51 and name HA
	 ) 4.0 0.8 0.8 volume=69457453.438 peak=102 ppm1=0.135 ppm2=4.096

assign ( resid 81 and name HD1#
	 )
       ( resid 80 and name HA
	 ) 4.0 0.8 0.8 volume=70221186.188 peak=103 ppm1=0.132 ppm2=3.990

assign ( resid 81 and name HD1#
	 )
       ( resid 51 and name HZ
	 ) 4.2 0.8 0.8 volume=49009103.875 peak=104 ppm1=0.134 ppm2=6.825

assign ( resid 81 and name HD1#
	 )
       ( resid 51 and name HE#
	 ) 3.7 0.7 0.7 volume=110841222.125 peak=105 ppm1=0.134 ppm2=7.561

assign ( resid 81 and name HD1#
	 )
       ( resid 82 and name H
	 ) 4.1 0.8 0.8 volume=61578705.625 peak=106 ppm1=0.136 ppm2=7.495

assign ( resid 81 and name HD1#
	 )
       ( resid 84 and name H
	 ) 4.1 0.8 0.8 volume=55865074.500 peak=107 ppm1=0.133 ppm2=7.323

assign ( resid 81 and name HD1#
	 )
       ( resid 51 and name HD#
	 ) 3.6 0.7 0.7 volume=129355968.250 peak=108 ppm1=0.133 ppm2=7.082

assign ( resid 81 and name HD1#
	 )
       ( resid 81 and name H
	 ) 3.4 0.7 0.7 volume=187981992.750 peak=109 ppm1=0.135 ppm2=8.068

assign ( resid 81 and name HD1#
	 )
       ( resid 65 and name H
	 ) 4.3 0.9 0.9 volume=44150814.938 peak=110 ppm1=0.131 ppm2=7.743

assign ( resid 3 and name HA
	 )
       ( resid 4 and name H
	 ) 4.3 0.9 0.9 volume=40524829.312 peak=111 ppm1=4.291 ppm2=8.382

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HB#
	 ) 2.4 0.5 0.5 volume=1332305194.000 peak=112 ppm1=4.286 ppm2=1.362

assign ( resid 2 and name HB#
	 )
       ( resid 5 and name H
	 ) 3.9 0.8 0.8 volume=80708461.938 peak=113 ppm1=1.348 ppm2=8.431

assign ( resid 32 and name HA
	 )
       ( resid 32 and name HB#
	 ) 2.5 0.5 0.5 volume=1193865482.000 peak=117 ppm1=4.098 ppm2=1.363

assign ( resid 32 and name HB#
	 )
       ( resid 33 and name HG1
	 ) 3.5 0.7 0.7 volume=151274213.125 peak=119 ppm1=1.367 ppm2=4.551

assign ( resid 32 and name HB#
	 )
       ( resid 33 and name H
	 ) 2.9 0.6 0.6 volume=437629930.000 peak=120 ppm1=1.364 ppm2=8.150

assign ( resid 32 and name HB#
	 )
       ( resid 32 and name H
	 ) 2.6 0.5 0.5 volume=935591466.000 peak=121 ppm1=1.364 ppm2=8.264

assign ( resid 32 and name HB#
	 )
       ( resid 31 and name H
	 ) 3.6 0.7 0.7 volume=119709001.500 peak=122 ppm1=1.371 ppm2=8.541

assign ( resid 4 and name HA
	 )
       ( resid 5 and name H
	 ) 3.9 0.8 0.8 volume=80462645.188 peak=123 ppm1=4.388 ppm2=8.440

assign ( resid 102 and name HA
	 )
       ( resid 102 and name HB3
	 ) 2.8 0.6 0.6 volume=528283443.000 peak=127 ppm1=4.401 ppm2=3.123

assign ( resid 4 and name HA
	 )
       ( resid 3 and name HB#
	 ) 3.5 0.7 0.7 volume=156974144.250 peak=128 ppm1=4.392 ppm2=1.347

assign ( resid 4 and name HB3
	 )
       ( resid 6 and name H
	 ) 4.5 0.9 0.9 volume=34487677.219 peak=129 ppm1=3.963 ppm2=8.239

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HA
	 ) 2.8 0.6 0.6 volume=479137046.750 peak=130 ppm1=3.956 ppm2=4.391

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HB2
	 ) 2.7 0.5 0.5 volume=503909146.000 peak=131 ppm1=4.386 ppm2=3.821

assign ( resid 4 and name HB3
	 )
       ( resid 7 and name HB
	 ) 4.4 0.9 0.9 volume=39627689.836 peak=132 ppm1=3.958 ppm2=4.245

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HB3
	 ) 2.1 0.4 0.4 volume=3224277946.000 peak=134 ppm1=3.825 ppm2=3.955

assign ( resid 4 and name HB2
	 )
       ( resid 3 and name HB#
	 ) 3.9 0.8 0.8 volume=72453085.750 peak=135 ppm1=3.825 ppm2=1.349

assign ( resid 4 and name HB3
	 )
       ( resid 3 and name HB#
	 ) 3.9 0.8 0.8 volume=74093333.562 peak=136 ppm1=3.957 ppm2=1.342

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB#
	 ) 2.3 0.5 0.5 volume=1612170078.000 peak=137 ppm1=4.179 ppm2=1.326

assign ( resid 5 and name HA
	 )
       ( resid 8 and name HB2
	 ) 3.3 0.7 0.7 volume=224932073.750 peak=138 ppm1=4.178 ppm2=2.734

assign ( resid 5 and name HA
	 )
       ( resid 8 and name HA
	 ) 3.9 0.8 0.8 volume=78873820.625 peak=139 ppm1=4.186 ppm2=4.463

assign ( resid 5 and name HA
	 )
       ( resid 6 and name H
	 ) 3.3 0.7 0.7 volume=205495304.000 peak=140 ppm1=4.180 ppm2=8.227

assign ( resid 5 and name HA
	 )
       ( resid 5 and name H
	 ) 4.6 0.9 0.9 volume=30040101.438 peak=141 ppm1=4.175 ppm2=8.450

assign ( resid 5 and name HB#
	 )
       ( resid 3 and name HA
	 ) 3.7 0.7 0.7 volume=106706795.984 peak=142 ppm1=1.340 ppm2=4.263

assign ( resid 5 and name HB#
	 )
       ( resid 70 and name HD2
	 ) 3.9 0.8 0.8 volume=78452343.000 peak=143 ppm1=1.327 ppm2=6.978

assign ( resid 5 and name HB#
	 )
       ( resid 6 and name H
	 ) 2.9 0.6 0.6 volume=437141365.000 peak=144 ppm1=1.339 ppm2=8.243

assign ( resid 6 and name HB#
	 )
       ( resid 9 and name HD1#
	 ) 3.7 0.7 0.7 volume=108996792.625 peak=145 ppm1=1.274 ppm2=0.832

assign ( resid 6 and name HB#
	 )
       ( resid 8 and name HB3
	 ) 4.2 0.8 0.8 volume=52213410.312 peak=146 ppm1=1.273 ppm2=2.679

assign ( resid 6 and name HB#
	 )
       ( resid 73 and name HA2
	 ) 3.5 0.7 0.7 volume=155638592.125 peak=147 ppm1=1.272 ppm2=3.817

assign ( resid 6 and name HB#
	 )
       ( resid 4 and name HB3
	 ) 4.1 0.8 0.8 volume=60413429.188 peak=148 ppm1=1.273 ppm2=3.934

assign ( resid 6 and name HB#
	 )
       ( resid 6 and name HA
	 ) 2.4 0.5 0.5 volume=1355266021.000 peak=150 ppm1=1.273 ppm2=4.198

assign ( resid 6 and name HB#
	 )
       ( resid 72 and name HA
	 ) 3.8 0.8 0.8 volume=94241355.938 peak=151 ppm1=1.273 ppm2=4.471

assign ( resid 6 and name HB#
	 )
       ( resid 7 and name H
	 ) 3.3 0.7 0.7 volume=201769176.000 peak=152 ppm1=1.273 ppm2=7.941

assign ( resid 6 and name HB#
	 )
       ( resid 6 and name H
	 ) 2.9 0.6 0.6 volume=441964887.000 peak=153 ppm1=1.273 ppm2=8.232

assign ( resid 6 and name HB#
	 )
       ( resid 10 and name H
	 ) 3.4 0.7 0.7 volume=165960820.000 peak=154 ppm1=1.271 ppm2=8.137

assign ( resid 6 and name HA
	 )
       ( resid 4 and name HA
	 ) 4.3 0.9 0.9 volume=42990987.875 peak=156 ppm1=4.193 ppm2=4.401

assign ( resid 6 and name HA
	 )
       ( resid 10 and name HB#
	 ) 3.8 0.8 0.8 volume=85474031.750 peak=159 ppm1=4.194 ppm2=1.464

assign ( resid 6 and name HA
	 )
       ( resid 7 and name H
	 ) 3.6 0.7 0.7 volume=124066139.250 peak=162 ppm1=4.198 ppm2=7.944

assign ( resid 6 and name HA
	 )
       ( resid 10 and name H
	 ) 3.4 0.7 0.7 volume=185862112.500 peak=163 ppm1=4.196 ppm2=8.141

assign ( resid 7 and name HA
	 )
       ( resid 11 and name H
	 ) 4.4 0.9 0.9 volume=39897369.000 peak=164 ppm1=4.060 ppm2=7.773

assign ( resid 7 and name HA
	 )
       ( resid 8 and name H
	 ) 3.5 0.7 0.7 volume=151807657.750 peak=165 ppm1=4.058 ppm2=8.301

assign ( resid 7 and name HA
	 )
       ( resid 10 and name H
	 ) 3.5 0.7 0.7 volume=147846728.500 peak=166 ppm1=4.058 ppm2=8.128

assign ( resid 7 and name HA
	 )
       ( resid 7 and name H
	 ) 3.5 0.7 0.7 volume=159262458.250 peak=167 ppm1=4.058 ppm2=7.946

assign ( resid 7 and name HA
	 )
       ( resid 10 and name HB#
	 ) 2.9 0.6 0.6 volume=480715290.000 peak=169 ppm1=4.058 ppm2=1.453

assign ( resid 7 and name HA
	 )
       ( resid 6 and name HB#
	 ) 3.1 0.6 0.6 volume=40717480.797 peak=170 ppm1=4.058 ppm2=1.289

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name HA
	 ) 2.6 0.5 0.5 volume=817404568.000 peak=171 ppm1=1.185 ppm2=4.064

assign ( resid 7 and name HB
	 )
       ( resid 8 and name HA
	 ) 4.2 0.8 0.8 volume=50593399.668 peak=172 ppm1=4.234 ppm2=4.437

assign ( resid 7 and name HB
	 )
       ( resid 7 and name H
	 ) 3.2 0.6 0.6 volume=254675640.000 peak=173 ppm1=4.239 ppm2=7.946

assign ( resid 7 and name HB
	 )
       ( resid 8 and name H
	 ) 2.9 0.6 0.6 volume=432874663.000 peak=174 ppm1=4.235 ppm2=8.295

assign ( resid 67 and name HB
	 )
       ( resid 67 and name H
	 ) 3.0 0.6 0.6 volume=349508773.500 peak=175 ppm1=4.231 ppm2=8.514

assign ( resid 33 and name HG2#
	 )
       ( resid 51 and name HZ
	 ) 4.0 0.8 0.8 volume=64983852.203 peak=176 ppm1=1.183 ppm2=6.820

assign ( resid 35 and name HG2#
	 )
       ( resid 36 and name H
	 ) 3.2 0.6 0.6 volume=232505783.250 peak=178 ppm1=1.202 ppm2=7.769

assign ( resid 33 and name HG2#
	 )
       ( resid 37 and name H
	 ) 3.8 0.8 0.8 volume=88862591.000 peak=179 ppm1=1.183 ppm2=7.659

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name H
	 ) 3.3 0.7 0.7 volume=204260597.625 peak=180 ppm1=1.184 ppm2=7.948

assign ( resid 7 and name HG2#
	 )
       ( resid 8 and name H
	 ) 3.8 0.8 0.8 volume=93098575.750 peak=181 ppm1=1.182 ppm2=8.285

assign ( resid 33 and name HG2#
	 )
       ( resid 34 and name H
	 ) 3.4 0.7 0.7 volume=162499425.500 peak=182 ppm1=1.185 ppm2=8.372

assign ( resid 7 and name HG2#
	 )
       ( resid 4 and name HA
	 ) 3.8 0.8 0.8 volume=95735778.875 peak=183 ppm1=1.182 ppm2=4.424

assign ( resid 7 and name HG2#
	 )
       ( resid 4 and name HB3
	 ) 3.4 0.7 0.7 volume=191240356.750 peak=186 ppm1=1.183 ppm2=3.947

assign ( resid 7 and name HG2#
	 )
       ( resid 8 and name HB2
	 ) 3.8 0.8 0.8 volume=87891985.125 peak=188 ppm1=1.180 ppm2=2.746

assign ( resid 41 and name HG2#
	 )
       ( resid 43 and name HG2
	 ) 3.6 0.7 0.7 volume=61293556.688 peak=189 ppm1=1.188 ppm2=2.196

assign ( resid 33 and name HG2#
	 )
       ( resid 54 and name HG
	 ) 3.2 0.6 0.6 volume=241680102.750 peak=190 ppm1=1.185 ppm2=1.630

assign ( resid 33 and name HG2#
	 )
       ( resid 54 and name HD2#
	 ) 2.2 0.4 0.4 volume=2370162464.000 peak=191 ppm1=1.184 ppm2=0.698

assign ( resid 96 and name HG2#
	 )
       ( resid 74 and name HD2#
	 ) 5.1 1.0 1.0 volume=14649834.844 peak=192 ppm1=1.181 ppm2=0.701

assign ( resid 33 and name HG2#
	 )
       ( resid 64 and name HD1#
	 ) 3.2 0.6 0.6 volume=235174692.375 peak=193 ppm1=1.185 ppm2=0.397

assign ( resid 71 and name HA
	 )
       ( resid 28 and name HD1#
	 ) 3.9 0.8 0.8 volume=72680808.250 peak=194 ppm1=4.441 ppm2=0.699

assign ( resid 71 and name HA
	 )
       ( resid 28 and name HD2#
	 ) 3.8 0.8 0.8 volume=96103288.625 peak=195 ppm1=4.440 ppm2=0.817

assign ( resid 71 and name HA
	 )
       ( resid 72 and name HG2#
	 ) 4.1 0.8 0.8 volume=55467645.000 peak=196 ppm1=4.442 ppm2=1.118

assign ( resid 71 and name HA
	 )
       ( resid 5 and name HB#
	 ) 3.2 0.6 0.6 volume=231481168.750 peak=197 ppm1=4.444 ppm2=1.333

assign ( resid 71 and name HA
	 )
       ( resid 71 and name HB2
	 ) 3.1 0.6 0.6 volume=278956499.000 peak=200 ppm1=4.443 ppm2=2.622

assign ( resid 8 and name HB2
	 )
       ( resid 8 and name HA
	 ) 2.9 0.6 0.6 volume=394164806.500 peak=201 ppm1=2.734 ppm2=4.443

assign ( resid 71 and name HA
	 )
       ( resid 71 and name HB3
	 ) 3.0 0.6 0.6 volume=397479592.500 peak=202 ppm1=4.444 ppm2=2.748

assign ( resid 71 and name HA
	 )
       ( resid 70 and name HB2
	 ) 4.2 0.8 0.8 volume=49304710.250 peak=203 ppm1=4.439 ppm2=3.265

assign ( resid 8 and name HA
	 )
       ( resid 9 and name HA
	 ) 3.9 0.8 0.8 volume=74670594.188 peak=204 ppm1=4.446 ppm2=4.074

assign ( resid 71 and name HA
	 )
       ( resid 71 and name HD21
	 ) 4.1 0.8 0.8 volume=53743288.750 peak=206 ppm1=4.443 ppm2=7.222

assign ( resid 71 and name HA
	 )
       ( resid 71 and name HD22
	 ) 3.3 0.7 0.7 volume=198848537.500 peak=207 ppm1=4.443 ppm2=7.345

assign ( resid 8 and name HA
	 )
       ( resid 11 and name H
	 ) 3.6 0.7 0.7 volume=133249047.250 peak=208 ppm1=4.445 ppm2=7.784

assign ( resid 71 and name HA
	 )
       ( resid 72 and name H
	 ) 3.8 0.8 0.8 volume=91950410.625 peak=209 ppm1=4.443 ppm2=7.864

assign ( resid 8 and name HA
	 )
       ( resid 9 and name H
	 ) 3.1 0.6 0.6 volume=285305174.500 peak=210 ppm1=4.445 ppm2=8.146

assign ( resid 8 and name HA
	 )
       ( resid 8 and name H
	 ) 3.4 0.7 0.7 volume=182401799.000 peak=211 ppm1=4.445 ppm2=8.296

assign ( resid 8 and name HB2
	 )
       ( resid 8 and name HB3
	 ) 2.2 0.4 0.4 volume=2007135364.000 peak=212 ppm1=2.733 ppm2=2.637

assign ( resid 8 and name HB3
	 )
       ( resid 9 and name HB3
	 ) 4.4 0.9 0.9 volume=36151097.500 peak=214 ppm1=2.634 ppm2=1.880

assign ( resid 8 and name HB3
	 )
       ( resid 11 and name HB#
	 ) 3.3 0.7 0.7 volume=116343620.750 peak=215 ppm1=2.639 ppm2=1.471

assign ( resid 8 and name HB2
	 )
       ( resid 11 and name HB#
	 ) 3.3 0.7 0.7 volume=220165279.000 peak=216 ppm1=2.747 ppm2=1.470

assign ( resid 5 and name HB#
	 )
       ( resid 8 and name HB3
	 ) 3.9 0.8 0.8 volume=77962694.125 peak=217 ppm1=1.336 ppm2=2.632

assign ( resid 72 and name HG2#
	 )
       ( resid 71 and name HB3
	 ) 3.5 0.7 0.7 volume=94902043.000 peak=218 ppm1=1.119 ppm2=2.747

assign ( resid 71 and name HB2
	 )
       ( resid 67 and name HG2#
	 ) 4.2 0.8 0.8 volume=51274360.750 peak=220 ppm1=2.623 ppm2=1.249

assign ( resid 53 and name HB3
	 )
       ( resid 54 and name HG
	 ) 4.0 0.8 0.8 volume=62637318.250 peak=221 ppm1=2.751 ppm2=1.644

assign ( resid 8 and name HB3
	 )
       ( resid 9 and name HB2
	 ) 4.3 0.9 0.9 volume=40867835.938 peak=222 ppm1=2.634 ppm2=1.625

assign ( resid 8 and name HB2
	 )
       ( resid 9 and name HB3
	 ) 4.4 0.9 0.9 volume=37357373.562 peak=223 ppm1=2.739 ppm2=1.885

assign ( resid 53 and name HB2
	 )
       ( resid 51 and name HA
	 ) 3.5 0.7 0.7 volume=142308374.750 peak=225 ppm1=2.628 ppm2=4.085

assign ( resid 8 and name HB3
	 )
       ( resid 8 and name HA
	 ) 2.9 0.6 0.6 volume=428905400.000 peak=226 ppm1=2.637 ppm2=4.443

assign ( resid 71 and name HB3
	 )
       ( resid 71 and name HD22
	 ) 3.8 0.8 0.8 volume=94244962.750 peak=228 ppm1=2.749 ppm2=7.341

assign ( resid 71 and name HB2
	 )
       ( resid 71 and name HD22
	 ) 3.8 0.8 0.8 volume=87001460.625 peak=229 ppm1=2.627 ppm2=7.339

assign ( resid 71 and name HB3
	 )
       ( resid 72 and name H
	 ) 4.0 0.8 0.8 volume=68561113.500 peak=230 ppm1=2.748 ppm2=7.864

assign ( resid 71 and name HB2
	 )
       ( resid 72 and name H
	 ) 3.6 0.7 0.7 volume=119550189.250 peak=231 ppm1=2.619 ppm2=7.862

assign ( resid 8 and name HB2
	 )
       ( resid 9 and name H
	 ) 3.1 0.6 0.6 volume=281897950.000 peak=232 ppm1=2.742 ppm2=8.154

assign ( resid 8 and name HB3
	 )
       ( resid 9 and name H
	 ) 3.1 0.6 0.6 volume=289729182.500 peak=233 ppm1=2.635 ppm2=8.155

assign ( resid 8 and name HB2
	 )
       ( resid 8 and name H
	 ) 3.4 0.7 0.7 volume=181495173.500 peak=234 ppm1=2.732 ppm2=8.298

assign ( resid 8 and name HB3
	 )
       ( resid 8 and name H
	 ) 3.4 0.7 0.7 volume=177295585.500 peak=235 ppm1=2.639 ppm2=8.298

assign ( resid 62 and name HA
	 )
       ( resid 62 and name H
	 ) 3.2 0.6 0.6 volume=244945209.000 peak=236 ppm1=4.083 ppm2=7.140

assign ( resid 25 and name HA
	 )
       ( resid 28 and name H
	 ) 3.3 0.7 0.7 volume=203985454.750 peak=237 ppm1=4.075 ppm2=7.471

assign ( resid 12 and name HA
	 )
       ( resid 11 and name H
	 ) 3.5 0.7 0.7 volume=155156272.500 peak=238 ppm1=4.107 ppm2=7.805

assign ( resid 90 and name HA
	 )
       ( resid 93 and name H
	 ) 3.7 0.7 0.7 volume=99301663.875 peak=239 ppm1=3.996 ppm2=7.801

assign ( resid 64 and name HA
	 )
       ( resid 65 and name H
	 ) 3.2 0.6 0.6 volume=235664282.250 peak=240 ppm1=3.909 ppm2=7.764

assign ( resid 92 and name HA
	 )
       ( resid 92 and name H
	 ) 3.2 0.6 0.6 volume=268598669.000 peak=241 ppm1=3.905 ppm2=7.819

assign ( resid 23 and name HA
	 )
       ( resid 23 and name H
	 ) 3.0 0.6 0.6 volume=349045572.000 peak=242 ppm1=4.030 ppm2=7.975

assign ( resid 12 and name HA
	 )
       ( resid 12 and name H
	 ) 3.3 0.7 0.7 volume=195719912.000 peak=243 ppm1=4.104 ppm2=7.978

assign ( resid 9 and name HA
	 )
       ( resid 10 and name H
	 ) 3.0 0.6 0.6 volume=342006955.500 peak=244 ppm1=4.058 ppm2=8.142

assign ( resid 43 and name HA
	 )
       ( resid 43 and name H
	 ) 3.3 0.7 0.7 volume=218674035.500 peak=245 ppm1=4.041 ppm2=9.006

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HD3
	 ) 3.8 0.8 0.8 volume=96751667.875 peak=247 ppm1=4.056 ppm2=3.131

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HB2
	 ) 2.9 0.6 0.6 volume=435731060.000 peak=251 ppm1=4.073 ppm2=1.927

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG3
	 ) 3.0 0.6 0.6 volume=290882200.000 peak=252 ppm1=4.064 ppm2=1.764

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG2
	 ) 2.9 0.6 0.6 volume=379028011.000 peak=253 ppm1=4.064 ppm2=1.585

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HD1#
	 ) 2.6 0.5 0.5 volume=805898772.000 peak=256 ppm1=4.071 ppm2=0.767

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HD1#
	 ) 2.8 0.6 0.6 volume=532333216.000 peak=257 ppm1=1.891 ppm2=0.836

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HD1#
	 ) 2.7 0.5 0.5 volume=540223308.000 peak=258 ppm1=1.626 ppm2=0.833

assign ( resid 9 and name HB2
	 )
       ( resid 98 and name HD2#
	 ) 3.9 0.8 0.8 volume=72016692.875 peak=259 ppm1=1.628 ppm2=0.739

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HB2
	 ) 2.8 0.6 0.6 volume=546579025.000 peak=261 ppm1=1.891 ppm2=1.625

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HB2
	 ) 3.6 0.7 0.7 volume=66105326.125 peak=264 ppm1=4.197 ppm2=1.622

assign ( resid 6 and name HA
	 )
       ( resid 9 and name HB3
	 ) 3.4 0.7 0.7 volume=92874344.500 peak=266 ppm1=4.198 ppm2=1.894

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HA
	 ) 2.9 0.6 0.6 volume=234960064.500 peak=267 ppm1=1.890 ppm2=4.056

assign ( resid 72 and name HA
	 )
       ( resid 9 and name HB2
	 ) 4.0 0.8 0.8 volume=29822514.281 peak=268 ppm1=4.497 ppm2=1.627

assign ( resid 9 and name HB3
	 )
       ( resid 10 and name H
	 ) 3.0 0.6 0.6 volume=375068407.000 peak=269 ppm1=1.891 ppm2=8.138

assign ( resid 9 and name HB2
	 )
       ( resid 10 and name H
	 ) 3.1 0.6 0.6 volume=310228441.500 peak=270 ppm1=1.626 ppm2=8.143

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HG
	 ) 3.3 0.7 0.7 volume=142729999.500 peak=271 ppm1=4.056 ppm2=1.480

assign ( resid 9 and name HG
	 )
       ( resid 10 and name H
	 ) 3.6 0.7 0.7 volume=130790918.750 peak=272 ppm1=1.485 ppm2=8.136

assign ( resid 9 and name HG
	 )
       ( resid 9 and name HB2
	 ) 3.1 0.6 0.6 volume=198960258.000 peak=273 ppm1=1.483 ppm2=1.625

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HG
	 ) 3.1 0.6 0.6 volume=226167824.500 peak=274 ppm1=1.891 ppm2=1.480

assign ( resid 9 and name HG
	 )
       ( resid 72 and name HG2#
	 ) 3.6 0.7 0.7 volume=74969437.250 peak=275 ppm1=1.480 ppm2=1.118

assign ( resid 9 and name HG
	 )
       ( resid 98 and name HD2#
	 ) 3.1 0.6 0.6 volume=305642120.000 peak=277 ppm1=1.488 ppm2=0.735

assign ( resid 10 and name HA
	 )
       ( resid 14 and name H
	 ) 4.2 0.8 0.8 volume=49201336.812 peak=279 ppm1=3.886 ppm2=7.524

assign ( resid 10 and name HA
	 )
       ( resid 10 and name H
	 ) 2.9 0.6 0.6 volume=435490526.000 peak=280 ppm1=3.887 ppm2=8.125

assign ( resid 10 and name HA
	 )
       ( resid 12 and name H
	 ) 4.4 0.9 0.9 volume=39695170.562 peak=281 ppm1=3.888 ppm2=7.920

assign ( resid 10 and name HA
	 )
       ( resid 11 and name H
	 ) 3.6 0.7 0.7 volume=116737608.750 peak=282 ppm1=3.887 ppm2=7.782

assign ( resid 10 and name HA
	 )
       ( resid 12 and name HB2
	 ) 3.2 0.6 0.6 volume=249588026.000 peak=283 ppm1=3.886 ppm2=1.928

assign ( resid 10 and name HA
	 )
       ( resid 9 and name HB2
	 ) 4.1 0.8 0.8 volume=53729234.000 peak=284 ppm1=3.883 ppm2=1.651

assign ( resid 10 and name HA
	 )
       ( resid 13 and name HB2
	 ) 3.8 0.8 0.8 volume=97410184.625 peak=286 ppm1=3.886 ppm2=1.330

assign ( resid 10 and name HA
	 )
       ( resid 9 and name HD2#
	 ) 3.5 0.7 0.7 volume=149294229.000 peak=287 ppm1=3.887 ppm2=0.862

assign ( resid 13 and name HD2#
	 )
       ( resid 10 and name HA
	 ) 3.0 0.6 0.6 volume=390288181.000 peak=288 ppm1=0.755 ppm2=3.883

assign ( resid 50 and name HB#
	 )
       ( resid 53 and name H
	 ) 2.8 0.6 0.6 volume=522908682.000 peak=289 ppm1=1.470 ppm2=7.117

assign ( resid 10 and name HB#
	 )
       ( resid 10 and name H
	 ) 2.4 0.5 0.5 volume=1429084888.000 peak=290 ppm1=1.452 ppm2=8.123

assign ( resid 50 and name HB#
	 )
       ( resid 52 and name H
	 ) 3.0 0.6 0.6 volume=342041943.500 peak=291 ppm1=1.471 ppm2=9.130

assign ( resid 50 and name HB#
	 )
       ( resid 50 and name H
	 ) 2.5 0.5 0.5 volume=991531810.000 peak=292 ppm1=1.471 ppm2=8.716

assign ( resid 50 and name HB#
	 )
       ( resid 51 and name H
	 ) 3.0 0.6 0.6 volume=353896788.500 peak=293 ppm1=1.472 ppm2=8.629

assign ( resid 31 and name HB#
	 )
       ( resid 32 and name H
	 ) 2.7 0.5 0.5 volume=651018199.000 peak=294 ppm1=1.480 ppm2=8.272

assign ( resid 11 and name HB#
	 )
       ( resid 12 and name H
	 ) 2.7 0.5 0.5 volume=698461519.000 peak=295 ppm1=1.471 ppm2=7.928

assign ( resid 11 and name HB#
	 )
       ( resid 11 and name H
	 ) 2.3 0.5 0.5 volume=1896112308.000 peak=296 ppm1=1.453 ppm2=7.780

assign ( resid 10 and name HB#
	 )
       ( resid 14 and name HD22
	 ) 4.7 0.9 0.9 volume=26913539.844 peak=297 ppm1=1.454 ppm2=7.660

assign ( resid 31 and name HB#
	 )
       ( resid 28 and name H
	 ) 3.6 0.7 0.7 volume=123141672.000 peak=298 ppm1=1.472 ppm2=7.523

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HB#
	 ) 2.3 0.5 0.5 volume=1635148746.000 peak=299 ppm1=3.886 ppm2=1.451

assign ( resid 11 and name HB#
	 )
       ( resid 11 and name HA
	 ) 2.2 0.4 0.4 volume=2425722972.000 peak=301 ppm1=1.472 ppm2=4.124

assign ( resid 31 and name HA
	 )
       ( resid 31 and name HB#
	 ) 2.4 0.5 0.5 volume=1529606140.000 peak=302 ppm1=4.007 ppm2=1.479

assign ( resid 50 and name HB#
	 )
       ( resid 51 and name HB2
	 ) 2.8 0.6 0.6 volume=512967093.000 peak=303 ppm1=1.470 ppm2=2.785

assign ( resid 50 and name HB#
	 )
       ( resid 52 and name HE2
	 ) 3.5 0.7 0.7 volume=149326783.500 peak=305 ppm1=1.472 ppm2=2.978

assign ( resid 31 and name HB#
	 )
       ( resid 42 and name HB2
	 ) 3.1 0.6 0.6 volume=304299540.500 peak=306 ppm1=1.479 ppm2=2.075

assign ( resid 50 and name HB#
	 )
       ( resid 85 and name HB3
	 ) 3.6 0.7 0.7 volume=125665322.875 peak=307 ppm1=1.468 ppm2=2.316

assign ( resid 50 and name HB#
	 )
       ( resid 52 and name HB3
	 ) 2.8 0.6 0.6 volume=537481072.000 peak=308 ppm1=1.471 ppm2=1.914

assign ( resid 10 and name HB#
	 )
       ( resid 98 and name HD1#
	 ) 3.0 0.6 0.6 volume=410412859.000 peak=309 ppm1=1.451 ppm2=0.869

assign ( resid 10 and name HB#
	 )
       ( resid 98 and name HD2#
	 ) 3.2 0.6 0.6 volume=276085267.500 peak=310 ppm1=1.450 ppm2=0.754

assign ( resid 31 and name HB#
	 )
       ( resid 28 and name HD1#
	 ) 3.3 0.7 0.7 volume=230448032.750 peak=312 ppm1=1.475 ppm2=0.699

assign ( resid 50 and name HB#
	 )
       ( resid 86 and name HG2#
	 ) 2.9 0.6 0.6 volume=504229769.000 peak=313 ppm1=1.470 ppm2=0.939

assign ( resid 11 and name HA
	 )
       ( resid 14 and name H
	 ) 3.6 0.7 0.7 volume=129642829.250 peak=316 ppm1=4.123 ppm2=7.524

assign ( resid 11 and name HA
	 )
       ( resid 12 and name H
	 ) 3.7 0.7 0.7 volume=114768426.750 peak=317 ppm1=4.124 ppm2=7.934

assign ( resid 11 and name HA
	 )
       ( resid 13 and name H
	 ) 3.7 0.7 0.7 volume=105975469.250 peak=319 ppm1=4.119 ppm2=8.132

assign ( resid 12 and name HB2
	 )
       ( resid 24 and name HG2#
	 ) 4.4 0.9 0.9 volume=39078918.188 peak=320 ppm1=1.889 ppm2=1.028

assign ( resid 9 and name HD1#
	 )
       ( resid 12 and name HB3
	 ) 2.7 0.5 0.5 volume=183573618.500 peak=321 ppm1=0.824 ppm2=1.949

assign ( resid 12 and name HB2
	 )
       ( resid 9 and name HD1#
	 ) 2.7 0.5 0.5 volume=187607090.000 peak=322 ppm1=1.889 ppm2=0.818

assign ( resid 12 and name HB3
	 )
       ( resid 13 and name HD2#
	 ) 3.7 0.7 0.7 volume=102829358.750 peak=323 ppm1=1.969 ppm2=0.752

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HB3
	 ) 3.0 0.6 0.6 volume=287984928.500 peak=324 ppm1=1.584 ppm2=1.963

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name HB2
	 ) 2.9 0.6 0.6 volume=309462686.000 peak=325 ppm1=1.584 ppm2=1.889

assign ( resid 12 and name HB3
	 )
       ( resid 11 and name HB#
	 ) 3.9 0.8 0.8 volume=72329969.875 peak=326 ppm1=1.971 ppm2=1.471

assign ( resid 12 and name HB2
	 )
       ( resid 11 and name HB#
	 ) 4.0 0.8 0.8 volume=65646135.250 peak=327 ppm1=1.889 ppm2=1.467

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name HG3
	 ) 2.9 0.6 0.6 volume=461556530.000 peak=328 ppm1=1.970 ppm2=1.762

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HG3
	 ) 2.8 0.6 0.6 volume=487731327.000 peak=329 ppm1=1.889 ppm2=1.761

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name HB2
	 ) 2.4 0.5 0.5 volume=1530575072.000 peak=330 ppm1=1.970 ppm2=1.893

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name HA
	 ) 2.4 0.5 0.5 volume=540657146.000 peak=334 ppm1=1.970 ppm2=4.062

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HA
	 ) 2.8 0.6 0.6 volume=535343166.000 peak=335 ppm1=1.889 ppm2=4.062

assign ( resid 12 and name HB3
	 )
       ( resid 13 and name H
	 ) 3.5 0.7 0.7 volume=148368510.000 peak=336 ppm1=1.971 ppm2=8.133

assign ( resid 12 and name HB2
	 )
       ( resid 13 and name H
	 ) 3.5 0.7 0.7 volume=144681595.750 peak=337 ppm1=1.889 ppm2=8.129

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name H
	 ) 3.0 0.6 0.6 volume=360224690.500 peak=338 ppm1=1.970 ppm2=7.927

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name H
	 ) 3.1 0.6 0.6 volume=330354390.000 peak=339 ppm1=1.889 ppm2=7.928

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HG2
	 ) 2.3 0.5 0.5 volume=1851115468.000 peak=344 ppm1=1.759 ppm2=1.584

assign ( resid 12 and name HG3
	 )
       ( resid 11 and name HB#
	 ) 4.1 0.8 0.8 volume=58817907.125 peak=345 ppm1=1.761 ppm2=1.462

assign ( resid 12 and name HG2
	 )
       ( resid 11 and name HB#
	 ) 4.5 0.9 0.9 volume=31562056.234 peak=346 ppm1=1.583 ppm2=1.460

assign ( resid 12 and name HG3
	 )
       ( resid 9 and name HD1#
	 ) 3.4 0.7 0.7 volume=90434982.125 peak=347 ppm1=1.760 ppm2=0.797

assign ( resid 12 and name HG3
	 )
       ( resid 13 and name H
	 ) 4.1 0.8 0.8 volume=56687240.750 peak=352 ppm1=1.759 ppm2=8.134

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name H
	 ) 3.3 0.7 0.7 volume=216055901.250 peak=353 ppm1=1.760 ppm2=7.925

assign ( resid 12 and name HG2
	 )
       ( resid 13 and name H
	 ) 4.2 0.8 0.8 volume=52033954.250 peak=354 ppm1=1.587 ppm2=8.128

assign ( resid 12 and name HG2
	 )
       ( resid 12 and name H
	 ) 3.4 0.7 0.7 volume=169546321.500 peak=355 ppm1=1.585 ppm2=7.929

assign ( resid 12 and name HD3
	 )
       ( resid 12 and name HG2
	 ) 2.6 0.5 0.5 volume=829833198.000 peak=356 ppm1=3.135 ppm2=1.584

assign ( resid 12 and name HD3
	 )
       ( resid 12 and name HG3
	 ) 2.7 0.5 0.5 volume=664160613.000 peak=357 ppm1=3.135 ppm2=1.761

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name HD3
	 ) 3.0 0.6 0.6 volume=359196184.000 peak=358 ppm1=1.969 ppm2=3.133

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HD3
	 ) 2.9 0.6 0.6 volume=429576496.000 peak=359 ppm1=1.887 ppm2=3.131

assign ( resid 24 and name HG2#
	 )
       ( resid 12 and name HD3
	 ) 3.5 0.7 0.7 volume=155381635.250 peak=360 ppm1=1.035 ppm2=3.134

assign ( resid 12 and name HD3
	 )
       ( resid 9 and name HD1#
	 ) 3.1 0.6 0.6 volume=301346324.500 peak=361 ppm1=3.136 ppm2=0.821

assign ( resid 12 and name HD3
	 )
       ( resid 11 and name HB#
	 ) 4.1 0.8 0.8 volume=61113319.875 peak=362 ppm1=3.128 ppm2=1.466

assign ( resid 12 and name HD3
	 )
       ( resid 13 and name HD2#
	 ) 3.6 0.7 0.7 volume=126025071.250 peak=363 ppm1=3.134 ppm2=0.749

assign ( resid 12 and name HD3
	 )
       ( resid 12 and name HA
	 ) 3.1 0.6 0.6 volume=334894673.000 peak=364 ppm1=3.136 ppm2=4.058

assign ( resid 12 and name HD3
	 )
       ( resid 13 and name H
	 ) 4.0 0.8 0.8 volume=65864784.250 peak=365 ppm1=3.140 ppm2=8.133

assign ( resid 12 and name HD3
	 )
       ( resid 12 and name H
	 ) 3.8 0.8 0.8 volume=90830416.875 peak=366 ppm1=3.136 ppm2=7.931

assign ( resid 13 and name HA
	 )
       ( resid 21 and name HA
	 ) 4.3 0.9 0.9 volume=41376402.688 peak=367 ppm1=4.084 ppm2=3.728

assign ( resid 13 and name HA
	 )
       ( resid 13 and name H
	 ) 3.4 0.7 0.7 volume=182428994.000 peak=368 ppm1=4.085 ppm2=8.132

assign ( resid 13 and name HA
	 )
       ( resid 14 and name H
	 ) 3.6 0.7 0.7 volume=120460512.000 peak=369 ppm1=4.085 ppm2=7.524

assign ( resid 13 and name HA
	 )
       ( resid 21 and name HG2
	 ) 4.3 0.9 0.9 volume=44660463.812 peak=370 ppm1=4.084 ppm2=2.843

assign ( resid 13 and name HA
	 )
       ( resid 16 and name HB3
	 ) 4.1 0.8 0.8 volume=60716197.188 peak=372 ppm1=4.092 ppm2=1.619

assign ( resid 13 and name HB2
	 )
       ( resid 13 and name HA
	 ) 3.3 0.7 0.7 volume=224302108.500 peak=374 ppm1=1.329 ppm2=4.097

assign ( resid 13 and name HA
	 )
       ( resid 13 and name HD2#
	 ) 2.5 0.5 0.5 volume=1106797954.000 peak=375 ppm1=4.086 ppm2=0.752

assign ( resid 13 and name HB3
	 )
       ( resid 10 and name HA
	 ) 3.7 0.7 0.7 volume=109716135.375 peak=378 ppm1=1.923 ppm2=3.886

assign ( resid 64 and name HA
	 )
       ( resid 64 and name HB3
	 ) 3.5 0.7 0.7 volume=131191850.750 peak=379 ppm1=3.921 ppm2=1.791

assign ( resid 64 and name HB3
	 )
       ( resid 61 and name HA
	 ) 3.4 0.7 0.7 volume=124148106.500 peak=380 ppm1=1.791 ppm2=3.631

assign ( resid 68 and name HB2
	 )
       ( resid 65 and name HA
	 ) 4.0 0.8 0.8 volume=64830024.375 peak=381 ppm1=1.892 ppm2=3.633

assign ( resid 13 and name HB3
	 )
       ( resid 13 and name H
	 ) 3.2 0.6 0.6 volume=242369697.000 peak=383 ppm1=1.923 ppm2=8.133

assign ( resid 64 and name HB3
	 )
       ( resid 64 and name H
	 ) 3.4 0.7 0.7 volume=191575549.250 peak=384 ppm1=1.789 ppm2=8.585

assign ( resid 59 and name HB2
	 )
       ( resid 60 and name H
	 ) 3.4 0.7 0.7 volume=178593500.500 peak=385 ppm1=1.971 ppm2=8.841

assign ( resid 68 and name HB2
	 )
       ( resid 68 and name H
	 ) 3.5 0.7 0.7 volume=153402878.250 peak=386 ppm1=1.901 ppm2=8.293

assign ( resid 59 and name HB3
	 )
       ( resid 59 and name H
	 ) 3.5 0.7 0.7 volume=149052284.750 peak=387 ppm1=1.659 ppm2=8.202

assign ( resid 94 and name HB2
	 )
       ( resid 94 and name H
	 ) 3.4 0.7 0.7 volume=171637208.000 peak=388 ppm1=1.951 ppm2=8.523

assign ( resid 13 and name HB2
	 )
       ( resid 14 and name H
	 ) 3.7 0.7 0.7 volume=108028412.250 peak=389 ppm1=1.329 ppm2=7.511

assign ( resid 13 and name HB3
	 )
       ( resid 14 and name H
	 ) 3.5 0.7 0.7 volume=155991164.875 peak=390 ppm1=1.924 ppm2=7.509

assign ( resid 13 and name HB3
	 )
       ( resid 13 and name HA
	 ) 2.9 0.6 0.6 volume=420004108.000 peak=392 ppm1=1.921 ppm2=4.095

assign ( resid 13 and name HB2
	 )
       ( resid 13 and name HB3
	 ) 2.7 0.5 0.5 volume=586997996.000 peak=394 ppm1=1.327 ppm2=1.926

assign ( resid 13 and name HD2#
	 )
       ( resid 13 and name HB2
	 ) 2.7 0.5 0.5 volume=685771952.000 peak=395 ppm1=0.753 ppm2=1.339

assign ( resid 13 and name HD2#
	 )
       ( resid 13 and name HB3
	 ) 2.6 0.5 0.5 volume=934137096.000 peak=396 ppm1=0.749 ppm2=1.929

assign ( resid 85 and name HB2
	 )
       ( resid 85 and name HD2
	 ) 3.5 0.7 0.7 volume=145910656.750 peak=398 ppm1=2.264 ppm2=3.583

assign ( resid 85 and name HG2
	 )
       ( resid 85 and name HD2
	 ) 3.2 0.6 0.6 volume=254339001.500 peak=399 ppm1=1.988 ppm2=3.585

assign ( resid 85 and name HG2
	 )
       ( resid 85 and name HD3
	 ) 3.2 0.6 0.6 volume=247861209.500 peak=400 ppm1=1.988 ppm2=3.331

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HG3
	 ) 3.2 0.6 0.6 volume=251519301.000 peak=401 ppm1=3.585 ppm2=1.895

assign ( resid 85 and name HG3
	 )
       ( resid 85 and name HD3
	 ) 3.3 0.7 0.7 volume=205644152.000 peak=402 ppm1=1.896 ppm2=3.331

assign ( resid 85 and name HD3
	 )
       ( resid 89 and name HB#
	 ) 3.5 0.7 0.7 volume=139978913.500 peak=404 ppm1=3.334 ppm2=1.642

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HD3
	 ) 2.8 0.6 0.6 volume=540966063.000 peak=405 ppm1=3.585 ppm2=3.332

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HA
	 ) 4.5 0.9 0.9 volume=34557456.000 peak=407 ppm1=3.586 ppm2=5.130

assign ( resid 85 and name HD2
	 )
       ( resid 84 and name HA
	 ) 3.7 0.7 0.7 volume=100155019.750 peak=409 ppm1=3.586 ppm2=4.930

assign ( resid 85 and name HD2
	 )
       ( resid 84 and name H
	 ) 3.9 0.8 0.8 volume=75632849.625 peak=410 ppm1=3.584 ppm2=7.345

assign ( resid 85 and name HD3
	 )
       ( resid 84 and name H
	 ) 4.0 0.8 0.8 volume=66183055.625 peak=411 ppm1=3.330 ppm2=7.340

assign ( resid 85 and name HD2
	 )
       ( resid 86 and name HG2#
	 ) 4.4 0.9 0.9 volume=37037536.375 peak=412 ppm1=3.585 ppm2=0.945

assign ( resid 42 and name HD2
	 )
       ( resid 34 and name HB#
	 ) 3.8 0.8 0.8 volume=86270013.875 peak=413 ppm1=3.869 ppm2=1.316

assign ( resid 87 and name HD3
	 )
       ( resid 87 and name HD2
	 ) 3.1 0.6 0.6 volume=289265633.500 peak=415 ppm1=2.471 ppm2=3.691

assign ( resid 87 and name HD3
	 )
       ( resid 51 and name HA
	 ) 4.1 0.8 0.8 volume=54920946.938 peak=416 ppm1=2.473 ppm2=4.124

assign ( resid 87 and name HD2
	 )
       ( resid 51 and name HA
	 ) 4.0 0.8 0.8 volume=66289476.750 peak=417 ppm1=3.690 ppm2=4.126

assign ( resid 87 and name HD3
	 )
       ( resid 86 and name HA
	 ) 3.1 0.6 0.6 volume=321863714.000 peak=419 ppm1=2.471 ppm2=4.370

assign ( resid 87 and name HD2
	 )
       ( resid 88 and name H
	 ) 4.2 0.8 0.8 volume=47346788.062 peak=420 ppm1=3.696 ppm2=8.981

assign ( resid 87 and name HD3
	 )
       ( resid 88 and name H
	 ) 4.4 0.9 0.9 volume=37521827.562 peak=421 ppm1=2.470 ppm2=8.975

assign ( resid 87 and name HD3
	 )
       ( resid 86 and name HG2#
	 ) 3.8 0.8 0.8 volume=91037609.250 peak=422 ppm1=2.471 ppm2=0.943

assign ( resid 87 and name HD3
	 )
       ( resid 54 and name HD2#
	 ) 3.8 0.8 0.8 volume=87120946.750 peak=423 ppm1=2.471 ppm2=0.707

assign ( resid 48 and name HA
	 )
       ( resid 50 and name HB#
	 ) 4.7 0.9 0.9 volume=25410934.938 peak=425 ppm1=4.386 ppm2=1.493

assign ( resid 14 and name HA
	 )
       ( resid 14 and name H
	 ) 2.9 0.6 0.6 volume=456149113.000 peak=426 ppm1=4.364 ppm2=7.524

assign ( resid 14 and name HA
	 )
       ( resid 13 and name H
	 ) 4.1 0.8 0.8 volume=59575745.688 peak=427 ppm1=4.365 ppm2=8.127

assign ( resid 14 and name HA
	 )
       ( resid 16 and name H
	 ) 3.6 0.7 0.7 volume=115467548.000 peak=428 ppm1=4.364 ppm2=7.361

assign ( resid 14 and name HA
	 )
       ( resid 15 and name H
	 ) 3.5 0.7 0.7 volume=148823934.250 peak=429 ppm1=4.364 ppm2=8.412

assign ( resid 14 and name HA
	 )
       ( resid 15 and name HA2
	 ) 4.1 0.8 0.8 volume=61194199.875 peak=430 ppm1=4.362 ppm2=3.924

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HB2
	 ) 2.6 0.5 0.5 volume=934129818.000 peak=431 ppm1=4.364 ppm2=2.810

assign ( resid 14 and name HA
	 )
       ( resid 16 and name HD2#
	 ) 3.7 0.7 0.7 volume=106251267.750 peak=435 ppm1=4.363 ppm2=0.749

assign ( resid 14 and name HB2
	 )
       ( resid 11 and name HB#
	 ) 3.4 0.7 0.7 volume=190923371.000 peak=436 ppm1=2.810 ppm2=1.467

assign ( resid 14 and name HB2
	 )
       ( resid 13 and name HB3
	 ) 4.0 0.8 0.8 volume=64982209.875 peak=437 ppm1=2.812 ppm2=1.941

assign ( resid 14 and name HB2
	 )
       ( resid 10 and name HA
	 ) 4.3 0.9 0.9 volume=46218488.500 peak=438 ppm1=2.813 ppm2=3.907

assign ( resid 11 and name HA
	 )
       ( resid 14 and name HB2
	 ) 2.9 0.6 0.6 volume=457156486.000 peak=440 ppm1=4.123 ppm2=2.809

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HD21
	 ) 3.7 0.7 0.7 volume=99411987.000 peak=441 ppm1=2.809 ppm2=6.981

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name H
	 ) 2.5 0.5 0.5 volume=1193898696.000 peak=442 ppm1=2.810 ppm2=7.527

assign ( resid 14 and name HB2
	 )
       ( resid 11 and name H
	 ) 4.5 0.9 0.9 volume=31704717.719 peak=443 ppm1=2.806 ppm2=7.802

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HD22
	 ) 3.4 0.7 0.7 volume=184907210.250 peak=444 ppm1=2.812 ppm2=7.669

assign ( resid 14 and name HB2
	 )
       ( resid 15 and name H
	 ) 4.3 0.9 0.9 volume=45669823.500 peak=445 ppm1=2.813 ppm2=8.403

assign ( resid 14 and name HB2
	 )
       ( resid 13 and name H
	 ) 3.7 0.7 0.7 volume=114972333.500 peak=446 ppm1=2.811 ppm2=8.132

assign ( resid 15 and name HA3
	 )
       ( resid 15 and name H
	 ) 3.9 0.8 0.8 volume=75196943.375 peak=447 ppm1=3.983 ppm2=8.416

assign ( resid 15 and name HA2
	 )
       ( resid 15 and name H
	 ) 4.0 0.8 0.8 volume=66928323.875 peak=448 ppm1=3.927 ppm2=8.419

assign ( resid 15 and name HA3
	 )
       ( resid 14 and name HA
	 ) 4.4 0.9 0.9 volume=39373040.312 peak=449 ppm1=3.984 ppm2=4.353

assign ( resid 15 and name HA3
	 )
       ( resid 16 and name HD2#
	 ) 4.2 0.8 0.8 volume=47347695.875 peak=452 ppm1=3.963 ppm2=0.771

assign ( resid 16 and name HA
	 )
       ( resid 17 and name H
	 ) 3.0 0.6 0.6 volume=341610687.500 peak=453 ppm1=4.614 ppm2=8.828

assign ( resid 16 and name HA
	 )
       ( resid 15 and name HA3
	 ) 3.9 0.8 0.8 volume=79656386.125 peak=454 ppm1=4.612 ppm2=3.951

assign ( resid 16 and name HA
	 )
       ( resid 20 and name HB2
	 ) 4.0 0.8 0.8 volume=64502181.750 peak=455 ppm1=4.611 ppm2=2.029

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HD2#
	 ) 2.6 0.5 0.5 volume=879363716.000 peak=456 ppm1=4.614 ppm2=0.774

assign ( resid 16 and name HG
	 )
       ( resid 13 and name HA
	 ) 3.8 0.8 0.8 volume=95946171.500 peak=461 ppm1=1.781 ppm2=4.083

assign ( resid 16 and name HG
	 )
       ( resid 16 and name HA
	 ) 4.0 0.8 0.8 volume=62023198.000 peak=462 ppm1=1.781 ppm2=4.616

assign ( resid 16 and name HG
	 )
       ( resid 16 and name H
	 ) 3.6 0.7 0.7 volume=131496149.250 peak=463 ppm1=1.780 ppm2=7.352

assign ( resid 16 and name HG
	 )
       ( resid 20 and name HG3
	 ) 4.1 0.8 0.8 volume=61049634.625 peak=464 ppm1=1.784 ppm2=2.399

assign ( resid 16 and name HG
	 )
       ( resid 16 and name HB3
	 ) 3.5 0.7 0.7 volume=159253879.500 peak=465 ppm1=1.779 ppm2=1.598

assign ( resid 16 and name HG
	 )
       ( resid 16 and name HD2#
	 ) 2.4 0.5 0.5 volume=1004743344.000 peak=467 ppm1=1.780 ppm2=0.765

assign ( resid 16 and name HD2#
	 )
       ( resid 13 and name HA
	 ) 3.4 0.7 0.7 volume=191576669.000 peak=468 ppm1=0.780 ppm2=4.094

assign ( resid 16 and name HD2#
	 )
       ( resid 21 and name HG2
	 ) 4.0 0.8 0.8 volume=63079683.227 peak=470 ppm1=0.782 ppm2=2.871

assign ( resid 16 and name HD2#
	 )
       ( resid 20 and name H
	 ) 4.3 0.9 0.9 volume=44144285.844 peak=473 ppm1=0.780 ppm2=7.801

assign ( resid 16 and name HD2#
	 )
       ( resid 17 and name H
	 ) 3.5 0.7 0.7 volume=160170977.000 peak=474 ppm1=0.778 ppm2=8.831

assign ( resid 17 and name HA
	 )
       ( resid 17 and name H
	 ) 3.7 0.7 0.7 volume=104163145.250 peak=475 ppm1=4.665 ppm2=8.812

assign ( resid 17 and name HB2
	 )
       ( resid 17 and name HA
	 ) 3.0 0.6 0.6 volume=376294796.000 peak=477 ppm1=3.989 ppm2=4.658

assign ( resid 17 and name HB2
	 )
       ( resid 17 and name H
	 ) 3.5 0.7 0.7 volume=149405498.500 peak=478 ppm1=3.988 ppm2=8.829

assign ( resid 17 and name HB3
	 )
       ( resid 17 and name H
	 ) 3.9 0.8 0.8 volume=82931349.375 peak=479 ppm1=4.368 ppm2=8.825

assign ( resid 17 and name HB3
	 )
       ( resid 17 and name HA
	 ) 3.5 0.7 0.7 volume=145533655.250 peak=481 ppm1=4.375 ppm2=4.657

assign ( resid 17 and name HB3
	 )
       ( resid 17 and name HB2
	 ) 3.0 0.6 0.6 volume=297782668.000 peak=483 ppm1=4.373 ppm2=3.979

assign ( resid 17 and name HB3
	 )
       ( resid 18 and name HB3
	 ) 4.2 0.8 0.8 volume=50145330.375 peak=484 ppm1=4.376 ppm2=2.408

assign ( resid 17 and name HB3
	 )
       ( resid 20 and name HB2
	 ) 4.1 0.8 0.8 volume=55153819.625 peak=485 ppm1=4.378 ppm2=2.053

assign ( resid 17 and name HB2
	 )
       ( resid 20 and name HG3
	 ) 3.8 0.8 0.8 volume=85439714.875 peak=486 ppm1=3.989 ppm2=2.393

assign ( resid 17 and name HB2
	 )
       ( resid 20 and name HB2
	 ) 3.8 0.8 0.8 volume=87392366.500 peak=487 ppm1=3.987 ppm2=2.044

assign ( resid 18 and name HA
	 )
       ( resid 18 and name HD3
	 ) 4.0 0.8 0.8 volume=63886684.062 peak=488 ppm1=4.345 ppm2=3.920

assign ( resid 18 and name HA
	 )
       ( resid 19 and name H
	 ) 4.5 0.9 0.9 volume=33955400.656 peak=489 ppm1=4.342 ppm2=8.487

assign ( resid 18 and name HA
	 )
       ( resid 22 and name H
	 ) 4.0 0.8 0.8 volume=70798454.281 peak=490 ppm1=4.348 ppm2=7.991

assign ( resid 18 and name HA
	 )
       ( resid 21 and name H
	 ) 3.9 0.8 0.8 volume=83639629.750 peak=491 ppm1=4.351 ppm2=9.154

assign ( resid 18 and name HA
	 )
       ( resid 21 and name HG2
	 ) 4.0 0.8 0.8 volume=66932278.875 peak=492 ppm1=4.348 ppm2=2.877

assign ( resid 18 and name HA
	 )
       ( resid 18 and name HB3
	 ) 3.1 0.6 0.6 volume=299794331.000 peak=494 ppm1=4.348 ppm2=2.428

assign ( resid 18 and name HA
	 )
       ( resid 18 and name HG2
	 ) 3.6 0.7 0.7 volume=134679965.625 peak=495 ppm1=4.348 ppm2=2.228

assign ( resid 18 and name HG3
	 )
       ( resid 18 and name HA
	 ) 3.5 0.7 0.7 volume=145762364.500 peak=496 ppm1=2.103 ppm2=4.349

assign ( resid 18 and name HB2
	 )
       ( resid 18 and name HA
	 ) 3.3 0.7 0.7 volume=199036328.500 peak=497 ppm1=1.946 ppm2=4.348

assign ( resid 18 and name HB2
	 )
       ( resid 19 and name H
	 ) 4.0 0.8 0.8 volume=61964491.625 peak=501 ppm1=1.948 ppm2=8.487

assign ( resid 18 and name HG2
	 )
       ( resid 18 and name HG3
	 ) 2.7 0.5 0.5 volume=609576514.000 peak=507 ppm1=2.223 ppm2=2.103

assign ( resid 18 and name HB3
	 )
       ( resid 18 and name HG3
	 ) 3.1 0.6 0.6 volume=308994062.000 peak=508 ppm1=2.428 ppm2=2.103

assign ( resid 18 and name HG2
	 )
       ( resid 18 and name HB3
	 ) 3.2 0.6 0.6 volume=251612658.500 peak=509 ppm1=2.223 ppm2=2.428

assign ( resid 18 and name HB3
	 )
       ( resid 18 and name HB2
	 ) 2.5 0.5 0.5 volume=755264354.000 peak=510 ppm1=2.428 ppm2=1.946

assign ( resid 18 and name HG2
	 )
       ( resid 18 and name HB2
	 ) 2.9 0.6 0.6 volume=488255173.000 peak=511 ppm1=2.223 ppm2=1.944

assign ( resid 18 and name HB2
	 )
       ( resid 18 and name HG3
	 ) 2.8 0.6 0.6 volume=566894783.000 peak=512 ppm1=1.948 ppm2=2.106

assign ( resid 45 and name HA
	 )
       ( resid 46 and name H
	 ) 3.1 0.6 0.6 volume=332564793.000 peak=513 ppm1=3.952 ppm2=8.215

assign ( resid 19 and name HA
	 )
       ( resid 19 and name H
	 ) 3.8 0.8 0.8 volume=87835872.125 peak=514 ppm1=3.989 ppm2=8.487

assign ( resid 19 and name HA
	 )
       ( resid 20 and name H
	 ) 4.1 0.8 0.8 volume=61095451.000 peak=515 ppm1=3.988 ppm2=7.807

assign ( resid 80 and name HA
	 )
       ( resid 80 and name H
	 ) 3.2 0.6 0.6 volume=233254876.000 peak=516 ppm1=3.988 ppm2=7.323

assign ( resid 80 and name HA
	 )
       ( resid 81 and name H
	 ) 4.3 0.9 0.9 volume=43058265.562 peak=517 ppm1=3.990 ppm2=8.073

assign ( resid 84 and name HD2
	 )
       ( resid 80 and name HA
	 ) 3.6 0.7 0.7 volume=131979087.000 peak=518 ppm1=6.711 ppm2=3.985

assign ( resid 19 and name HG2
	 )
       ( resid 19 and name HA
	 ) 2.7 0.5 0.5 volume=496917573.000 peak=519 ppm1=2.384 ppm2=3.993

assign ( resid 80 and name HA
	 )
       ( resid 83 and name HB3
	 ) 3.5 0.7 0.7 volume=152208286.500 peak=520 ppm1=3.987 ppm2=1.837

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name HA
	 ) 2.8 0.6 0.6 volume=616667737.000 peak=521 ppm1=2.055 ppm2=3.993

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HB2
	 ) 2.7 0.5 0.5 volume=637054944.000 peak=522 ppm1=3.988 ppm2=1.928

assign ( resid 22 and name HB3
	 )
       ( resid 22 and name HA
	 ) 2.8 0.6 0.6 volume=305287295.500 peak=523 ppm1=2.043 ppm2=3.396

assign ( resid 22 and name HA
	 )
       ( resid 22 and name HB2
	 ) 2.9 0.6 0.6 volume=293231063.000 peak=524 ppm1=3.398 ppm2=1.932

assign ( resid 22 and name HB2
	 )
       ( resid 19 and name HA
	 ) 2.8 0.6 0.6 volume=520685437.000 peak=525 ppm1=1.941 ppm2=3.996

assign ( resid 22 and name HB3
	 )
       ( resid 23 and name H
	 ) 2.9 0.6 0.6 volume=432145725.000 peak=527 ppm1=2.043 ppm2=7.986

assign ( resid 22 and name HB2
	 )
       ( resid 23 and name H
	 ) 2.9 0.6 0.6 volume=459450077.000 peak=528 ppm1=1.936 ppm2=7.985

assign ( resid 19 and name HG2
	 )
       ( resid 20 and name H
	 ) 3.8 0.8 0.8 volume=89161344.500 peak=530 ppm1=2.379 ppm2=7.803

assign ( resid 23 and name HG2
	 )
       ( resid 24 and name H
	 ) 4.1 0.8 0.8 volume=59235480.250 peak=531 ppm1=2.374 ppm2=8.147

assign ( resid 23 and name HG2
	 )
       ( resid 23 and name H
	 ) 3.2 0.6 0.6 volume=275638010.000 peak=532 ppm1=2.383 ppm2=7.975

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HG2
	 ) 2.7 0.5 0.5 volume=782174943.000 peak=533 ppm1=1.913 ppm2=2.386

assign ( resid 19 and name HG2
	 )
       ( resid 19 and name HB3
	 ) 2.6 0.5 0.5 volume=887540347.000 peak=534 ppm1=2.384 ppm2=2.055

assign ( resid 23 and name HB3
	 )
       ( resid 23 and name HG2
	 ) 2.6 0.5 0.5 volume=826369730.000 peak=536 ppm1=2.058 ppm2=2.387

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name HB3
	 ) 2.3 0.5 0.5 volume=1912707984.000 peak=538 ppm1=1.913 ppm2=2.050

assign ( resid 19 and name HB2
	 )
       ( resid 20 and name H
	 ) 3.5 0.7 0.7 volume=148273098.000 peak=541 ppm1=1.918 ppm2=7.808

assign ( resid 19 and name HB3
	 )
       ( resid 19 and name H
	 ) 3.5 0.7 0.7 volume=141905021.750 peak=542 ppm1=2.053 ppm2=8.489

assign ( resid 19 and name HB2
	 )
       ( resid 19 and name H
	 ) 3.6 0.7 0.7 volume=129865215.750 peak=543 ppm1=1.913 ppm2=8.486

assign ( resid 20 and name HA
	 )
       ( resid 21 and name H
	 ) 4.1 0.8 0.8 volume=53896903.688 peak=544 ppm1=4.096 ppm2=9.121

assign ( resid 9 and name HA
	 )
       ( resid 8 and name HB2
	 ) 3.7 0.7 0.7 volume=114034449.000 peak=545 ppm1=4.062 ppm2=2.735

assign ( resid 9 and name HA
	 )
       ( resid 8 and name HB3
	 ) 3.5 0.7 0.7 volume=144006065.000 peak=546 ppm1=4.094 ppm2=2.624

assign ( resid 52 and name HD2
	 )
       ( resid 52 and name HE2
	 ) 2.4 0.5 0.5 volume=1084181836.000 peak=547 ppm1=1.684 ppm2=2.967

assign ( resid 21 and name HB2
	 )
       ( resid 21 and name H
	 ) 3.8 0.8 0.8 volume=89636621.000 peak=551 ppm1=1.644 ppm2=9.149

assign ( resid 21 and name HB2
	 )
       ( resid 22 and name H
	 ) 3.7 0.7 0.7 volume=99971462.000 peak=552 ppm1=1.646 ppm2=7.991

assign ( resid 21 and name HB3
	 )
       ( resid 21 and name H
	 ) 3.7 0.7 0.7 volume=102574735.750 peak=553 ppm1=2.658 ppm2=9.150

assign ( resid 21 and name HB3
	 )
       ( resid 22 and name H
	 ) 3.6 0.7 0.7 volume=121444936.000 peak=554 ppm1=2.660 ppm2=7.988

assign ( resid 21 and name HB2
	 )
       ( resid 95 and name HD2
	 ) 3.6 0.7 0.7 volume=77863006.875 peak=556 ppm1=1.642 ppm2=6.542

assign ( resid 21 and name HB3
	 )
       ( resid 18 and name HA
	 ) 3.5 0.7 0.7 volume=55584806.062 peak=559 ppm1=2.664 ppm2=4.347

assign ( resid 18 and name HA
	 )
       ( resid 21 and name HB2
	 ) 3.9 0.8 0.8 volume=48152948.125 peak=560 ppm1=4.349 ppm2=1.637

assign ( resid 21 and name HB2
	 )
       ( resid 21 and name HB3
	 ) 3.2 0.6 0.6 volume=245118514.500 peak=561 ppm1=1.645 ppm2=2.659

assign ( resid 21 and name HB3
	 )
       ( resid 21 and name HG2
	 ) 3.9 0.8 0.8 volume=80055167.875 peak=563 ppm1=2.656 ppm2=2.891

assign ( resid 21 and name HG3
	 )
       ( resid 21 and name HB3
	 ) 3.9 0.8 0.8 volume=75813328.375 peak=564 ppm1=2.298 ppm2=2.653

assign ( resid 21 and name HB2
	 )
       ( resid 21 and name HG3
	 ) 3.7 0.7 0.7 volume=85787611.375 peak=565 ppm1=1.643 ppm2=2.301

assign ( resid 24 and name HG2#
	 )
       ( resid 21 and name HA
	 ) 3.7 0.7 0.7 volume=61225039.438 peak=567 ppm1=1.034 ppm2=3.729

assign ( resid 21 and name HA
	 )
       ( resid 13 and name HD2#
	 ) 2.7 0.5 0.5 volume=692524324.000 peak=568 ppm1=3.727 ppm2=0.753

assign ( resid 21 and name HA
	 )
       ( resid 21 and name HB2
	 ) 3.3 0.7 0.7 volume=201412427.500 peak=569 ppm1=3.730 ppm2=1.642

assign ( resid 21 and name HA
	 )
       ( resid 20 and name HB3
	 ) 4.1 0.8 0.8 volume=53494493.875 peak=571 ppm1=3.731 ppm2=2.385

assign ( resid 21 and name HA
	 )
       ( resid 20 and name HB2
	 ) 4.0 0.8 0.8 volume=66016820.625 peak=572 ppm1=3.733 ppm2=2.032

assign ( resid 21 and name HG2
	 )
       ( resid 21 and name HA
	 ) 3.6 0.7 0.7 volume=131093677.250 peak=573 ppm1=2.888 ppm2=3.730

assign ( resid 21 and name HB3
	 )
       ( resid 21 and name HA
	 ) 3.8 0.8 0.8 volume=88142020.375 peak=574 ppm1=2.658 ppm2=3.724

assign ( resid 21 and name HA
	 )
       ( resid 20 and name HA
	 ) 3.9 0.8 0.8 volume=71970858.750 peak=576 ppm1=3.724 ppm2=4.081

assign ( resid 21 and name HA
	 )
       ( resid 22 and name H
	 ) 3.8 0.8 0.8 volume=90298343.625 peak=577 ppm1=3.731 ppm2=7.992

assign ( resid 21 and name HA
	 )
       ( resid 24 and name H
	 ) 4.0 0.8 0.8 volume=65905693.125 peak=578 ppm1=3.728 ppm2=8.145

assign ( resid 21 and name HA
	 )
       ( resid 95 and name HD2
	 ) 4.5 0.9 0.9 volume=34185100.656 peak=579 ppm1=3.729 ppm2=6.559

assign ( resid 21 and name HA
	 )
       ( resid 21 and name H
	 ) 3.5 0.7 0.7 volume=139924235.250 peak=580 ppm1=3.730 ppm2=9.150

assign ( resid 21 and name HG3
	 )
       ( resid 21 and name HA
	 ) 3.6 0.7 0.7 volume=102847604.625 peak=582 ppm1=2.296 ppm2=3.730

assign ( resid 21 and name HG3
	 )
       ( resid 21 and name HG2
	 ) 3.3 0.7 0.7 volume=225306003.500 peak=583 ppm1=2.295 ppm2=2.881

assign ( resid 13 and name HA
	 )
       ( resid 21 and name HG3
	 ) 4.0 0.8 0.8 volume=64475586.750 peak=587 ppm1=4.082 ppm2=2.301

assign ( resid 21 and name HG2
	 )
       ( resid 21 and name H
	 ) 3.7 0.7 0.7 volume=115081809.000 peak=588 ppm1=2.886 ppm2=9.157

assign ( resid 21 and name HG3
	 )
       ( resid 21 and name H
	 ) 3.9 0.8 0.8 volume=80550243.500 peak=589 ppm1=2.294 ppm2=9.155

assign ( resid 21 and name HG2
	 )
       ( resid 21 and name HB2
	 ) 3.7 0.7 0.7 volume=110665259.750 peak=590 ppm1=2.888 ppm2=1.624

assign ( resid 63 and name HB2
	 )
       ( resid 63 and name HA
	 ) 2.7 0.5 0.5 volume=723968578.000 peak=592 ppm1=2.032 ppm2=4.085

assign ( resid 20 and name HB3
	 )
       ( resid 20 and name HA
	 ) 3.5 0.7 0.7 volume=137703481.000 peak=593 ppm1=2.394 ppm2=4.106

assign ( resid 63 and name HB2
	 )
       ( resid 36 and name HA
	 ) 3.8 0.8 0.8 volume=92479737.000 peak=594 ppm1=2.032 ppm2=3.901

assign ( resid 63 and name HB2
	 )
       ( resid 62 and name H
	 ) 4.0 0.8 0.8 volume=69200414.000 peak=595 ppm1=2.032 ppm2=7.138

assign ( resid 63 and name HB2
	 )
       ( resid 63 and name H
	 ) 2.9 0.6 0.6 volume=491360561.000 peak=596 ppm1=2.029 ppm2=7.471

assign ( resid 20 and name HB2
	 )
       ( resid 20 and name H
	 ) 3.6 0.7 0.7 volume=135292718.500 peak=597 ppm1=2.038 ppm2=7.802

assign ( resid 20 and name HB3
	 )
       ( resid 20 and name H
	 ) 3.7 0.7 0.7 volume=111965601.250 peak=598 ppm1=2.394 ppm2=7.807

assign ( resid 20 and name HB3
	 )
       ( resid 17 and name H
	 ) 3.8 0.8 0.8 volume=86883008.750 peak=599 ppm1=2.394 ppm2=8.822

assign ( resid 20 and name HB2
	 )
       ( resid 17 and name H
	 ) 3.7 0.7 0.7 volume=111200979.500 peak=600 ppm1=2.036 ppm2=8.828

assign ( resid 20 and name HB3
	 )
       ( resid 21 and name H
	 ) 4.2 0.8 0.8 volume=50439410.000 peak=601 ppm1=2.391 ppm2=9.147

assign ( resid 20 and name HB3
	 )
       ( resid 16 and name HA
	 ) 4.4 0.9 0.9 volume=36824555.938 peak=602 ppm1=2.390 ppm2=4.613

assign ( resid 20 and name HB3
	 )
       ( resid 16 and name HB2
	 ) 3.8 0.8 0.8 volume=75016930.875 peak=603 ppm1=2.393 ppm2=1.813

assign ( resid 20 and name HB3
	 )
       ( resid 16 and name HB3
	 ) 3.5 0.7 0.7 volume=96734005.000 peak=605 ppm1=2.391 ppm2=1.601

assign ( resid 20 and name HB2
	 )
       ( resid 16 and name HB3
	 ) 3.6 0.7 0.7 volume=123906818.500 peak=607 ppm1=2.038 ppm2=1.603

assign ( resid 16 and name HD2#
	 )
       ( resid 20 and name HB3
	 ) 3.0 0.6 0.6 volume=226927507.000 peak=608 ppm1=0.777 ppm2=2.391

assign ( resid 20 and name HB2
	 )
       ( resid 16 and name HD2#
	 ) 3.0 0.6 0.6 volume=375565912.000 peak=609 ppm1=2.036 ppm2=0.769

assign ( resid 20 and name HG3
	 )
       ( resid 20 and name HB2
	 ) 2.9 0.6 0.6 volume=488031237.000 peak=610 ppm1=2.408 ppm2=2.039

assign ( resid 20 and name HG3
	 )
       ( resid 16 and name HD2#
	 ) 3.3 0.7 0.7 volume=229324492.000 peak=611 ppm1=2.406 ppm2=0.769

assign ( resid 20 and name HG3
	 )
       ( resid 20 and name HA
	 ) 3.0 0.6 0.6 volume=365298748.000 peak=612 ppm1=2.402 ppm2=4.103

assign ( resid 20 and name HG3
	 )
       ( resid 20 and name H
	 ) 3.2 0.6 0.6 volume=238696667.500 peak=613 ppm1=2.402 ppm2=7.805

assign ( resid 20 and name HB2
	 )
       ( resid 20 and name HB3
	 ) 2.6 0.5 0.5 volume=916046346.000 peak=614 ppm1=2.034 ppm2=2.403

assign ( resid 22 and name HA
	 )
       ( resid 26 and name H
	 ) 4.1 0.8 0.8 volume=54974353.750 peak=615 ppm1=3.399 ppm2=9.007

assign ( resid 22 and name HA
	 )
       ( resid 23 and name H
	 ) 3.1 0.6 0.6 volume=304741312.000 peak=616 ppm1=3.398 ppm2=7.985

assign ( resid 22 and name HA
	 )
       ( resid 25 and name HA
	 ) 4.1 0.8 0.8 volume=58650480.375 peak=618 ppm1=3.400 ppm2=4.066

assign ( resid 22 and name HA
	 )
       ( resid 21 and name HA
	 ) 4.3 0.9 0.9 volume=41133792.750 peak=619 ppm1=3.399 ppm2=3.755

assign ( resid 22 and name HA
	 )
       ( resid 25 and name HB3
	 ) 3.8 0.8 0.8 volume=96969447.500 peak=623 ppm1=3.401 ppm2=1.251

assign ( resid 22 and name HA
	 )
       ( resid 91 and name HG2#
	 ) 3.3 0.7 0.7 volume=203505083.000 peak=624 ppm1=3.399 ppm2=1.012

assign ( resid 22 and name HA
	 )
       ( resid 25 and name HD1#
	 ) 3.2 0.6 0.6 volume=234947672.000 peak=625 ppm1=3.398 ppm2=0.780

assign ( resid 26 and name HB#
	 )
       ( resid 22 and name HA
	 ) 3.8 0.8 0.8 volume=54803851.562 peak=626 ppm1=1.507 ppm2=3.415

assign ( resid 42 and name HG2
	 )
       ( resid 43 and name H
	 ) 4.1 0.8 0.8 volume=54095309.625 peak=627 ppm1=1.939 ppm2=9.000

assign ( resid 25 and name HG
	 )
       ( resid 26 and name H
	 ) 4.2 0.8 0.8 volume=49548112.500 peak=628 ppm1=1.789 ppm2=9.007

assign ( resid 25 and name HG
	 )
       ( resid 25 and name H
	 ) 3.2 0.6 0.6 volume=264088353.000 peak=629 ppm1=1.786 ppm2=7.876

assign ( resid 59 and name HG
	 )
       ( resid 60 and name H
	 ) 3.8 0.8 0.8 volume=87949034.000 peak=630 ppm1=1.658 ppm2=8.844

assign ( resid 28 and name HG
	 )
       ( resid 29 and name H
	 ) 3.9 0.8 0.8 volume=76092828.625 peak=631 ppm1=1.615 ppm2=8.733

assign ( resid 42 and name HG3
	 )
       ( resid 43 and name H
	 ) 4.1 0.8 0.8 volume=54391321.625 peak=632 ppm1=2.063 ppm2=8.990

assign ( resid 22 and name HB3
	 )
       ( resid 19 and name HA
	 ) 3.2 0.6 0.6 volume=258216879.500 peak=635 ppm1=2.044 ppm2=3.997

assign ( resid 22 and name HB3
	 )
       ( resid 22 and name HB2
	 ) 2.0 0.3 0.4 volume=4130029112.000 peak=636 ppm1=2.043 ppm2=1.934

assign ( resid 22 and name HG2
	 )
       ( resid 22 and name HB3
	 ) 2.2 0.4 0.4 volume=481667450.000 peak=638 ppm1=1.802 ppm2=2.027

assign ( resid 22 and name HG2
	 )
       ( resid 22 and name HB2
	 ) 2.8 0.6 0.6 volume=511072892.000 peak=639 ppm1=1.802 ppm2=1.930

assign ( resid 22 and name HG3
	 )
       ( resid 22 and name HG2
	 ) 2.3 0.5 0.5 volume=1846552096.000 peak=640 ppm1=2.023 ppm2=1.802

assign ( resid 22 and name HG3
	 )
       ( resid 22 and name HB2
	 ) 2.9 0.6 0.6 volume=505138527.000 peak=643 ppm1=2.023 ppm2=1.927

assign ( resid 22 and name HG3
	 )
       ( resid 95 and name HB2
	 ) 4.5 0.9 0.9 volume=34241654.062 peak=644 ppm1=2.024 ppm2=2.909

assign ( resid 22 and name HG2
	 )
       ( resid 95 and name HB2
	 ) 4.1 0.8 0.8 volume=55073006.375 peak=645 ppm1=1.803 ppm2=2.894

assign ( resid 22 and name HG3
	 )
       ( resid 22 and name HA
	 ) 3.2 0.6 0.6 volume=254706045.500 peak=646 ppm1=2.023 ppm2=3.396

assign ( resid 22 and name HG2
	 )
       ( resid 22 and name HA
	 ) 3.1 0.6 0.6 volume=294877057.000 peak=647 ppm1=1.802 ppm2=3.396

assign ( resid 22 and name HG3
	 )
       ( resid 19 and name HA
	 ) 3.8 0.8 0.8 volume=89062382.250 peak=648 ppm1=2.023 ppm2=3.992

assign ( resid 22 and name HG2
	 )
       ( resid 19 and name HA
	 ) 4.0 0.8 0.8 volume=64272121.875 peak=649 ppm1=1.801 ppm2=3.995

assign ( resid 22 and name HG3
	 )
       ( resid 23 and name H
	 ) 3.1 0.6 0.6 volume=325780748.500 peak=650 ppm1=2.024 ppm2=7.986

assign ( resid 22 and name HG2
	 )
       ( resid 23 and name H
	 ) 3.3 0.7 0.7 volume=224961974.500 peak=651 ppm1=1.802 ppm2=7.985

assign ( resid 23 and name HA
	 )
       ( resid 24 and name H
	 ) 3.6 0.7 0.7 volume=128230409.250 peak=652 ppm1=4.033 ppm2=8.148

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HG2
	 ) 3.2 0.6 0.6 volume=266784993.500 peak=653 ppm1=4.030 ppm2=2.382

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HG3
	 ) 3.1 0.6 0.6 volume=212871929.250 peak=654 ppm1=4.030 ppm2=2.450

assign ( resid 23 and name HA
	 )
       ( resid 23 and name HB2
	 ) 2.8 0.6 0.6 volume=552485445.000 peak=655 ppm1=4.029 ppm2=2.106

assign ( resid 23 and name HA
	 )
       ( resid 26 and name HB#
	 ) 2.7 0.5 0.5 volume=657400782.000 peak=656 ppm1=4.029 ppm2=1.505

assign ( resid 23 and name HA
	 )
       ( resid 91 and name HG2#
	 ) 4.4 0.9 0.9 volume=38856989.984 peak=657 ppm1=4.030 ppm2=1.020

assign ( resid 23 and name HB2
	 )
       ( resid 23 and name HG2
	 ) 2.8 0.6 0.6 volume=525610452.000 peak=658 ppm1=2.129 ppm2=2.399

assign ( resid 23 and name HB3
	 )
       ( resid 23 and name HA
	 ) 2.9 0.6 0.6 volume=495999799.000 peak=660 ppm1=2.080 ppm2=4.032

assign ( resid 26 and name HB#
	 )
       ( resid 23 and name HB3
	 ) 3.4 0.7 0.7 volume=65005269.875 peak=661 ppm1=1.506 ppm2=2.109

assign ( resid 23 and name HB3
	 )
       ( resid 24 and name H
	 ) 3.5 0.7 0.7 volume=160699154.250 peak=663 ppm1=2.081 ppm2=8.139

assign ( resid 23 and name HB3
	 )
       ( resid 23 and name H
	 ) 2.9 0.6 0.6 volume=467856380.000 peak=664 ppm1=2.081 ppm2=7.975

assign ( resid 23 and name HB2
	 )
       ( resid 24 and name H
	 ) 3.5 0.7 0.7 volume=157740285.750 peak=665 ppm1=2.131 ppm2=8.138

assign ( resid 23 and name HB2
	 )
       ( resid 23 and name H
	 ) 2.9 0.6 0.6 volume=435312524.000 peak=666 ppm1=2.132 ppm2=7.975

assign ( resid 23 and name HB3
	 )
       ( resid 20 and name HA
	 ) 3.0 0.6 0.6 volume=372964725.000 peak=667 ppm1=2.081 ppm2=4.091

assign ( resid 23 and name HB2
	 )
       ( resid 20 and name HA
	 ) 3.1 0.6 0.6 volume=297619821.000 peak=668 ppm1=2.131 ppm2=4.093

assign ( resid 23 and name HG3
	 )
       ( resid 23 and name HG2
	 ) 1.9 0.2 0.4 volume=6308275792.000 peak=670 ppm1=2.453 ppm2=2.383

assign ( resid 23 and name HG3
	 )
       ( resid 20 and name HA
	 ) 3.8 0.8 0.8 volume=85985734.688 peak=671 ppm1=2.450 ppm2=4.107

assign ( resid 23 and name HG2
	 )
       ( resid 20 and name HA
	 ) 3.7 0.7 0.7 volume=103325837.492 peak=672 ppm1=2.382 ppm2=4.106

assign ( resid 23 and name HG3
	 )
       ( resid 23 and name H
	 ) 3.3 0.7 0.7 volume=219780188.750 peak=673 ppm1=2.452 ppm2=7.975

assign ( resid 23 and name HG3
	 )
       ( resid 24 and name H
	 ) 4.2 0.8 0.8 volume=52052306.625 peak=674 ppm1=2.451 ppm2=8.143

assign ( resid 24 and name HA
	 )
       ( resid 24 and name H
	 ) 3.2 0.6 0.6 volume=266035404.500 peak=675 ppm1=3.893 ppm2=8.148

assign ( resid 24 and name HA
	 )
       ( resid 28 and name H
	 ) 4.3 0.9 0.9 volume=44462207.625 peak=676 ppm1=3.892 ppm2=7.470

assign ( resid 24 and name HA
	 )
       ( resid 26 and name H
	 ) 4.4 0.9 0.9 volume=35105719.000 peak=677 ppm1=3.892 ppm2=9.024

assign ( resid 24 and name HA
	 )
       ( resid 27 and name HB
	 ) 3.2 0.6 0.6 volume=261812588.500 peak=678 ppm1=3.891 ppm2=4.240

assign ( resid 24 and name HB
	 )
       ( resid 24 and name HA
	 ) 3.2 0.6 0.6 volume=241112378.500 peak=679 ppm1=4.199 ppm2=3.899

assign ( resid 24 and name HA
	 )
       ( resid 23 and name HB3
	 ) 4.2 0.8 0.8 volume=50596375.250 peak=680 ppm1=3.894 ppm2=2.104

assign ( resid 24 and name HA
	 )
       ( resid 28 and name HB2
	 ) 4.4 0.9 0.9 volume=35961373.188 peak=681 ppm1=3.893 ppm2=1.925

assign ( resid 24 and name HA
	 )
       ( resid 13 and name HD2#
	 ) 3.8 0.8 0.8 volume=96302305.875 peak=682 ppm1=3.893 ppm2=0.761

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HG2#
	 ) 2.7 0.5 0.5 volume=674698222.000 peak=683 ppm1=3.892 ppm2=1.034

assign ( resid 24 and name HA
	 )
       ( resid 27 and name HG2#
	 ) 3.5 0.7 0.7 volume=137415420.500 peak=684 ppm1=3.890 ppm2=1.247

assign ( resid 96 and name HB
	 )
       ( resid 96 and name H
	 ) 2.9 0.6 0.6 volume=418655956.000 peak=685 ppm1=4.166 ppm2=8.230

assign ( resid 27 and name HB
	 )
       ( resid 27 and name H
	 ) 2.7 0.5 0.5 volume=639704658.000 peak=686 ppm1=4.253 ppm2=8.169

assign ( resid 24 and name HB
	 )
       ( resid 24 and name H
	 ) 3.0 0.6 0.6 volume=346073995.000 peak=687 ppm1=4.195 ppm2=8.137

assign ( resid 35 and name HB
	 )
       ( resid 35 and name H
	 ) 2.9 0.6 0.6 volume=443281589.000 peak=688 ppm1=4.291 ppm2=8.057

assign ( resid 96 and name HB
	 )
       ( resid 97 and name H
	 ) 3.1 0.6 0.6 volume=314566252.500 peak=689 ppm1=4.167 ppm2=7.769

assign ( resid 35 and name HB
	 )
       ( resid 36 and name H
	 ) 3.0 0.6 0.6 volume=342843785.500 peak=690 ppm1=4.290 ppm2=7.771

assign ( resid 27 and name HB
	 )
       ( resid 26 and name H
	 ) 4.2 0.8 0.8 volume=50901390.062 peak=691 ppm1=4.199 ppm2=9.009

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HB
	 ) 3.5 0.7 0.7 volume=158844727.250 peak=693 ppm1=3.729 ppm2=4.183

assign ( resid 24 and name HB
	 )
       ( resid 25 and name HB2
	 ) 3.9 0.8 0.8 volume=83138013.000 peak=694 ppm1=4.196 ppm2=1.935

assign ( resid 24 and name HB
	 )
       ( resid 23 and name HB3
	 ) 4.1 0.8 0.8 volume=54741421.750 peak=695 ppm1=4.203 ppm2=2.096

assign ( resid 24 and name HB
	 )
       ( resid 13 and name HD2#
	 ) 2.8 0.6 0.6 volume=542609597.000 peak=697 ppm1=4.196 ppm2=0.753

assign ( resid 24 and name HG2#
	 )
       ( resid 9 and name HD1#
	 ) 2.6 0.5 0.5 volume=968441902.000 peak=698 ppm1=1.036 ppm2=0.813

assign ( resid 24 and name HG2#
	 )
       ( resid 25 and name HB2
	 ) 3.3 0.7 0.7 volume=229943427.500 peak=699 ppm1=1.034 ppm2=1.946

assign ( resid 24 and name HG2#
	 )
       ( resid 12 and name HG3
	 ) 3.3 0.7 0.7 volume=199836021.000 peak=700 ppm1=1.035 ppm2=1.780

assign ( resid 24 and name HG2#
	 )
       ( resid 28 and name HG
	 ) 3.6 0.7 0.7 volume=118615631.875 peak=701 ppm1=1.035 ppm2=1.617

assign ( resid 24 and name HG2#
	 )
       ( resid 9 and name HG
	 ) 4.0 0.8 0.8 volume=65823182.129 peak=702 ppm1=1.036 ppm2=1.481

assign ( resid 24 and name HG2#
	 )
       ( resid 24 and name HB
	 ) 2.7 0.5 0.5 volume=756616764.000 peak=705 ppm1=1.034 ppm2=4.195

assign ( resid 24 and name HG2#
	 )
       ( resid 25 and name HA
	 ) 3.2 0.6 0.6 volume=264719027.000 peak=706 ppm1=1.035 ppm2=4.073

assign ( resid 24 and name HG2#
	 )
       ( resid 24 and name H
	 ) 3.3 0.7 0.7 volume=229578469.250 peak=707 ppm1=1.034 ppm2=8.140

assign ( resid 24 and name HG2#
	 )
       ( resid 28 and name H
	 ) 4.0 0.8 0.8 volume=62942893.438 peak=708 ppm1=1.036 ppm2=7.487

assign ( resid 24 and name HG2#
	 )
       ( resid 29 and name H
	 ) 4.6 0.9 0.9 volume=28977211.473 peak=709 ppm1=1.035 ppm2=8.746

assign ( resid 25 and name HA
	 )
       ( resid 26 and name H
	 ) 4.0 0.8 0.8 volume=70515839.500 peak=710 ppm1=4.073 ppm2=9.009

assign ( resid 25 and name HA
	 )
       ( resid 29 and name H
	 ) 4.1 0.8 0.8 volume=53540506.500 peak=711 ppm1=4.073 ppm2=8.735

assign ( resid 25 and name HA
	 )
       ( resid 24 and name HB
	 ) 3.9 0.8 0.8 volume=81900220.500 peak=712 ppm1=4.073 ppm2=4.195

assign ( resid 62 and name HA
	 )
       ( resid 61 and name HA
	 ) 4.1 0.8 0.8 volume=56946512.312 peak=713 ppm1=4.081 ppm2=3.629

assign ( resid 62 and name HA
	 )
       ( resid 65 and name HB2
	 ) 3.3 0.7 0.7 volume=210692549.500 peak=714 ppm1=4.083 ppm2=2.048

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HD1#
	 ) 2.7 0.5 0.5 volume=534236094.000 peak=717 ppm1=4.081 ppm2=0.977

assign ( resid 25 and name HB3
	 )
       ( resid 25 and name HA
	 ) 3.3 0.7 0.7 volume=185514025.500 peak=719 ppm1=1.249 ppm2=4.073

assign ( resid 25 and name HB3
	 )
       ( resid 26 and name H
	 ) 3.9 0.8 0.8 volume=82792452.375 peak=720 ppm1=1.251 ppm2=9.008

assign ( resid 25 and name HB2
	 )
       ( resid 25 and name HB3
	 ) 2.9 0.6 0.6 volume=456274129.000 peak=721 ppm1=1.928 ppm2=1.255

assign ( resid 25 and name HB2
	 )
       ( resid 29 and name HG1#
	 ) 3.1 0.6 0.6 volume=335871469.000 peak=722 ppm1=1.928 ppm2=1.010

assign ( resid 25 and name HB3
	 )
       ( resid 25 and name HD1#
	 ) 2.8 0.6 0.6 volume=540436244.000 peak=723 ppm1=1.252 ppm2=0.773

assign ( resid 28 and name HD2#
	 )
       ( resid 32 and name H
	 ) 3.8 0.8 0.8 volume=84575347.531 peak=724 ppm1=0.799 ppm2=8.253

assign ( resid 28 and name HD2#
	 )
       ( resid 28 and name H
	 ) 3.6 0.7 0.7 volume=128402018.562 peak=725 ppm1=0.806 ppm2=7.480

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name H
	 ) 3.6 0.7 0.7 volume=119949258.875 peak=726 ppm1=0.691 ppm2=7.472

assign ( resid 28 and name HD1#
	 )
       ( resid 29 and name H
	 ) 3.6 0.7 0.7 volume=116271428.750 peak=727 ppm1=0.690 ppm2=8.734

assign ( resid 28 and name HD1#
	 )
       ( resid 32 and name H
	 ) 4.3 0.9 0.9 volume=44637565.000 peak=728 ppm1=0.691 ppm2=8.284

assign ( resid 28 and name HD1#
	 )
       ( resid 25 and name HA
	 ) 3.0 0.6 0.6 volume=347648039.000 peak=730 ppm1=0.689 ppm2=4.076

assign ( resid 28 and name HD1#
	 )
       ( resid 29 and name HA
	 ) 3.4 0.7 0.7 volume=189368180.750 peak=731 ppm1=0.690 ppm2=3.448

assign ( resid 28 and name HD1#
	 )
       ( resid 71 and name HB3
	 ) 3.3 0.7 0.7 volume=215474098.250 peak=732 ppm1=0.689 ppm2=2.748

assign ( resid 28 and name HD1#
	 )
       ( resid 71 and name HB2
	 ) 3.3 0.7 0.7 volume=192990244.250 peak=733 ppm1=0.690 ppm2=2.622

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name HB2
	 ) 2.8 0.6 0.6 volume=529580980.000 peak=734 ppm1=0.689 ppm2=1.926

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name HG
	 ) 3.2 0.6 0.6 volume=277770490.000 peak=736 ppm1=0.690 ppm2=1.617

assign ( resid 28 and name HD1#
	 )
       ( resid 25 and name HB3
	 ) 3.8 0.8 0.8 volume=96553894.000 peak=737 ppm1=0.690 ppm2=1.235

assign ( resid 32 and name HA
	 )
       ( resid 32 and name H
	 ) 3.1 0.6 0.6 volume=302520896.500 peak=738 ppm1=4.098 ppm2=8.265

assign ( resid 32 and name HA
	 )
       ( resid 35 and name H
	 ) 3.7 0.7 0.7 volume=103414037.000 peak=739 ppm1=4.098 ppm2=8.059

assign ( resid 32 and name HA
	 )
       ( resid 34 and name H
	 ) 3.3 0.7 0.7 volume=199745812.000 peak=740 ppm1=4.088 ppm2=8.364

assign ( resid 11 and name HA
	 )
       ( resid 11 and name H
	 ) 2.9 0.6 0.6 volume=154858884.000 peak=741 ppm1=4.090 ppm2=7.811

assign ( resid 26 and name HA
	 )
       ( resid 29 and name H
	 ) 3.6 0.7 0.7 volume=91466169.250 peak=742 ppm1=4.088 ppm2=8.757

assign ( resid 26 and name HA
	 )
       ( resid 26 and name H
	 ) 3.1 0.6 0.6 volume=34605885.219 peak=743 ppm1=4.159 ppm2=9.009

assign ( resid 32 and name HA
	 )
       ( resid 35 and name HG2#
	 ) 3.0 0.6 0.6 volume=403286049.000 peak=746 ppm1=4.098 ppm2=1.229

assign ( resid 26 and name HB#
	 )
       ( resid 26 and name H
	 ) 2.5 0.5 0.5 volume=1128618914.000 peak=747 ppm1=1.506 ppm2=9.008

assign ( resid 26 and name HB#
	 )
       ( resid 27 and name H
	 ) 2.8 0.6 0.6 volume=561775306.000 peak=748 ppm1=1.506 ppm2=8.169

assign ( resid 26 and name HB#
	 )
       ( resid 23 and name H
	 ) 3.8 0.8 0.8 volume=91164752.500 peak=749 ppm1=1.506 ppm2=7.974

assign ( resid 26 and name HB#
	 )
       ( resid 25 and name H
	 ) 3.7 0.7 0.7 volume=110468520.750 peak=750 ppm1=1.506 ppm2=7.876

assign ( resid 26 and name HB#
	 )
       ( resid 28 and name H
	 ) 3.8 0.8 0.8 volume=89361289.500 peak=751 ppm1=1.507 ppm2=7.470

assign ( resid 26 and name HB#
	 )
       ( resid 26 and name HA
	 ) 2.4 0.5 0.5 volume=1362024070.000 peak=752 ppm1=1.506 ppm2=4.158

assign ( resid 26 and name HB#
	 )
       ( resid 23 and name HG3
	 ) 3.9 0.8 0.8 volume=77528696.250 peak=754 ppm1=1.505 ppm2=2.437

assign ( resid 26 and name HB#
	 )
       ( resid 23 and name HG2
	 ) 3.7 0.7 0.7 volume=104421154.500 peak=755 ppm1=1.506 ppm2=2.361

assign ( resid 26 and name HB#
	 )
       ( resid 22 and name HB3
	 ) 3.5 0.7 0.7 volume=149345125.500 peak=757 ppm1=1.506 ppm2=2.034

assign ( resid 26 and name HB#
	 )
       ( resid 22 and name HB2
	 ) 3.3 0.7 0.7 volume=198897785.500 peak=758 ppm1=1.507 ppm2=1.941

assign ( resid 29 and name HB
	 )
       ( resid 26 and name HB#
	 ) 3.5 0.7 0.7 volume=152956515.000 peak=759 ppm1=2.191 ppm2=1.503

assign ( resid 26 and name HB#
	 )
       ( resid 25 and name HD1#
	 ) 4.1 0.8 0.8 volume=57501467.500 peak=760 ppm1=1.507 ppm2=0.807

assign ( resid 27 and name HA
	 )
       ( resid 30 and name HB#
	 ) 2.9 0.6 0.6 volume=477856092.000 peak=761 ppm1=3.945 ppm2=1.589

assign ( resid 27 and name HA
	 )
       ( resid 31 and name HB#
	 ) 3.7 0.7 0.7 volume=109537449.625 peak=762 ppm1=3.945 ppm2=1.490

assign ( resid 27 and name HG2#
	 )
       ( resid 27 and name HA
	 ) 2.6 0.5 0.5 volume=701447212.000 peak=763 ppm1=1.254 ppm2=3.941

assign ( resid 27 and name HA
	 )
       ( resid 26 and name HA
	 ) 4.1 0.8 0.8 volume=58053502.938 peak=764 ppm1=3.947 ppm2=4.144

assign ( resid 27 and name HA
	 )
       ( resid 27 and name HB
	 ) 2.8 0.6 0.6 volume=266850698.500 peak=765 ppm1=3.945 ppm2=4.249

assign ( resid 27 and name HA
	 )
       ( resid 28 and name H
	 ) 3.7 0.7 0.7 volume=112231831.125 peak=766 ppm1=3.945 ppm2=7.472

assign ( resid 27 and name HA
	 )
       ( resid 27 and name H
	 ) 3.1 0.6 0.6 volume=291162994.000 peak=767 ppm1=3.946 ppm2=8.173

assign ( resid 27 and name HA
	 )
       ( resid 29 and name H
	 ) 4.4 0.9 0.9 volume=37853971.688 peak=768 ppm1=3.949 ppm2=8.731

assign ( resid 27 and name HA
	 )
       ( resid 30 and name H
	 ) 3.6 0.7 0.7 volume=122933951.500 peak=769 ppm1=3.946 ppm2=8.637

assign ( resid 27 and name HA
	 )
       ( resid 31 and name H
	 ) 4.0 0.8 0.8 volume=68378620.250 peak=770 ppm1=3.949 ppm2=8.525

assign ( resid 27 and name HB
	 )
       ( resid 29 and name H
	 ) 4.4 0.9 0.9 volume=35275925.906 peak=771 ppm1=4.252 ppm2=8.721

assign ( resid 27 and name HB
	 )
       ( resid 28 and name H
	 ) 3.0 0.6 0.6 volume=339319893.000 peak=772 ppm1=4.254 ppm2=7.473

assign ( resid 7 and name HB
	 )
       ( resid 10 and name HB#
	 or resid 11 and name HB#
	 ) 3.4 0.7 0.7 volume=173491722.500 peak=774 ppm1=4.243 ppm2=1.471

assign ( resid 67 and name HB
	 )
       ( resid 32 and name HB#
	 ) 3.1 0.6 0.6 volume=283485522.000 peak=775 ppm1=4.234 ppm2=1.365

assign ( resid 27 and name HB
	 )
       ( resid 27 and name HG2#
	 ) 2.3 0.5 0.5 volume=1799416492.000 peak=776 ppm1=4.255 ppm2=1.247

assign ( resid 27 and name HG2#
	 )
       ( resid 27 and name H
	 ) 3.0 0.6 0.6 volume=354040579.000 peak=777 ppm1=1.253 ppm2=8.169

assign ( resid 27 and name HG2#
	 )
       ( resid 31 and name H
	 ) 3.4 0.7 0.7 volume=184354011.750 peak=778 ppm1=1.250 ppm2=8.524

assign ( resid 27 and name HG2#
	 )
       ( resid 30 and name H
	 ) 4.5 0.9 0.9 volume=34515586.316 peak=779 ppm1=1.253 ppm2=8.629

assign ( resid 27 and name HG2#
	 )
       ( resid 28 and name H
	 ) 3.3 0.7 0.7 volume=220192766.750 peak=780 ppm1=1.254 ppm2=7.476

assign ( resid 27 and name HG2#
	 )
       ( resid 42 and name HB3
	 ) 3.6 0.7 0.7 volume=120230645.375 peak=783 ppm1=1.257 ppm2=2.034

assign ( resid 27 and name HG2#
	 )
       ( resid 28 and name HB2
	 ) 3.6 0.7 0.7 volume=132005251.000 peak=784 ppm1=1.253 ppm2=1.930

assign ( resid 67 and name HG2#
	 )
       ( resid 28 and name HD2#
	 ) 3.0 0.6 0.6 volume=372449857.000 peak=785 ppm1=1.259 ppm2=0.811

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HD1#
	 ) 3.4 0.7 0.7 volume=169070309.500 peak=787 ppm1=4.167 ppm2=0.691

assign ( resid 28 and name HA
	 )
       ( resid 31 and name HB#
	 ) 2.9 0.6 0.6 volume=431018445.000 peak=789 ppm1=4.168 ppm2=1.481

assign ( resid 28 and name HA
	 )
       ( resid 32 and name HB#
	 ) 4.8 1.0 1.0 volume=23256482.355 peak=790 ppm1=4.165 ppm2=1.363

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HB2
	 ) 3.1 0.6 0.6 volume=328052443.500 peak=791 ppm1=4.168 ppm2=1.927

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HA
	 ) 2.9 0.6 0.6 volume=479202683.000 peak=792 ppm1=1.727 ppm2=4.165

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HG
	 ) 3.0 0.6 0.6 volume=314211456.000 peak=793 ppm1=4.167 ppm2=1.611

assign ( resid 28 and name HA
	 )
       ( resid 28 and name H
	 ) 3.1 0.6 0.6 volume=289434915.000 peak=794 ppm1=4.167 ppm2=7.475

assign ( resid 28 and name HA
	 )
       ( resid 32 and name H
	 ) 4.1 0.8 0.8 volume=56741450.062 peak=795 ppm1=4.163 ppm2=8.256

assign ( resid 28 and name HA
	 )
       ( resid 29 and name H
	 ) 3.8 0.8 0.8 volume=93407005.125 peak=796 ppm1=4.169 ppm2=8.730

assign ( resid 28 and name HA
	 )
       ( resid 31 and name H
	 ) 3.7 0.7 0.7 volume=104646158.125 peak=797 ppm1=4.166 ppm2=8.523

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HB2
	 ) 2.6 0.5 0.5 volume=921275696.000 peak=799 ppm1=1.727 ppm2=1.926

assign ( resid 28 and name HB2
	 )
       ( resid 29 and name HB
	 ) 4.3 0.9 0.9 volume=43511056.688 peak=800 ppm1=1.930 ppm2=2.199

assign ( resid 25 and name HB2
	 )
       ( resid 22 and name HA
	 ) 3.7 0.7 0.7 volume=113009767.500 peak=801 ppm1=1.926 ppm2=3.415

assign ( resid 28 and name HB3
	 )
       ( resid 25 and name HA
	 ) 3.4 0.7 0.7 volume=177366651.000 peak=804 ppm1=1.728 ppm2=4.069

assign ( resid 28 and name HB2
	 )
       ( resid 28 and name H
	 ) 3.0 0.6 0.6 volume=362051658.500 peak=805 ppm1=1.926 ppm2=7.476

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name H
	 ) 3.0 0.6 0.6 volume=359471496.500 peak=806 ppm1=1.727 ppm2=7.473

assign ( resid 28 and name HB2
	 )
       ( resid 29 and name H
	 ) 3.4 0.7 0.7 volume=189448000.000 peak=807 ppm1=1.927 ppm2=8.733

assign ( resid 28 and name HG
	 )
       ( resid 28 and name HB3
	 ) 2.8 0.6 0.6 volume=385543123.000 peak=809 ppm1=1.616 ppm2=1.732

assign ( resid 28 and name HB2
	 )
       ( resid 31 and name HB#
	 ) 3.7 0.7 0.7 volume=98604306.375 peak=810 ppm1=1.926 ppm2=1.490

assign ( resid 28 and name HB3
	 )
       ( resid 25 and name HB3
	 ) 4.2 0.8 0.8 volume=52115989.250 peak=811 ppm1=1.726 ppm2=1.246

assign ( resid 28 and name HB3
	 )
       ( resid 29 and name HG2#
	 ) 3.8 0.8 0.8 volume=83980431.625 peak=812 ppm1=1.725 ppm2=1.012

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HD2#
	 ) 2.8 0.6 0.6 volume=357867701.500 peak=813 ppm1=1.727 ppm2=0.802

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HD1#
	 ) 3.0 0.6 0.6 volume=296493632.000 peak=814 ppm1=1.727 ppm2=0.694

assign ( resid 45 and name HG12
	 )
       ( resid 45 and name HA
	 ) 3.4 0.7 0.7 volume=181917936.750 peak=816 ppm1=1.615 ppm2=3.952

assign ( resid 28 and name HG
	 )
       ( resid 28 and name H
	 ) 3.4 0.7 0.7 volume=185784995.000 peak=817 ppm1=1.616 ppm2=7.490

assign ( resid 28 and name HG
	 )
       ( resid 27 and name H
	 ) 4.2 0.8 0.8 volume=46961554.188 peak=818 ppm1=1.623 ppm2=8.167

assign ( resid 28 and name HG
	 )
       ( resid 25 and name HA
	 ) 3.8 0.8 0.8 volume=93717592.250 peak=819 ppm1=1.619 ppm2=4.067

assign ( resid 28 and name HG
	 )
       ( resid 29 and name HA
	 ) 4.1 0.8 0.8 volume=59895836.406 peak=820 ppm1=1.612 ppm2=3.441

assign ( resid 28 and name HB2
	 )
       ( resid 28 and name HG
	 ) 2.9 0.6 0.6 volume=418709718.000 peak=823 ppm1=1.926 ppm2=1.613

assign ( resid 45 and name HG12
	 )
       ( resid 45 and name HG13
	 ) 2.7 0.5 0.5 volume=688931568.000 peak=825 ppm1=1.614 ppm2=1.394

assign ( resid 45 and name HG12
	 )
       ( resid 41 and name HG2#
	 ) 4.0 0.8 0.8 volume=68082120.375 peak=826 ppm1=1.616 ppm2=1.176

assign ( resid 45 and name HG2#
	 )
       ( resid 45 and name HG12
	 ) 2.6 0.5 0.5 volume=778447677.000 peak=827 ppm1=0.713 ppm2=1.602

assign ( resid 54 and name HG
	 )
       ( resid 54 and name HA
	 ) 3.7 0.7 0.7 volume=99458470.000 peak=828 ppm1=1.630 ppm2=4.316

assign ( resid 54 and name HG
	 )
       ( resid 51 and name HA
	 ) 4.0 0.8 0.8 volume=70519929.500 peak=829 ppm1=1.628 ppm2=4.106

assign ( resid 54 and name HD2#
	 )
       ( resid 51 and name HD#
	 ) 3.3 0.7 0.7 volume=212807814.250 peak=830 ppm1=0.706 ppm2=7.083

assign ( resid 28 and name HD2#
	 )
       ( resid 28 and name HB2
	 ) 2.6 0.5 0.5 volume=810507999.000 peak=831 ppm1=0.801 ppm2=1.918

assign ( resid 28 and name HA
	 )
       ( resid 28 and name HD2#
	 ) 2.8 0.6 0.6 volume=572445642.000 peak=832 ppm1=4.168 ppm2=0.807

assign ( resid 28 and name HD2#
	 )
       ( resid 33 and name H
	 ) 3.5 0.7 0.7 volume=136844512.250 peak=833 ppm1=0.808 ppm2=8.157

assign ( resid 28 and name HD2#
	 )
       ( resid 32 and name HA
	 ) 2.9 0.6 0.6 volume=445282963.000 peak=834 ppm1=0.803 ppm2=4.089

assign ( resid 28 and name HD2#
	 )
       ( resid 71 and name HB3
	 ) 3.3 0.7 0.7 volume=203259377.875 peak=835 ppm1=0.806 ppm2=2.741

assign ( resid 28 and name HD2#
	 )
       ( resid 71 and name HB2
	 ) 3.5 0.7 0.7 volume=153047165.125 peak=836 ppm1=0.803 ppm2=2.622

assign ( resid 31 and name HB#
	 )
       ( resid 28 and name HD2#
	 ) 2.7 0.5 0.5 volume=774471469.000 peak=838 ppm1=1.476 ppm2=0.799

assign ( resid 28 and name HD2#
	 )
       ( resid 29 and name H
	 ) 4.1 0.8 0.8 volume=57396526.836 peak=839 ppm1=0.805 ppm2=8.726

assign ( resid 29 and name HB
	 )
       ( resid 28 and name HD1#
	 ) 3.5 0.7 0.7 volume=54636091.469 peak=840 ppm1=2.197 ppm2=0.705

assign ( resid 28 and name HD2#
	 )
       ( resid 29 and name HB
	 ) 3.9 0.8 0.8 volume=76375700.375 peak=841 ppm1=0.810 ppm2=2.213

assign ( resid 28 and name HD1#
	 )
       ( resid 28 and name HD2#
	 ) 2.3 0.5 0.5 volume=1835593384.000 peak=842 ppm1=0.689 ppm2=0.811

assign ( resid 29 and name HA
	 )
       ( resid 29 and name HG2#
	 ) 2.7 0.5 0.5 volume=744645994.000 peak=844 ppm1=3.444 ppm2=0.998

assign ( resid 29 and name HA
	 )
       ( resid 94 and name HD1#
	 ) 2.8 0.6 0.6 volume=576054394.000 peak=845 ppm1=3.443 ppm2=0.696

assign ( resid 29 and name HB
	 )
       ( resid 29 and name HA
	 ) 3.4 0.7 0.7 volume=177756496.250 peak=846 ppm1=2.191 ppm2=3.445

assign ( resid 29 and name HA
	 )
       ( resid 28 and name HB2
	 ) 4.1 0.8 0.8 volume=53662410.250 peak=847 ppm1=3.441 ppm2=1.928

assign ( resid 29 and name HA
	 )
       ( resid 28 and name HB3
	 ) 4.5 0.9 0.9 volume=32775572.438 peak=848 ppm1=3.445 ppm2=1.724

assign ( resid 29 and name HA
	 )
       ( resid 31 and name HB#
	 ) 4.5 0.9 0.9 volume=34147827.000 peak=850 ppm1=3.441 ppm2=1.485

assign ( resid 29 and name HA
	 )
       ( resid 32 and name HB#
	 ) 3.0 0.6 0.6 volume=281692265.000 peak=851 ppm1=3.444 ppm2=1.364

assign ( resid 29 and name HA
	 )
       ( resid 67 and name HG2#
	 ) 4.5 0.9 0.9 volume=32848428.906 peak=852 ppm1=3.445 ppm2=1.238

assign ( resid 29 and name HA
	 )
       ( resid 28 and name HA
	 ) 4.1 0.8 0.8 volume=54725917.188 peak=853 ppm1=3.443 ppm2=4.156

assign ( resid 29 and name HA
	 )
       ( resid 32 and name H
	 ) 3.8 0.8 0.8 volume=93359486.375 peak=854 ppm1=3.443 ppm2=8.265

assign ( resid 29 and name HA
	 )
       ( resid 29 and name H
	 ) 3.3 0.7 0.7 volume=215983169.000 peak=855 ppm1=3.444 ppm2=8.732

assign ( resid 29 and name HA
	 )
       ( resid 30 and name H
	 ) 3.8 0.8 0.8 volume=84047078.000 peak=856 ppm1=3.442 ppm2=8.638

assign ( resid 29 and name HA
	 )
       ( resid 31 and name H
	 ) 4.5 0.9 0.9 volume=32831858.250 peak=857 ppm1=3.440 ppm2=8.528

assign ( resid 29 and name HB
	 )
       ( resid 28 and name H
	 ) 4.2 0.8 0.8 volume=47477716.875 peak=858 ppm1=2.188 ppm2=7.480

assign ( resid 29 and name HB
	 )
       ( resid 29 and name H
	 ) 3.0 0.6 0.6 volume=400632109.000 peak=859 ppm1=2.191 ppm2=8.734

assign ( resid 29 and name HB
	 )
       ( resid 30 and name H
	 ) 3.3 0.7 0.7 volume=214638692.500 peak=860 ppm1=2.191 ppm2=8.633

assign ( resid 29 and name HB
	 )
       ( resid 26 and name HA
	 ) 3.2 0.6 0.6 volume=278556682.500 peak=861 ppm1=2.197 ppm2=4.152

assign ( resid 29 and name HB
	 )
       ( resid 29 and name HG2#
	 ) 2.6 0.5 0.5 volume=810440304.000 peak=865 ppm1=2.191 ppm2=1.013

assign ( resid 29 and name HG2#
	 )
       ( resid 32 and name HB#
	 ) 3.6 0.7 0.7 volume=131196424.500 peak=871 ppm1=1.049 ppm2=1.343

assign ( resid 29 and name HG2#
	 )
       ( resid 64 and name HD1#
	 ) 3.9 0.8 0.8 volume=73489664.500 peak=872 ppm1=1.050 ppm2=0.391

assign ( resid 29 and name HG1#
	 )
       ( resid 29 and name HA
	 ) 2.5 0.5 0.5 volume=1079132794.000 peak=873 ppm1=0.986 ppm2=3.447

assign ( resid 62 and name HD1#
	 )
       ( resid 65 and name HA
	 ) 4.1 0.8 0.8 volume=59656248.750 peak=874 ppm1=0.990 ppm2=3.638

assign ( resid 29 and name HG1#
	 )
       ( resid 28 and name HA
	 ) 3.2 0.6 0.6 volume=258564745.750 peak=876 ppm1=0.983 ppm2=4.163

assign ( resid 62 and name HD1#
	 )
       ( resid 66 and name HA
	 ) 3.4 0.7 0.7 volume=188023441.000 peak=877 ppm1=0.986 ppm2=4.358

assign ( resid 29 and name HG1#
	 )
       ( resid 33 and name HG1
	 ) 4.2 0.8 0.8 volume=51342112.938 peak=878 ppm1=0.993 ppm2=4.553

assign ( resid 62 and name HD1#
	 )
       ( resid 66 and name HB2
	 ) 3.6 0.7 0.7 volume=124583718.500 peak=879 ppm1=0.985 ppm2=2.971

assign ( resid 29 and name HG1#
	 )
       ( resid 29 and name HB
	 ) 2.6 0.5 0.5 volume=896876626.000 peak=880 ppm1=0.986 ppm2=2.185

assign ( resid 62 and name HD1#
	 )
       ( resid 78 and name HB2
	 ) 3.6 0.7 0.7 volume=130967834.375 peak=881 ppm1=0.987 ppm2=2.307

assign ( resid 29 and name HG1#
	 )
       ( resid 28 and name HB2
	 ) 3.1 0.6 0.6 volume=318178879.500 peak=882 ppm1=0.986 ppm2=1.915

assign ( resid 62 and name HD1#
	 )
       ( resid 62 and name HG
	 ) 2.5 0.5 0.5 volume=1067149205.000 peak=883 ppm1=0.988 ppm2=1.744

assign ( resid 29 and name HG1#
	 )
       ( resid 28 and name HD1#
	 ) 2.3 0.5 0.5 volume=1674721488.000 peak=885 ppm1=0.987 ppm2=0.705

assign ( resid 62 and name HD1#
	 )
       ( resid 66 and name HD21
	 ) 3.5 0.7 0.7 volume=149605402.625 peak=886 ppm1=0.986 ppm2=6.878

assign ( resid 62 and name HD1#
	 )
       ( resid 62 and name H
	 ) 3.4 0.7 0.7 volume=167881240.750 peak=887 ppm1=0.985 ppm2=7.133

assign ( resid 29 and name HG1#
	 )
       ( resid 28 and name H
	 ) 3.4 0.7 0.7 volume=162471397.047 peak=888 ppm1=0.989 ppm2=7.469

assign ( resid 62 and name HD1#
	 )
       ( resid 65 and name H
	 ) 2.7 0.5 0.5 volume=95386757.938 peak=889 ppm1=0.992 ppm2=7.785

assign ( resid 29 and name HG1#
	 )
       ( resid 29 and name H
	 ) 2.8 0.6 0.6 volume=612169604.000 peak=890 ppm1=0.987 ppm2=8.732

assign ( resid 29 and name HG1#
	 )
       ( resid 30 and name H
	 ) 3.6 0.7 0.7 volume=122424927.000 peak=891 ppm1=0.985 ppm2=8.618

assign ( resid 29 and name HG1#
	 )
       ( resid 31 and name H
	 ) 4.2 0.8 0.8 volume=52884515.281 peak=892 ppm1=0.983 ppm2=8.521

assign ( resid 30 and name HA
	 )
       ( resid 31 and name H
	 ) 3.9 0.8 0.8 volume=77276365.000 peak=893 ppm1=3.955 ppm2=8.528

assign ( resid 30 and name HA
	 )
       ( resid 30 and name H
	 ) 3.2 0.6 0.6 volume=235081604.750 peak=894 ppm1=3.955 ppm2=8.636

assign ( resid 30 and name HA
	 )
       ( resid 32 and name H
	 ) 4.3 0.9 0.9 volume=40490043.094 peak=895 ppm1=3.956 ppm2=8.274

assign ( resid 30 and name HA
	 )
       ( resid 34 and name H
	 ) 4.2 0.8 0.8 volume=49215070.062 peak=896 ppm1=3.957 ppm2=8.383

assign ( resid 83 and name HA
	 )
       ( resid 83 and name H
	 ) 3.4 0.7 0.7 volume=187906679.250 peak=897 ppm1=3.968 ppm2=7.959

assign ( resid 83 and name HA
	 )
       ( resid 82 and name H
	 ) 4.1 0.8 0.8 volume=58808077.000 peak=898 ppm1=3.967 ppm2=7.479

assign ( resid 83 and name HA
	 )
       ( resid 84 and name H
	 ) 3.8 0.8 0.8 volume=86859956.125 peak=899 ppm1=3.966 ppm2=7.313

assign ( resid 30 and name HA
	 )
       ( resid 33 and name HG1
	 ) 3.6 0.7 0.7 volume=123378723.500 peak=900 ppm1=3.955 ppm2=4.549

assign ( resid 30 and name HA
	 )
       ( resid 33 and name HB
	 ) 3.4 0.7 0.7 volume=176472921.000 peak=901 ppm1=3.955 ppm2=4.247

assign ( resid 83 and name HB2
	 )
       ( resid 83 and name HA
	 ) 3.2 0.6 0.6 volume=242468581.500 peak=902 ppm1=2.272 ppm2=3.972

assign ( resid 30 and name HA
	 )
       ( resid 30 and name HB#
	 ) 2.4 0.5 0.5 volume=881640318.000 peak=904 ppm1=3.955 ppm2=1.589

assign ( resid 30 and name HA
	 )
       ( resid 31 and name HB#
	 ) 4.4 0.9 0.9 volume=38230665.312 peak=905 ppm1=3.955 ppm2=1.470

assign ( resid 32 and name HB#
	 )
       ( resid 30 and name HA
	 ) 3.6 0.7 0.7 volume=65726152.625 peak=906 ppm1=1.367 ppm2=3.974

assign ( resid 30 and name HA
	 )
       ( resid 33 and name HG2#
	 ) 4.3 0.9 0.9 volume=42212364.475 peak=907 ppm1=3.956 ppm2=1.186

assign ( resid 30 and name HA
	 )
       ( resid 29 and name HG2#
	 ) 3.8 0.8 0.8 volume=93995461.625 peak=908 ppm1=3.956 ppm2=1.044

assign ( resid 30 and name HA
	 )
       ( resid 45 and name HG2#
	 ) 3.0 0.6 0.6 volume=348326990.000 peak=909 ppm1=3.954 ppm2=0.701

assign ( resid 30 and name HB#
	 )
       ( resid 29 and name HG2#
	 ) 3.3 0.7 0.7 volume=116133881.375 peak=911 ppm1=1.587 ppm2=1.044

assign ( resid 30 and name HB#
	 )
       ( resid 27 and name HG2#
	 ) 3.5 0.7 0.7 volume=137260956.250 peak=912 ppm1=1.587 ppm2=1.235

assign ( resid 30 and name HB#
	 )
       ( resid 33 and name HG2#
	 ) 4.6 0.9 0.9 volume=29418275.485 peak=913 ppm1=1.591 ppm2=1.149

assign ( resid 30 and name HB#
	 )
       ( resid 45 and name HG2#
	 ) 2.9 0.6 0.6 volume=481910963.000 peak=914 ppm1=1.588 ppm2=0.700

assign ( resid 30 and name HB#
	 )
       ( resid 29 and name HG1#
	 ) 3.1 0.6 0.6 volume=100555890.125 peak=915 ppm1=1.590 ppm2=0.993

assign ( resid 30 and name HB#
	 )
       ( resid 87 and name HB2
	 ) 3.4 0.7 0.7 volume=161899906.000 peak=916 ppm1=1.587 ppm2=1.960

assign ( resid 30 and name HB#
	 )
       ( resid 45 and name HB
	 ) 2.9 0.6 0.6 volume=465036227.000 peak=917 ppm1=1.588 ppm2=2.108

assign ( resid 30 and name HB#
	 )
       ( resid 34 and name HA
	 ) 4.3 0.9 0.9 volume=42447384.562 peak=918 ppm1=1.593 ppm2=3.640

assign ( resid 29 and name HA
	 )
       ( resid 30 and name HB#
	 ) 3.8 0.8 0.8 volume=40122336.594 peak=919 ppm1=3.446 ppm2=1.602

assign ( resid 30 and name HB#
	 )
       ( resid 27 and name HB
	 ) 3.7 0.7 0.7 volume=103362934.527 peak=922 ppm1=1.591 ppm2=4.265

assign ( resid 30 and name HB#
	 )
       ( resid 33 and name HG1
	 ) 4.1 0.8 0.8 volume=55841787.625 peak=923 ppm1=1.590 ppm2=4.557

assign ( resid 30 and name HB#
	 )
       ( resid 28 and name H
	 ) 3.8 0.8 0.8 volume=91029648.688 peak=924 ppm1=1.589 ppm2=7.503

assign ( resid 30 and name HB#
	 )
       ( resid 32 and name H
	 ) 4.1 0.8 0.8 volume=60699537.062 peak=925 ppm1=1.590 ppm2=8.273

assign ( resid 30 and name HB#
	 )
       ( resid 33 and name H
	 ) 3.8 0.8 0.8 volume=91927907.625 peak=926 ppm1=1.590 ppm2=8.179

assign ( resid 30 and name HB#
	 )
       ( resid 30 and name H
	 ) 2.6 0.5 0.5 volume=987107286.000 peak=927 ppm1=1.589 ppm2=8.637

assign ( resid 30 and name HB#
	 )
       ( resid 31 and name H
	 ) 2.8 0.6 0.6 volume=512915234.500 peak=928 ppm1=1.588 ppm2=8.525

assign ( resid 30 and name HB#
	 )
       ( resid 34 and name H
	 ) 4.3 0.9 0.9 volume=42798838.438 peak=929 ppm1=1.592 ppm2=8.376

assign ( resid 30 and name HB#
	 )
       ( resid 29 and name H
	 ) 4.0 0.8 0.8 volume=69176260.812 peak=930 ppm1=1.591 ppm2=8.748

assign ( resid 31 and name HA
	 )
       ( resid 31 and name H
	 ) 3.2 0.6 0.6 volume=276951125.500 peak=931 ppm1=4.007 ppm2=8.527

assign ( resid 31 and name HA
	 )
       ( resid 34 and name H
	 ) 4.0 0.8 0.8 volume=68286140.750 peak=932 ppm1=4.005 ppm2=8.379

assign ( resid 31 and name HA
	 )
       ( resid 32 and name H
	 ) 3.7 0.7 0.7 volume=103947514.000 peak=933 ppm1=4.007 ppm2=8.268

assign ( resid 31 and name HA
	 )
       ( resid 35 and name H
	 ) 4.5 0.9 0.9 volume=33746819.094 peak=934 ppm1=4.007 ppm2=8.062

assign ( resid 31 and name HA
	 )
       ( resid 42 and name HG2
	 ) 3.3 0.7 0.7 volume=201933111.500 peak=935 ppm1=4.007 ppm2=1.935

assign ( resid 31 and name HA
	 )
       ( resid 30 and name HB#
	 ) 3.9 0.8 0.8 volume=79379202.875 peak=936 ppm1=4.005 ppm2=1.598

assign ( resid 50 and name HB#
	 )
       ( resid 53 and name HA
	 ) 4.0 0.8 0.8 volume=62107763.688 peak=939 ppm1=1.472 ppm2=4.571

assign ( resid 50 and name HB#
	 )
       ( resid 87 and name HD3
	 ) 4.0 0.8 0.8 volume=68155239.482 peak=940 ppm1=1.476 ppm2=2.478

assign ( resid 50 and name HB#
	 )
       ( resid 85 and name HB2
	 ) 3.8 0.8 0.8 volume=90516705.000 peak=941 ppm1=1.477 ppm2=2.254

assign ( resid 26 and name HA
	 )
       ( resid 91 and name HG2#
	 ) 3.8 0.8 0.8 volume=85293737.250 peak=942 ppm1=4.098 ppm2=0.975

assign ( resid 32 and name HB#
	 )
       ( resid 29 and name H
	 ) 4.0 0.8 0.8 volume=68153484.578 peak=943 ppm1=1.367 ppm2=8.717

assign ( resid 32 and name HB#
	 )
       ( resid 29 and name HB
	 ) 4.1 0.8 0.8 volume=59982577.562 peak=944 ppm1=1.365 ppm2=2.208

assign ( resid 32 and name HB#
	 )
       ( resid 64 and name HD1#
	 ) 3.6 0.7 0.7 volume=125042432.312 peak=945 ppm1=1.368 ppm2=0.374

assign ( resid 33 and name HA
	 )
       ( resid 64 and name HD1#
	 ) 3.7 0.7 0.7 volume=112938978.250 peak=946 ppm1=3.608 ppm2=0.390

assign ( resid 32 and name HB#
	 )
       ( resid 33 and name HA
	 ) 3.6 0.7 0.7 volume=97552469.500 peak=947 ppm1=1.363 ppm2=3.619

assign ( resid 33 and name HA
	 )
       ( resid 33 and name HG2#
	 ) 2.8 0.6 0.6 volume=430402588.000 peak=948 ppm1=3.607 ppm2=1.186

assign ( resid 33 and name HA
	 )
       ( resid 30 and name HB#
	 ) 4.3 0.9 0.9 volume=44440963.312 peak=949 ppm1=3.606 ppm2=1.590

assign ( resid 36 and name HB
	 )
       ( resid 33 and name HA
	 ) 3.7 0.7 0.7 volume=64352326.750 peak=950 ppm1=2.119 ppm2=3.617

assign ( resid 33 and name HA
	 )
       ( resid 30 and name HA
	 ) 3.9 0.8 0.8 volume=81810466.750 peak=951 ppm1=3.607 ppm2=3.949

assign ( resid 33 and name HA
	 )
       ( resid 34 and name H
	 ) 3.8 0.8 0.8 volume=95985030.250 peak=953 ppm1=3.607 ppm2=8.372

assign ( resid 33 and name HA
	 )
       ( resid 36 and name H
	 ) 4.2 0.8 0.8 volume=46837600.938 peak=954 ppm1=3.608 ppm2=7.772

assign ( resid 33 and name HA
	 )
       ( resid 56 and name HD1#
	 ) 3.6 0.7 0.7 volume=133674855.625 peak=955 ppm1=3.609 ppm2=0.654

assign ( resid 33 and name HA
	 )
       ( resid 33 and name HB
	 ) 3.0 0.6 0.6 volume=366858106.000 peak=957 ppm1=3.607 ppm2=4.251

assign ( resid 33 and name HG2#
	 )
       ( resid 33 and name HB
	 ) 2.4 0.5 0.5 volume=351566531.000 peak=958 ppm1=1.185 ppm2=4.252

assign ( resid 33 and name HB
	 )
       ( resid 30 and name HB#
	 ) 4.1 0.8 0.8 volume=61066337.375 peak=959 ppm1=4.262 ppm2=1.597

assign ( resid 33 and name HB
	 )
       ( resid 32 and name HB#
	 ) 3.9 0.8 0.8 volume=79281345.750 peak=960 ppm1=4.252 ppm2=1.361

assign ( resid 75 and name HB2
	 )
       ( resid 75 and name HA
	 ) 3.1 0.6 0.6 volume=297463022.000 peak=962 ppm1=2.617 ppm2=4.561

assign ( resid 53 and name HA
	 )
       ( resid 53 and name HB3
	 ) 2.8 0.6 0.6 volume=253520577.500 peak=964 ppm1=4.564 ppm2=2.759

assign ( resid 33 and name HG2#
	 )
       ( resid 36 and name H
	 ) 3.7 0.7 0.7 volume=99947676.250 peak=967 ppm1=1.182 ppm2=7.770

assign ( resid 61 and name HA
	 )
       ( resid 64 and name H
	 ) 3.8 0.8 0.8 volume=92556382.375 peak=968 ppm1=3.628 ppm2=8.586

assign ( resid 34 and name HA
	 )
       ( resid 35 and name H
	 ) 4.2 0.8 0.8 volume=51665140.125 peak=969 ppm1=3.633 ppm2=8.063

assign ( resid 34 and name HA
	 )
       ( resid 34 and name H
	 ) 3.5 0.7 0.7 volume=148657988.500 peak=970 ppm1=3.635 ppm2=8.375

assign ( resid 61 and name HA
	 )
       ( resid 65 and name H
	 ) 4.2 0.8 0.8 volume=46860372.500 peak=971 ppm1=3.630 ppm2=7.747

assign ( resid 34 and name HA
	 )
       ( resid 37 and name H
	 ) 4.0 0.8 0.8 volume=69790040.750 peak=972 ppm1=3.632 ppm2=7.643

assign ( resid 61 and name HA
	 )
       ( resid 62 and name H
	 ) 4.0 0.8 0.8 volume=70422443.875 peak=973 ppm1=3.627 ppm2=7.147

assign ( resid 34 and name HA
	 )
       ( resid 33 and name HB
	 ) 4.1 0.8 0.8 volume=53854005.250 peak=974 ppm1=3.636 ppm2=4.240

assign ( resid 61 and name HA
	 )
       ( resid 64 and name HA
	 ) 4.2 0.8 0.8 volume=50114875.688 peak=975 ppm1=3.630 ppm2=3.919

assign ( resid 61 and name HA
	 )
       ( resid 61 and name HB#
	 ) 2.6 0.5 0.5 volume=755173273.000 peak=977 ppm1=3.628 ppm2=1.186

assign ( resid 61 and name HA
	 )
       ( resid 56 and name HB
	 ) 4.2 0.8 0.8 volume=52327098.875 peak=979 ppm1=3.633 ppm2=1.669

assign ( resid 61 and name HA
	 )
       ( resid 64 and name HD1#
	 ) 3.1 0.6 0.6 volume=107176674.250 peak=981 ppm1=3.630 ppm2=0.387

assign ( resid 81 and name HG2#
	 )
       ( resid 61 and name HA
	 ) 3.6 0.7 0.7 volume=89497315.875 peak=982 ppm1=0.237 ppm2=3.621

assign ( resid 30 and name HB#
	 )
       ( resid 34 and name HB#
	 ) 3.3 0.7 0.7 volume=224226860.375 peak=985 ppm1=1.588 ppm2=1.298

assign ( resid 34 and name HB#
	 )
       ( resid 42 and name HG2
	 ) 3.3 0.7 0.7 volume=193924124.000 peak=986 ppm1=1.319 ppm2=1.929

assign ( resid 34 and name HB#
	 )
       ( resid 42 and name HG3
	 ) 3.0 0.6 0.6 volume=396889928.000 peak=987 ppm1=1.322 ppm2=2.072

assign ( resid 39 and name HB2
	 )
       ( resid 34 and name HB#
	 ) 3.3 0.7 0.7 volume=199750044.000 peak=988 ppm1=3.038 ppm2=1.319

assign ( resid 34 and name HB#
	 )
       ( resid 40 and name HB2
	 ) 4.4 0.9 0.9 volume=38804179.848 peak=989 ppm1=1.323 ppm2=3.161

assign ( resid 34 and name HB#
	 )
       ( resid 34 and name HA
	 ) 2.6 0.5 0.5 volume=858568922.000 peak=990 ppm1=1.320 ppm2=3.634

assign ( resid 31 and name HA
	 )
       ( resid 34 and name HB#
	 ) 3.0 0.6 0.6 volume=408149616.000 peak=991 ppm1=4.007 ppm2=1.325

assign ( resid 34 and name HB#
	 )
       ( resid 45 and name H
	 ) 4.1 0.8 0.8 volume=54148360.973 peak=994 ppm1=1.318 ppm2=7.515

assign ( resid 34 and name HB#
	 )
       ( resid 35 and name H
	 ) 3.1 0.6 0.6 volume=324076448.500 peak=995 ppm1=1.320 ppm2=8.056

assign ( resid 34 and name HB#
	 )
       ( resid 34 and name H
	 ) 2.7 0.5 0.5 volume=756905842.000 peak=996 ppm1=1.321 ppm2=8.375

assign ( resid 35 and name HA
	 )
       ( resid 35 and name H
	 ) 3.2 0.6 0.6 volume=244686333.000 peak=997 ppm1=3.856 ppm2=8.056

assign ( resid 35 and name HA
	 )
       ( resid 36 and name H
	 ) 3.8 0.8 0.8 volume=94109008.625 peak=998 ppm1=3.855 ppm2=7.767

assign ( resid 35 and name HA
	 )
       ( resid 37 and name H
	 ) 4.3 0.9 0.9 volume=46171636.188 peak=999 ppm1=3.859 ppm2=7.676

assign ( resid 35 and name HB
	 )
       ( resid 35 and name HA
	 ) 3.2 0.6 0.6 volume=216350815.750 peak=1000 ppm1=4.288 ppm2=3.861

assign ( resid 34 and name HB#
	 )
       ( resid 35 and name HA
	 ) 3.5 0.7 0.7 volume=85598468.625 peak=1001 ppm1=1.320 ppm2=3.867

assign ( resid 35 and name HA
	 )
       ( resid 35 and name HG2#
	 ) 2.6 0.5 0.5 volume=755971274.000 peak=1002 ppm1=3.855 ppm2=1.202

assign ( resid 35 and name HB
	 )
       ( resid 37 and name H
	 ) 4.2 0.8 0.8 volume=49613435.375 peak=1003 ppm1=4.291 ppm2=7.648

assign ( resid 27 and name HB
	 )
       ( resid 23 and name HB2
	 ) 4.5 0.9 0.9 volume=33881445.625 peak=1005 ppm1=4.289 ppm2=2.125

assign ( resid 35 and name HB
	 )
       ( resid 34 and name HB#
	 ) 3.5 0.7 0.7 volume=151661590.750 peak=1006 ppm1=4.292 ppm2=1.335

assign ( resid 35 and name HG2#
	 )
       ( resid 35 and name HB
	 ) 2.5 0.5 0.5 volume=1145786510.000 peak=1007 ppm1=1.204 ppm2=4.293

assign ( resid 36 and name HG1#
	 )
       ( resid 35 and name HB
	 ) 3.5 0.7 0.7 volume=101746933.625 peak=1008 ppm1=0.907 ppm2=4.267

assign ( resid 29 and name HG2#
	 )
       ( resid 33 and name HG1
	 ) 3.3 0.7 0.7 volume=201624313.250 peak=1009 ppm1=1.050 ppm2=4.552

assign ( resid 91 and name HG2#
	 )
       ( resid 91 and name HB
	 ) 2.7 0.5 0.5 volume=645365475.000 peak=1011 ppm1=1.011 ppm2=4.337

assign ( resid 96 and name HG2#
	 )
       ( resid 97 and name H
	 ) 3.3 0.7 0.7 volume=222288417.125 peak=1012 ppm1=1.147 ppm2=7.771

assign ( resid 96 and name HG2#
	 )
       ( resid 96 and name H
	 ) 3.1 0.6 0.6 volume=288911121.000 peak=1013 ppm1=1.145 ppm2=8.228

assign ( resid 35 and name HG2#
	 )
       ( resid 35 and name H
	 ) 3.2 0.6 0.6 volume=257083610.250 peak=1014 ppm1=1.202 ppm2=8.052

assign ( resid 36 and name HG1#
	 )
       ( resid 36 and name H
	 ) 3.0 0.6 0.6 volume=408701982.000 peak=1015 ppm1=0.905 ppm2=7.767

assign ( resid 29 and name HG2#
	 )
       ( resid 29 and name H
	 ) 3.2 0.6 0.6 volume=255974422.500 peak=1016 ppm1=1.049 ppm2=8.737

assign ( resid 29 and name HG2#
	 )
       ( resid 30 and name H
	 ) 3.4 0.7 0.7 volume=163357483.250 peak=1017 ppm1=1.050 ppm2=8.632

assign ( resid 29 and name HG2#
	 )
       ( resid 33 and name H
	 ) 3.8 0.8 0.8 volume=92983928.375 peak=1018 ppm1=1.051 ppm2=8.156

assign ( resid 29 and name HG2#
	 )
       ( resid 32 and name H
	 ) 4.4 0.9 0.9 volume=38448745.922 peak=1019 ppm1=1.053 ppm2=8.258

assign ( resid 29 and name HG2#
	 )
       ( resid 31 and name H
	 ) 4.4 0.9 0.9 volume=38093710.438 peak=1020 ppm1=1.046 ppm2=8.531

assign ( resid 29 and name HG2#
	 )
       ( resid 51 and name HE#
	 ) 3.5 0.7 0.7 volume=158784989.750 peak=1021 ppm1=1.050 ppm2=7.561

assign ( resid 51 and name HZ
	 )
       ( resid 29 and name HG2#
	 ) 3.2 0.6 0.6 volume=272012481.000 peak=1022 ppm1=6.834 ppm2=1.047

assign ( resid 79 and name HG2#
	 )
       ( resid 79 and name H
	 ) 3.0 0.6 0.6 volume=380720586.000 peak=1023 ppm1=1.121 ppm2=6.735

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG2#
	 ) 2.7 0.5 0.5 volume=263927551.500 peak=1024 ppm1=4.752 ppm2=1.121

assign ( resid 35 and name HG2#
	 )
       ( resid 37 and name H
	 ) 3.9 0.8 0.8 volume=80543847.375 peak=1027 ppm1=1.202 ppm2=7.651

assign ( resid 36 and name HB
	 )
       ( resid 35 and name HG2#
	 ) 3.8 0.8 0.8 volume=62495490.438 peak=1029 ppm1=2.121 ppm2=1.197

assign ( resid 36 and name HA
	 )
       ( resid 36 and name HG1#
	 ) 2.6 0.5 0.5 volume=681682764.000 peak=1030 ppm1=3.902 ppm2=0.913

assign ( resid 36 and name HA
	 )
       ( resid 36 and name H
	 ) 3.1 0.6 0.6 volume=288829591.000 peak=1031 ppm1=3.902 ppm2=7.767

assign ( resid 36 and name HA
	 )
       ( resid 37 and name H
	 ) 3.7 0.7 0.7 volume=106601876.000 peak=1032 ppm1=3.903 ppm2=7.654

assign ( resid 36 and name HA
	 )
       ( resid 35 and name HB
	 ) 4.1 0.8 0.8 volume=61653983.875 peak=1033 ppm1=3.904 ppm2=4.262

assign ( resid 36 and name HA
	 )
       ( resid 33 and name HA
	 ) 4.4 0.9 0.9 volume=35581674.812 peak=1034 ppm1=3.904 ppm2=3.616

assign ( resid 36 and name HA
	 )
       ( resid 36 and name HB
	 ) 2.9 0.6 0.6 volume=477472128.000 peak=1035 ppm1=3.902 ppm2=2.118

assign ( resid 36 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 3.9 0.8 0.8 volume=80445110.875 peak=1036 ppm1=3.906 ppm2=1.317

assign ( resid 36 and name HA
	 )
       ( resid 35 and name HG2#
	 ) 3.4 0.7 0.7 volume=176191876.250 peak=1037 ppm1=3.902 ppm2=1.201

assign ( resid 36 and name HB
	 )
       ( resid 36 and name H
	 ) 3.1 0.6 0.6 volume=287332137.000 peak=1040 ppm1=2.120 ppm2=7.770

assign ( resid 36 and name HB
	 )
       ( resid 37 and name H
	 ) 3.7 0.7 0.7 volume=112696752.000 peak=1041 ppm1=2.121 ppm2=7.653

assign ( resid 36 and name HB
	 )
       ( resid 60 and name HG2#
	 ) 3.3 0.7 0.7 volume=221200642.500 peak=1042 ppm1=2.116 ppm2=1.320

assign ( resid 36 and name HG1#
	 )
       ( resid 36 and name HB
	 ) 2.6 0.5 0.5 volume=874151758.000 peak=1044 ppm1=0.904 ppm2=2.118

assign ( resid 36 and name HG1#
	 )
       ( resid 63 and name HB2
	 ) 2.8 0.6 0.6 volume=521242025.500 peak=1046 ppm1=0.904 ppm2=2.038

assign ( resid 36 and name HG1#
	 )
       ( resid 60 and name HG2#
	 ) 2.7 0.5 0.5 volume=659333705.000 peak=1047 ppm1=0.905 ppm2=1.328

assign ( resid 36 and name HG1#
	 )
       ( resid 35 and name HG2#
	 ) 3.1 0.6 0.6 volume=320984517.250 peak=1048 ppm1=0.906 ppm2=1.199

assign ( resid 36 and name HG1#
	 )
       ( resid 56 and name HD1#
	 ) 2.8 0.6 0.6 volume=358250475.500 peak=1050 ppm1=0.906 ppm2=0.643

assign ( resid 36 and name HG1#
	 )
       ( resid 64 and name HD1#
	 ) 3.9 0.8 0.8 volume=81333413.938 peak=1051 ppm1=0.901 ppm2=0.387

assign ( resid 36 and name HG1#
	 )
       ( resid 33 and name HA
	 ) 3.7 0.7 0.7 volume=112824694.250 peak=1052 ppm1=0.900 ppm2=3.614

assign ( resid 36 and name HG1#
	 )
       ( resid 60 and name HB
	 ) 2.9 0.6 0.6 volume=463703346.500 peak=1053 ppm1=0.904 ppm2=4.126

assign ( resid 36 and name HG1#
	 )
       ( resid 60 and name HA
	 ) 3.6 0.7 0.7 volume=133621979.875 peak=1054 ppm1=0.900 ppm2=4.012

assign ( resid 36 and name HG1#
	 )
       ( resid 37 and name H
	 ) 3.9 0.8 0.8 volume=83395613.438 peak=1057 ppm1=0.901 ppm2=7.650

assign ( resid 36 and name HG1#
	 )
       ( resid 64 and name H
	 ) 3.6 0.7 0.7 volume=130477764.812 peak=1058 ppm1=0.903 ppm2=8.592

assign ( resid 28 and name HB3
	 )
       ( resid 27 and name H
	 ) 4.5 0.9 0.9 volume=32750305.250 peak=1059 ppm1=1.731 ppm2=8.172

assign ( resid 37 and name HA
	 )
       ( resid 37 and name H
	 ) 3.3 0.7 0.7 volume=219123175.000 peak=1060 ppm1=4.227 ppm2=7.654

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HB2
	 ) 3.3 0.7 0.7 volume=106743384.250 peak=1064 ppm1=4.222 ppm2=1.496

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HB3
	 ) 3.2 0.6 0.6 volume=135055240.000 peak=1065 ppm1=4.228 ppm2=1.294

assign ( resid 37 and name HB2
	 )
       ( resid 37 and name H
	 ) 3.6 0.7 0.7 volume=117617146.500 peak=1066 ppm1=1.487 ppm2=7.649

assign ( resid 37 and name HB3
	 )
       ( resid 37 and name H
	 ) 3.7 0.7 0.7 volume=107435210.375 peak=1067 ppm1=1.280 ppm2=7.649

assign ( resid 37 and name HB2
	 )
       ( resid 34 and name HA
	 ) 4.0 0.8 0.8 volume=69601461.500 peak=1068 ppm1=1.485 ppm2=3.645

assign ( resid 37 and name HB2
	 )
       ( resid 37 and name HB3
	 ) 3.0 0.6 0.6 volume=353569304.000 peak=1069 ppm1=1.508 ppm2=1.301

assign ( resid 56 and name HB
	 )
       ( resid 52 and name HA
	 ) 3.9 0.8 0.8 volume=79731987.500 peak=1070 ppm1=1.664 ppm2=4.251

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HA
	 ) 3.7 0.7 0.7 volume=103328215.750 peak=1073 ppm1=1.682 ppm2=4.238

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HB2
	 ) 3.7 0.7 0.7 volume=102334883.500 peak=1074 ppm1=1.680 ppm2=1.496

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HB3
	 ) 3.6 0.7 0.7 volume=116259081.500 peak=1075 ppm1=1.679 ppm2=1.298

assign ( resid 37 and name HG
	 )
       ( resid 33 and name HG2#
	 ) 3.7 0.7 0.7 volume=108522840.750 peak=1076 ppm1=1.675 ppm2=1.183

assign ( resid 37 and name HD1#
	 )
       ( resid 37 and name HB2
	 ) 2.8 0.6 0.6 volume=456717505.000 peak=1077 ppm1=0.715 ppm2=1.498

assign ( resid 37 and name HD1#
	 )
       ( resid 37 and name HB3
	 ) 2.9 0.6 0.6 volume=414133541.000 peak=1078 ppm1=0.715 ppm2=1.302

assign ( resid 37 and name HD1#
	 )
       ( resid 37 and name HA
	 ) 3.3 0.7 0.7 volume=196561953.500 peak=1079 ppm1=0.717 ppm2=4.217

assign ( resid 37 and name HD1#
	 )
       ( resid 37 and name H
	 ) 3.4 0.7 0.7 volume=191719765.000 peak=1080 ppm1=0.713 ppm2=7.647

assign ( resid 37 and name HD1#
	 )
       ( resid 36 and name H
	 ) 4.1 0.8 0.8 volume=54979900.312 peak=1081 ppm1=0.711 ppm2=7.751

assign ( resid 39 and name HD2
	 )
       ( resid 37 and name HD1#
	 ) 3.7 0.7 0.7 volume=49073338.531 peak=1082 ppm1=6.808 ppm2=0.708

assign ( resid 37 and name HD1#
	 )
       ( resid 34 and name HA
	 ) 3.5 0.7 0.7 volume=146868654.250 peak=1083 ppm1=0.715 ppm2=3.629

assign ( resid 37 and name HD1#
	 )
       ( resid 33 and name HG2#
	 ) 2.7 0.5 0.5 volume=657406023.000 peak=1084 ppm1=0.714 ppm2=1.180

assign ( resid 74 and name HD2#
	 )
       ( resid 74 and name H
	 ) 3.3 0.7 0.7 volume=213492369.250 peak=1085 ppm1=0.694 ppm2=7.644

assign ( resid 74 and name HD2#
	 )
       ( resid 74 and name HA
	 ) 2.6 0.5 0.5 volume=847935176.000 peak=1086 ppm1=0.693 ppm2=4.243

assign ( resid 74 and name HD2#
	 )
       ( resid 75 and name H
	 ) 3.3 0.7 0.7 volume=227379017.500 peak=1087 ppm1=0.695 ppm2=8.494

assign ( resid 74 and name HD2#
	 )
       ( resid 73 and name HA2
	 ) 4.0 0.8 0.8 volume=66179436.530 peak=1088 ppm1=0.697 ppm2=3.794

assign ( resid 74 and name HD2#
	 )
       ( resid 74 and name HB3
	 ) 2.9 0.6 0.6 volume=485903366.000 peak=1089 ppm1=0.694 ppm2=1.543

assign ( resid 37 and name HD2#
	 )
       ( resid 37 and name HA
	 ) 2.5 0.5 0.5 volume=1003351292.000 peak=1090 ppm1=0.737 ppm2=4.227

assign ( resid 37 and name HD2#
	 )
       ( resid 37 and name H
	 ) 3.2 0.6 0.6 volume=237866012.500 peak=1091 ppm1=0.737 ppm2=7.647

assign ( resid 37 and name HD2#
	 )
       ( resid 56 and name H
	 ) 3.7 0.7 0.7 volume=109167944.375 peak=1092 ppm1=0.737 ppm2=7.524

assign ( resid 37 and name HD2#
	 )
       ( resid 54 and name H
	 ) 4.0 0.8 0.8 volume=70490406.031 peak=1093 ppm1=0.737 ppm2=7.753

assign ( resid 37 and name HD2#
	 )
       ( resid 56 and name HA
	 ) 3.3 0.7 0.7 volume=207568944.250 peak=1094 ppm1=0.737 ppm2=3.957

assign ( resid 37 and name HD2#
	 )
       ( resid 55 and name HA2
	 ) 3.9 0.8 0.8 volume=75506034.250 peak=1095 ppm1=0.734 ppm2=3.658

assign ( resid 37 and name HD2#
	 )
       ( resid 37 and name HG
	 ) 2.6 0.5 0.5 volume=825992446.000 peak=1096 ppm1=0.737 ppm2=1.676

assign ( resid 37 and name HD2#
	 )
       ( resid 37 and name HB2
	 ) 3.1 0.6 0.6 volume=330970756.500 peak=1097 ppm1=0.739 ppm2=1.502

assign ( resid 37 and name HD2#
	 )
       ( resid 37 and name HB3
	 ) 2.7 0.5 0.5 volume=659175709.000 peak=1098 ppm1=0.737 ppm2=1.307

assign ( resid 37 and name HD2#
	 )
       ( resid 36 and name HB
	 ) 3.9 0.8 0.8 volume=76796301.000 peak=1099 ppm1=0.740 ppm2=2.113

assign ( resid 37 and name HD2#
	 )
       ( resid 33 and name HG2#
	 ) 3.2 0.6 0.6 volume=249905578.250 peak=1101 ppm1=0.738 ppm2=1.183

assign ( resid 38 and name HA2
	 )
       ( resid 38 and name HA3
	 ) 2.7 0.5 0.5 volume=718367584.000 peak=1102 ppm1=4.056 ppm2=3.708

assign ( resid 42 and name HA
	 )
       ( resid 43 and name H
	 ) 4.1 0.8 0.8 volume=59247523.500 peak=1104 ppm1=4.181 ppm2=9.007

assign ( resid 42 and name HA
	 )
       ( resid 31 and name HA
	 ) 3.6 0.7 0.7 volume=127549674.250 peak=1105 ppm1=4.183 ppm2=3.998

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HD3
	 ) 4.0 0.8 0.8 volume=49000073.125 peak=1107 ppm1=4.182 ppm2=3.632

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HB2
	 ) 2.8 0.6 0.6 volume=560302371.000 peak=1108 ppm1=4.184 ppm2=2.078

assign ( resid 42 and name HG2
	 )
       ( resid 42 and name HA
	 ) 3.2 0.6 0.6 volume=241861060.500 peak=1109 ppm1=1.937 ppm2=4.172

assign ( resid 34 and name HB#
	 )
       ( resid 42 and name HA
	 ) 2.8 0.6 0.6 volume=437243793.000 peak=1110 ppm1=1.317 ppm2=4.184

assign ( resid 42 and name HA
	 )
       ( resid 30 and name HB#
	 ) 3.2 0.6 0.6 volume=213058070.250 peak=1111 ppm1=4.184 ppm2=1.597

assign ( resid 42 and name HA
	 )
       ( resid 45 and name HD1#
	 ) 3.4 0.7 0.7 volume=166865540.000 peak=1112 ppm1=4.184 ppm2=0.681

assign ( resid 42 and name HB3
	 )
       ( resid 42 and name HA
	 ) 3.0 0.6 0.6 volume=299902051.500 peak=1114 ppm1=2.016 ppm2=4.181

assign ( resid 78 and name HB3
	 )
       ( resid 78 and name HA
	 ) 3.0 0.6 0.6 volume=368153024.500 peak=1115 ppm1=2.015 ppm2=4.022

assign ( resid 42 and name HB2
	 )
       ( resid 43 and name H
	 ) 4.4 0.9 0.9 volume=36154228.875 peak=1116 ppm1=2.076 ppm2=9.005

assign ( resid 60 and name HG2#
	 )
       ( resid 60 and name HB
	 ) 2.6 0.5 0.5 volume=972113744.000 peak=1120 ppm1=1.315 ppm2=4.135

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 2.6 0.5 0.5 volume=958602254.000 peak=1121 ppm1=4.007 ppm2=1.316

assign ( resid 60 and name HB
	 )
       ( resid 63 and name HB2
	 ) 3.6 0.7 0.7 volume=117632589.750 peak=1122 ppm1=4.135 ppm2=2.030

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HD2
	 ) 4.1 0.8 0.8 volume=56697587.875 peak=1125 ppm1=4.181 ppm2=3.890

assign ( resid 42 and name HD3
	 )
       ( resid 42 and name HD2
	 ) 2.7 0.5 0.5 volume=664381529.000 peak=1130 ppm1=3.638 ppm2=3.880

assign ( resid 42 and name HD2
	 )
       ( resid 42 and name HG2
	 ) 3.1 0.6 0.6 volume=311502316.000 peak=1131 ppm1=3.867 ppm2=1.941

assign ( resid 42 and name HD3
	 )
       ( resid 42 and name HG2
	 ) 3.1 0.6 0.6 volume=318429443.500 peak=1132 ppm1=3.640 ppm2=1.941

assign ( resid 42 and name HD3
	 )
       ( resid 42 and name HB2
	 ) 3.0 0.6 0.6 volume=362528908.500 peak=1133 ppm1=3.639 ppm2=2.068

assign ( resid 42 and name HD3
	 )
       ( resid 41 and name HG2#
	 ) 3.7 0.7 0.7 volume=109990359.375 peak=1134 ppm1=3.638 ppm2=1.150

assign ( resid 42 and name HD2
	 )
       ( resid 41 and name HB
	 ) 3.3 0.7 0.7 volume=217012530.500 peak=1136 ppm1=3.868 ppm2=4.302

assign ( resid 41 and name HB
	 )
       ( resid 42 and name HD3
	 ) 3.4 0.7 0.7 volume=161947016.750 peak=1137 ppm1=4.304 ppm2=3.639

assign ( resid 41 and name HB
	 )
       ( resid 41 and name HA
	 ) 3.9 0.8 0.8 volume=78207422.750 peak=1138 ppm1=4.303 ppm2=4.842

assign ( resid 42 and name HD2
	 )
       ( resid 41 and name HA
	 ) 3.4 0.7 0.7 volume=174359743.750 peak=1139 ppm1=3.865 ppm2=4.858

assign ( resid 41 and name HA
	 )
       ( resid 41 and name HG2#
	 ) 3.3 0.7 0.7 volume=212432497.750 peak=1140 ppm1=4.841 ppm2=1.145

assign ( resid 41 and name HB
	 )
       ( resid 43 and name H
	 ) 4.3 0.9 0.9 volume=40959980.625 peak=1141 ppm1=4.304 ppm2=9.011

assign ( resid 43 and name HG2
	 )
       ( resid 41 and name HB
	 ) 4.4 0.9 0.9 volume=38123627.000 peak=1142 ppm1=2.244 ppm2=4.335

assign ( resid 41 and name HB
	 )
       ( resid 42 and name HG3
	 ) 4.0 0.8 0.8 volume=69005387.500 peak=1143 ppm1=4.302 ppm2=2.064

assign ( resid 41 and name HB
	 )
       ( resid 43 and name HB2
	 ) 4.0 0.8 0.8 volume=68171594.125 peak=1144 ppm1=4.303 ppm2=1.952

assign ( resid 41 and name HB
	 )
       ( resid 41 and name HG2#
	 ) 2.6 0.5 0.5 volume=786774028.000 peak=1145 ppm1=4.303 ppm2=1.147

assign ( resid 41 and name HG2#
	 )
       ( resid 42 and name HD2
	 ) 3.0 0.6 0.6 volume=346523309.000 peak=1146 ppm1=1.147 ppm2=3.894

assign ( resid 41 and name HG2#
	 )
       ( resid 44 and name HB3
	 ) 3.4 0.7 0.7 volume=162166379.000 peak=1147 ppm1=1.147 ppm2=3.794

assign ( resid 96 and name HG2#
	 )
       ( resid 96 and name HA
	 ) 2.6 0.5 0.5 volume=860185334.000 peak=1148 ppm1=1.145 ppm2=3.616

assign ( resid 41 and name HG2#
	 )
       ( resid 40 and name HB3
	 ) 4.0 0.8 0.8 volume=70298798.250 peak=1149 ppm1=1.148 ppm2=3.023

assign ( resid 41 and name HG2#
	 )
       ( resid 43 and name HB3
	 ) 2.9 0.6 0.6 volume=414610954.000 peak=1150 ppm1=1.144 ppm2=1.983

assign ( resid 41 and name HG2#
	 )
       ( resid 40 and name HD2
	 ) 4.3 0.9 0.9 volume=43769525.188 peak=1151 ppm1=1.151 ppm2=6.876

assign ( resid 47 and name HG3
	 )
       ( resid 47 and name HB3
	 ) 3.0 0.6 0.6 volume=361540558.000 peak=1153 ppm1=1.950 ppm2=2.354

assign ( resid 42 and name HG3
	 )
       ( resid 42 and name HA
	 ) 3.4 0.7 0.7 volume=173555183.500 peak=1154 ppm1=2.069 ppm2=4.184

assign ( resid 42 and name HG3
	 )
       ( resid 42 and name HD3
	 ) 3.3 0.7 0.7 volume=197757732.000 peak=1155 ppm1=2.070 ppm2=3.638

assign ( resid 42 and name HG3
	 )
       ( resid 41 and name HA
	 ) 4.2 0.8 0.8 volume=51481007.000 peak=1156 ppm1=2.069 ppm2=4.865

assign ( resid 22 and name HB2
	 )
       ( resid 18 and name HA
	 or resid 41 and name HB
	 ) 4.4 0.9 0.9 volume=37441327.406 peak=1158 ppm1=1.937 ppm2=4.316

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name HG2
	 ) 2.4 0.5 0.5 volume=848508836.000 peak=1159 ppm1=1.952 ppm2=2.244

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name HG2
	 ) 2.6 0.5 0.5 volume=873365672.000 peak=1160 ppm1=1.975 ppm2=2.244

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name HA
	 ) 2.9 0.6 0.6 volume=502538520.000 peak=1161 ppm1=1.980 ppm2=4.057

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name HA
	 ) 2.9 0.6 0.6 volume=498686344.000 peak=1162 ppm1=1.952 ppm2=4.056

assign ( resid 43 and name HB3
	 )
       ( resid 43 and name H
	 ) 3.6 0.7 0.7 volume=132472026.750 peak=1163 ppm1=1.973 ppm2=9.002

assign ( resid 43 and name HB2
	 )
       ( resid 43 and name H
	 ) 3.6 0.7 0.7 volume=125838860.500 peak=1164 ppm1=1.953 ppm2=9.000

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HA
	 ) 2.8 0.6 0.6 volume=422338834.000 peak=1168 ppm1=2.245 ppm2=4.056

assign ( resid 43 and name HG2
	 )
       ( resid 42 and name HA
	 ) 4.6 0.9 0.9 volume=30529133.812 peak=1169 ppm1=2.245 ppm2=4.179

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name H
	 ) 3.7 0.7 0.7 volume=110618859.000 peak=1170 ppm1=2.246 ppm2=9.004

assign ( resid 44 and name HB2
	 )
       ( resid 44 and name HA
	 ) 2.9 0.6 0.6 volume=459485553.500 peak=1171 ppm1=3.919 ppm2=4.358

assign ( resid 44 and name HA
	 )
       ( resid 44 and name HB3
	 ) 2.9 0.6 0.6 volume=473374876.500 peak=1172 ppm1=4.362 ppm2=3.792

assign ( resid 44 and name HA
	 )
       ( resid 41 and name HG2#
	 ) 4.1 0.8 0.8 volume=53592026.750 peak=1173 ppm1=4.362 ppm2=1.160

assign ( resid 44 and name HA
	 )
       ( resid 43 and name HB3
	 ) 4.2 0.8 0.8 volume=51216182.562 peak=1174 ppm1=4.359 ppm2=1.978

assign ( resid 81 and name HG2#
	 )
       ( resid 82 and name HA
	 ) 4.2 0.8 0.8 volume=42722446.062 peak=1175 ppm1=0.237 ppm2=4.347

assign ( resid 44 and name HA
	 )
       ( resid 45 and name HD1#
	 ) 4.2 0.8 0.8 volume=49475942.750 peak=1176 ppm1=4.347 ppm2=0.669

assign ( resid 44 and name HB2
	 )
       ( resid 44 and name HB3
	 ) 2.5 0.5 0.5 volume=1255698154.000 peak=1178 ppm1=3.917 ppm2=3.790

assign ( resid 44 and name HB2
	 )
       ( resid 41 and name HG2#
	 ) 4.0 0.8 0.8 volume=62422849.062 peak=1180 ppm1=3.919 ppm2=1.148

assign ( resid 101 and name HB2
	 )
       ( resid 102 and name H
	 ) 3.4 0.7 0.7 volume=175784001.250 peak=1181 ppm1=3.790 ppm2=8.024

assign ( resid 45 and name HG13
	 )
       ( resid 45 and name HA
	 ) 3.2 0.6 0.6 volume=237706654.000 peak=1183 ppm1=1.394 ppm2=3.949

assign ( resid 56 and name HA
	 )
       ( resid 61 and name HB#
	 ) 3.8 0.8 0.8 volume=61415991.812 peak=1184 ppm1=3.957 ppm2=1.186

assign ( resid 45 and name HA
	 )
       ( resid 54 and name HD1#
	 ) 3.5 0.7 0.7 volume=148687495.750 peak=1185 ppm1=3.955 ppm2=0.853

assign ( resid 56 and name HD1#
	 )
       ( resid 56 and name HA
	 ) 2.5 0.5 0.5 volume=1218833108.000 peak=1186 ppm1=0.668 ppm2=3.962

assign ( resid 45 and name HB
	 )
       ( resid 45 and name HA
	 ) 3.4 0.7 0.7 volume=178234881.750 peak=1187 ppm1=2.125 ppm2=3.952

assign ( resid 45 and name HB
	 )
       ( resid 45 and name HG12
	 ) 2.9 0.6 0.6 volume=437507565.000 peak=1188 ppm1=2.126 ppm2=1.600

assign ( resid 45 and name HB
	 )
       ( resid 45 and name HG13
	 ) 3.3 0.7 0.7 volume=192482740.000 peak=1189 ppm1=2.125 ppm2=1.393

assign ( resid 45 and name HG2#
	 )
       ( resid 45 and name HB
	 ) 2.6 0.5 0.5 volume=611022693.000 peak=1190 ppm1=0.713 ppm2=2.125

assign ( resid 45 and name HG13
	 )
       ( resid 42 and name HA
	 ) 3.8 0.8 0.8 volume=93458607.500 peak=1193 ppm1=1.397 ppm2=4.194

assign ( resid 45 and name HG2#
	 )
       ( resid 45 and name HG13
	 ) 3.0 0.6 0.6 volume=374515098.000 peak=1196 ppm1=0.713 ppm2=1.391

assign ( resid 45 and name HG2#
	 )
       ( resid 87 and name HB2
	 ) 3.5 0.7 0.7 volume=154266043.250 peak=1197 ppm1=0.711 ppm2=1.966

assign ( resid 45 and name HG2#
	 )
       ( resid 33 and name HG2#
	 ) 2.9 0.6 0.6 volume=474796609.000 peak=1198 ppm1=0.713 ppm2=1.185

assign ( resid 45 and name HG2#
	 )
       ( resid 87 and name HD3
	 ) 4.0 0.8 0.8 volume=66273639.375 peak=1199 ppm1=0.705 ppm2=2.455

assign ( resid 45 and name HG2#
	 )
       ( resid 47 and name HB3
	 ) 4.3 0.9 0.9 volume=44713603.344 peak=1200 ppm1=0.708 ppm2=2.364

assign ( resid 45 and name HG2#
	 )
       ( resid 34 and name HA
	 ) 3.9 0.8 0.8 volume=78563617.000 peak=1201 ppm1=0.713 ppm2=3.650

assign ( resid 45 and name HG2#
	 )
       ( resid 33 and name HB
	 ) 3.4 0.7 0.7 volume=166915292.000 peak=1202 ppm1=0.711 ppm2=4.254

assign ( resid 45 and name HG2#
	 )
       ( resid 45 and name HA
	 ) 2.6 0.5 0.5 volume=966401883.000 peak=1203 ppm1=0.713 ppm2=3.951

assign ( resid 45 and name HG2#
	 )
       ( resid 30 and name H
	 ) 4.3 0.9 0.9 volume=44713184.703 peak=1204 ppm1=0.709 ppm2=8.636

assign ( resid 45 and name HG2#
	 )
       ( resid 46 and name H
	 ) 3.4 0.7 0.7 volume=166076449.625 peak=1205 ppm1=0.713 ppm2=8.210

assign ( resid 46 and name HA
	 )
       ( resid 47 and name HG2
	 ) 3.7 0.7 0.7 volume=108752234.000 peak=1206 ppm1=4.795 ppm2=1.989

assign ( resid 46 and name HA
	 )
       ( resid 47 and name HB2
	 ) 3.6 0.7 0.7 volume=115984097.250 peak=1207 ppm1=4.793 ppm2=1.912

assign ( resid 46 and name HA
	 )
       ( resid 45 and name HG2#
	 ) 4.3 0.9 0.9 volume=43855386.344 peak=1208 ppm1=4.797 ppm2=0.698

assign ( resid 47 and name HD3
	 )
       ( resid 46 and name HA
	 ) 3.0 0.6 0.6 volume=410380703.500 peak=1209 ppm1=3.990 ppm2=4.795

assign ( resid 46 and name HB3
	 )
       ( resid 46 and name HA
	 ) 2.9 0.6 0.6 volume=188612708.750 peak=1212 ppm1=3.903 ppm2=4.797

assign ( resid 46 and name HB3
	 )
       ( resid 46 and name H
	 ) 3.0 0.6 0.6 volume=373946973.500 peak=1213 ppm1=3.903 ppm2=8.217

assign ( resid 46 and name HB3
	 )
       ( resid 48 and name HB#
	 ) 3.1 0.6 0.6 volume=296075504.500 peak=1214 ppm1=3.903 ppm2=1.275

assign ( resid 48 and name HB#
	 )
       ( resid 47 and name HA
	 ) 3.6 0.7 0.7 volume=127712360.250 peak=1215 ppm1=1.254 ppm2=4.118

assign ( resid 47 and name HB2
	 )
       ( resid 48 and name HA
	 ) 4.0 0.8 0.8 volume=64571469.500 peak=1219 ppm1=1.891 ppm2=4.378

assign ( resid 47 and name HB3
	 )
       ( resid 48 and name HA
	 ) 4.3 0.9 0.9 volume=46102638.812 peak=1220 ppm1=2.347 ppm2=4.371

assign ( resid 47 and name HB3
	 )
       ( resid 48 and name H
	 ) 3.8 0.8 0.8 volume=84467769.875 peak=1221 ppm1=2.355 ppm2=7.550

assign ( resid 47 and name HB3
	 )
       ( resid 47 and name HG2
	 ) 2.8 0.6 0.6 volume=531549070.000 peak=1222 ppm1=2.351 ppm2=1.989

assign ( resid 47 and name HB2
	 )
       ( resid 47 and name HG2
	 ) 2.7 0.5 0.5 volume=636938268.000 peak=1223 ppm1=1.895 ppm2=1.992

assign ( resid 47 and name HB2
	 )
       ( resid 48 and name HB#
	 ) 3.8 0.8 0.8 volume=93497155.250 peak=1225 ppm1=1.894 ppm2=1.259

assign ( resid 47 and name HD3
	 )
       ( resid 47 and name HD2
	 ) 2.7 0.5 0.5 volume=676781720.000 peak=1227 ppm1=3.989 ppm2=3.758

assign ( resid 47 and name HD3
	 )
       ( resid 47 and name HA
	 ) 4.0 0.8 0.8 volume=62233756.750 peak=1228 ppm1=3.990 ppm2=4.122

assign ( resid 47 and name HD3
	 )
       ( resid 46 and name HB3
	 ) 3.4 0.7 0.7 volume=185045642.000 peak=1229 ppm1=3.987 ppm2=3.902

assign ( resid 47 and name HD2
	 )
       ( resid 46 and name HB3
	 ) 3.4 0.7 0.7 volume=168045938.750 peak=1230 ppm1=3.758 ppm2=3.901

assign ( resid 46 and name HA
	 )
       ( resid 47 and name HD2
	 ) 3.1 0.6 0.6 volume=147279104.375 peak=1232 ppm1=4.796 ppm2=3.759

assign ( resid 93 and name HA
	 )
       ( resid 93 and name HB3
	 ) 3.3 0.7 0.7 volume=122185485.500 peak=1233 ppm1=4.179 ppm2=2.804

assign ( resid 93 and name HB2
	 )
       ( resid 93 and name HA
	 ) 3.2 0.6 0.6 volume=174270670.750 peak=1234 ppm1=2.454 ppm2=4.176

assign ( resid 100 and name HB2
	 )
       ( resid 100 and name HA
	 ) 3.0 0.6 0.6 volume=405749820.500 peak=1236 ppm1=2.066 ppm2=4.359

assign ( resid 100 and name HB3
	 )
       ( resid 100 and name HA
	 ) 2.8 0.6 0.6 volume=413638884.000 peak=1237 ppm1=1.992 ppm2=4.358

assign ( resid 47 and name HG2
	 )
       ( resid 47 and name HD3
	 ) 3.0 0.6 0.6 volume=288942077.000 peak=1238 ppm1=2.013 ppm2=3.990

assign ( resid 47 and name HG3
	 )
       ( resid 47 and name HD2
	 ) 3.2 0.6 0.6 volume=268158449.000 peak=1240 ppm1=1.952 ppm2=3.758

assign ( resid 47 and name HG2
	 )
       ( resid 48 and name HB#
	 ) 3.9 0.8 0.8 volume=56176771.125 peak=1241 ppm1=2.009 ppm2=1.259

assign ( resid 48 and name HA
	 )
       ( resid 49 and name H
	 ) 3.6 0.7 0.7 volume=129370102.000 peak=1242 ppm1=4.384 ppm2=7.473

assign ( resid 48 and name HB#
	 )
       ( resid 47 and name HG3
	 ) 3.7 0.7 0.7 volume=112127983.375 peak=1244 ppm1=1.258 ppm2=1.932

assign ( resid 47 and name HB3
	 )
       ( resid 48 and name HB#
	 ) 4.0 0.8 0.8 volume=39682460.814 peak=1245 ppm1=2.352 ppm2=1.257

assign ( resid 48 and name HB#
	 )
       ( resid 88 and name HB2
	 ) 3.9 0.8 0.8 volume=81169632.125 peak=1246 ppm1=1.256 ppm2=2.826

assign ( resid 48 and name HB#
	 )
       ( resid 49 and name HB
	 ) 3.4 0.7 0.7 volume=171417739.250 peak=1247 ppm1=1.256 ppm2=3.921

assign ( resid 48 and name HB#
	 )
       ( resid 48 and name HA
	 ) 2.4 0.5 0.5 volume=1459254068.000 peak=1249 ppm1=1.255 ppm2=4.382

assign ( resid 48 and name HB#
	 )
       ( resid 49 and name H
	 ) 3.3 0.7 0.7 volume=218434975.500 peak=1250 ppm1=1.258 ppm2=7.466

assign ( resid 49 and name HB
	 )
       ( resid 50 and name H
	 ) 3.5 0.7 0.7 volume=161348179.500 peak=1251 ppm1=3.904 ppm2=8.717

assign ( resid 49 and name HB
	 )
       ( resid 49 and name H
	 ) 3.0 0.6 0.6 volume=376626506.500 peak=1252 ppm1=3.903 ppm2=7.472

assign ( resid 49 and name HB
	 )
       ( resid 50 and name HA
	 ) 4.2 0.8 0.8 volume=46515184.750 peak=1253 ppm1=3.902 ppm2=4.372

assign ( resid 49 and name HB
	 )
       ( resid 53 and name HB3
	 ) 4.4 0.9 0.9 volume=39637926.000 peak=1254 ppm1=3.892 ppm2=2.750

assign ( resid 49 and name HB
	 )
       ( resid 54 and name HG
	 ) 3.9 0.8 0.8 volume=75219188.125 peak=1255 ppm1=3.904 ppm2=1.636

assign ( resid 49 and name HB
	 )
       ( resid 50 and name HB#
	 ) 4.2 0.8 0.8 volume=48816443.188 peak=1256 ppm1=3.903 ppm2=1.482

assign ( resid 49 and name HB
	 )
       ( resid 54 and name HD1#
	 ) 3.3 0.7 0.7 volume=217471009.500 peak=1258 ppm1=3.903 ppm2=0.853

assign ( resid 49 and name HB
	 )
       ( resid 54 and name HD2#
	 ) 3.4 0.7 0.7 volume=169121583.000 peak=1259 ppm1=3.904 ppm2=0.708

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HD#
	 ) 3.1 0.6 0.6 volume=333826005.000 peak=1260 ppm1=4.103 ppm2=7.080

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HE#
	 ) 3.9 0.8 0.8 volume=76932949.125 peak=1261 ppm1=4.102 ppm2=7.549

assign ( resid 51 and name HA
	 )
       ( resid 52 and name H
	 ) 4.4 0.9 0.9 volume=38776799.688 peak=1262 ppm1=4.106 ppm2=9.130

assign ( resid 51 and name HA
	 )
       ( resid 50 and name HA
	 ) 4.0 0.8 0.8 volume=63676838.625 peak=1263 ppm1=4.105 ppm2=4.375

assign ( resid 27 and name HG2#
	 )
       ( resid 28 and name HA
	 ) 3.0 0.6 0.6 volume=381753081.047 peak=1264 ppm1=1.256 ppm2=4.137

assign ( resid 67 and name HG2#
	 )
       ( resid 68 and name H
	 ) 3.2 0.6 0.6 volume=262368841.500 peak=1265 ppm1=1.242 ppm2=8.279

assign ( resid 67 and name HG2#
	 )
       ( resid 70 and name H
	 ) 3.0 0.6 0.6 volume=359639443.500 peak=1266 ppm1=1.259 ppm2=7.866

assign ( resid 49 and name HG2#
	 )
       ( resid 50 and name H
	 ) 2.9 0.6 0.6 volume=481671828.000 peak=1267 ppm1=1.291 ppm2=8.716

assign ( resid 49 and name HG2#
	 )
       ( resid 49 and name H
	 ) 3.4 0.7 0.7 volume=176204395.250 peak=1268 ppm1=1.291 ppm2=7.468

assign ( resid 49 and name HG2#
	 )
       ( resid 53 and name H
	 ) 3.6 0.7 0.7 volume=129226891.750 peak=1269 ppm1=1.291 ppm2=7.117

assign ( resid 49 and name HG2#
	 )
       ( resid 54 and name HA
	 ) 3.5 0.7 0.7 volume=138303493.500 peak=1271 ppm1=1.291 ppm2=4.317

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HG2#
	 ) 2.4 0.5 0.5 volume=1273832090.000 peak=1272 ppm1=3.903 ppm2=1.289

assign ( resid 49 and name HG2#
	 )
       ( resid 53 and name HB3
	 ) 2.7 0.5 0.5 volume=669841112.000 peak=1273 ppm1=1.291 ppm2=2.760

assign ( resid 49 and name HG2#
	 )
       ( resid 54 and name HG
	 ) 3.0 0.6 0.6 volume=376499384.500 peak=1274 ppm1=1.291 ppm2=1.639

assign ( resid 49 and name HG2#
	 )
       ( resid 54 and name HB3
	 ) 4.0 0.8 0.8 volume=69599396.797 peak=1275 ppm1=1.295 ppm2=2.063

assign ( resid 49 and name HG2#
	 )
       ( resid 54 and name HD1#
	 ) 2.7 0.5 0.5 volume=723855309.000 peak=1276 ppm1=1.292 ppm2=0.853

assign ( resid 49 and name HG2#
	 )
       ( resid 45 and name HG2#
	 ) 3.1 0.6 0.6 volume=320185117.500 peak=1277 ppm1=1.291 ppm2=0.708

assign ( resid 72 and name HG2#
	 )
       ( resid 72 and name HA
	 ) 2.7 0.5 0.5 volume=610768646.000 peak=1278 ppm1=1.117 ppm2=4.498

assign ( resid 72 and name HA
	 )
       ( resid 9 and name HD2#
	 ) 2.7 0.5 0.5 volume=657938919.000 peak=1279 ppm1=4.497 ppm2=0.842

assign ( resid 72 and name HA
	 )
       ( resid 94 and name HD1#
	 ) 3.4 0.7 0.7 volume=168975569.750 peak=1280 ppm1=4.496 ppm2=0.704

assign ( resid 57 and name HB3
	 )
       ( resid 57 and name HA
	 ) 3.3 0.7 0.7 volume=218635512.000 peak=1281 ppm1=3.192 ppm2=4.808

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HB2
	 ) 3.2 0.6 0.6 volume=268801180.000 peak=1282 ppm1=4.806 ppm2=2.621

assign ( resid 57 and name HA
	 )
       ( resid 57 and name H
	 ) 3.8 0.8 0.8 volume=91386557.000 peak=1283 ppm1=4.807 ppm2=8.004

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HD2
	 ) 4.3 0.9 0.9 volume=43389154.047 peak=1284 ppm1=4.691 ppm2=6.821

assign ( resid 75 and name HA
	 )
       ( resid 76 and name H
	 ) 2.8 0.6 0.6 volume=512151365.000 peak=1286 ppm1=4.562 ppm2=7.862

assign ( resid 75 and name HA
	 )
       ( resid 75 and name H
	 ) 3.6 0.7 0.7 volume=120978599.000 peak=1287 ppm1=4.563 ppm2=8.488

assign ( resid 75 and name HB3
	 )
       ( resid 75 and name HA
	 ) 3.0 0.6 0.6 volume=393113708.000 peak=1289 ppm1=2.462 ppm2=4.562

assign ( resid 75 and name HA
	 )
       ( resid 74 and name HG
	 ) 3.6 0.7 0.7 volume=129487831.250 peak=1290 ppm1=4.563 ppm2=1.522

assign ( resid 11 and name HB#
	 )
       ( resid 8 and name HA
	 ) 2.7 0.5 0.5 volume=690819903.500 peak=1291 ppm1=1.472 ppm2=4.448

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HB#
	 ) 2.5 0.5 0.5 volume=554496414.000 peak=1292 ppm1=4.378 ppm2=1.470

assign ( resid 50 and name HA
	 )
       ( resid 51 and name HB3
	 ) 4.2 0.8 0.8 volume=48826137.438 peak=1293 ppm1=4.381 ppm2=2.698

assign ( resid 51 and name HD#
	 )
       ( resid 50 and name HA
	 ) 4.1 0.8 0.8 volume=59961337.500 peak=1294 ppm1=7.079 ppm2=4.367

assign ( resid 50 and name HA
	 )
       ( resid 50 and name H
	 ) 3.5 0.7 0.7 volume=145063542.750 peak=1295 ppm1=4.379 ppm2=8.726

assign ( resid 51 and name HB2
	 )
       ( resid 51 and name HA
	 ) 3.4 0.7 0.7 volume=178953247.000 peak=1296 ppm1=2.777 ppm2=4.101

assign ( resid 54 and name HB3
	 )
       ( resid 51 and name HA
	 ) 3.6 0.7 0.7 volume=124814756.250 peak=1297 ppm1=2.053 ppm2=4.106

assign ( resid 51 and name HA
	 )
       ( resid 56 and name HB
	 ) 3.5 0.7 0.7 volume=158588657.750 peak=1298 ppm1=4.103 ppm2=1.648

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HB2
	 ) 3.7 0.7 0.7 volume=106320997.750 peak=1299 ppm1=4.103 ppm2=1.514

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HD2#
	 ) 3.0 0.6 0.6 volume=385383364.500 peak=1300 ppm1=4.104 ppm2=0.702

assign ( resid 81 and name HG2#
	 )
       ( resid 51 and name HA
	 ) 4.0 0.8 0.8 volume=35627789.125 peak=1301 ppm1=0.238 ppm2=4.097

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HB3
	 ) 3.5 0.7 0.7 volume=93323639.500 peak=1303 ppm1=4.106 ppm2=2.706

assign ( resid 51 and name HD#
	 )
       ( resid 51 and name HB2
	 ) 3.5 0.7 0.7 volume=149014921.750 peak=1304 ppm1=7.076 ppm2=2.765

assign ( resid 51 and name HB3
	 )
       ( resid 51 and name HE#
	 ) 4.4 0.9 0.9 volume=36165114.000 peak=1306 ppm1=2.683 ppm2=7.539

assign ( resid 51 and name HB2
	 )
       ( resid 52 and name H
	 ) 4.0 0.8 0.8 volume=62316420.750 peak=1307 ppm1=2.774 ppm2=9.132

assign ( resid 51 and name HB3
	 )
       ( resid 52 and name H
	 ) 4.0 0.8 0.8 volume=62417497.625 peak=1308 ppm1=2.691 ppm2=9.126

assign ( resid 51 and name HB2
	 )
       ( resid 56 and name HG12
	 ) 4.0 0.8 0.8 volume=66421432.000 peak=1309 ppm1=2.775 ppm2=1.364

assign ( resid 51 and name HB3
	 )
       ( resid 52 and name HG2
	 ) 4.2 0.8 0.8 volume=46407068.000 peak=1310 ppm1=2.690 ppm2=1.434

assign ( resid 51 and name HB2
	 )
       ( resid 81 and name HG13
	 ) 3.7 0.7 0.7 volume=104719657.500 peak=1311 ppm1=2.772 ppm2=0.652

assign ( resid 51 and name HB3
	 )
       ( resid 81 and name HG13
	 ) 3.7 0.7 0.7 volume=108771787.000 peak=1312 ppm1=2.693 ppm2=0.660

assign ( resid 51 and name HB2
	 )
       ( resid 81 and name HG2#
	 ) 3.6 0.7 0.7 volume=73192879.500 peak=1314 ppm1=2.777 ppm2=0.240

assign ( resid 52 and name HA
	 )
       ( resid 56 and name HG2#
	 ) 3.5 0.7 0.7 volume=133528602.875 peak=1315 ppm1=4.261 ppm2=0.644

assign ( resid 52 and name HA
	 )
       ( resid 52 and name H
	 ) 3.1 0.6 0.6 volume=281391973.000 peak=1316 ppm1=4.259 ppm2=9.127

assign ( resid 52 and name HA
	 )
       ( resid 55 and name H
	 ) 3.9 0.8 0.8 volume=77792080.750 peak=1317 ppm1=4.262 ppm2=7.421

assign ( resid 52 and name HA
	 )
       ( resid 53 and name H
	 ) 3.7 0.7 0.7 volume=113683208.500 peak=1318 ppm1=4.259 ppm2=7.117

assign ( resid 52 and name HA
	 )
       ( resid 51 and name HB2
	 ) 4.0 0.8 0.8 volume=68119393.875 peak=1319 ppm1=4.256 ppm2=2.757

assign ( resid 52 and name HA
	 )
       ( resid 52 and name HB3
	 ) 2.8 0.6 0.6 volume=508406988.000 peak=1320 ppm1=4.258 ppm2=1.887

assign ( resid 52 and name HA
	 )
       ( resid 52 and name HB2
	 ) 2.8 0.6 0.6 volume=615167391.000 peak=1321 ppm1=4.258 ppm2=1.689

assign ( resid 52 and name HG3
	 )
       ( resid 52 and name HA
	 ) 3.1 0.6 0.6 volume=295319931.500 peak=1322 ppm1=1.465 ppm2=4.263

assign ( resid 52 and name HB3
	 )
       ( resid 52 and name HB2
	 ) 2.2 0.4 0.4 volume=2237598040.000 peak=1323 ppm1=1.889 ppm2=1.692

assign ( resid 52 and name HB3
	 )
       ( resid 52 and name HG3
	 ) 2.8 0.6 0.6 volume=512166819.000 peak=1325 ppm1=1.888 ppm2=1.459

assign ( resid 52 and name HB3
	 )
       ( resid 52 and name HE2
	 ) 4.1 0.8 0.8 volume=58274152.125 peak=1327 ppm1=1.890 ppm2=2.961

assign ( resid 52 and name HB2
	 )
       ( resid 52 and name HE2
	 ) 4.0 0.8 0.8 volume=69705867.000 peak=1328 ppm1=1.696 ppm2=2.964

assign ( resid 52 and name HB2
	 )
       ( resid 51 and name HB2
	 ) 4.2 0.8 0.8 volume=50410032.250 peak=1329 ppm1=1.701 ppm2=2.772

assign ( resid 52 and name HB3
	 )
       ( resid 53 and name H
	 ) 3.6 0.7 0.7 volume=122808827.500 peak=1330 ppm1=1.889 ppm2=7.120

assign ( resid 52 and name HB2
	 )
       ( resid 53 and name H
	 ) 3.4 0.7 0.7 volume=175210873.500 peak=1331 ppm1=1.696 ppm2=7.122

assign ( resid 52 and name HB3
	 )
       ( resid 52 and name H
	 ) 3.0 0.6 0.6 volume=385149211.000 peak=1332 ppm1=1.889 ppm2=9.126

assign ( resid 52 and name HB2
	 )
       ( resid 52 and name H
	 ) 3.0 0.6 0.6 volume=353932048.000 peak=1333 ppm1=1.696 ppm2=9.126

assign ( resid 52 and name HG3
	 )
       ( resid 52 and name HB2
	 ) 2.4 0.5 0.5 volume=1295143572.000 peak=1334 ppm1=1.460 ppm2=1.685

assign ( resid 52 and name HG2
	 )
       ( resid 52 and name HB2
	 ) 2.4 0.5 0.5 volume=1400212102.000 peak=1335 ppm1=1.398 ppm2=1.685

assign ( resid 52 and name HG2
	 )
       ( resid 52 and name HB3
	 ) 3.1 0.6 0.6 volume=292796708.500 peak=1337 ppm1=1.398 ppm2=1.890

assign ( resid 52 and name HG2
	 )
       ( resid 52 and name HA
	 ) 3.5 0.7 0.7 volume=159840179.750 peak=1341 ppm1=1.398 ppm2=4.260

assign ( resid 52 and name HG2
	 )
       ( resid 53 and name H
	 ) 3.8 0.8 0.8 volume=86543716.875 peak=1342 ppm1=1.390 ppm2=7.119

assign ( resid 52 and name HG3
	 )
       ( resid 52 and name H
	 ) 3.8 0.8 0.8 volume=97670223.875 peak=1343 ppm1=1.458 ppm2=9.128

assign ( resid 52 and name HD2
	 )
       ( resid 52 and name HG3
	 ) 2.5 0.5 0.5 volume=1226629848.000 peak=1345 ppm1=1.685 ppm2=1.459

assign ( resid 53 and name HA
	 )
       ( resid 52 and name HB2
	 ) 3.8 0.8 0.8 volume=84622528.000 peak=1349 ppm1=4.567 ppm2=1.680

assign ( resid 53 and name HA
	 )
       ( resid 49 and name HG2#
	 ) 3.8 0.8 0.8 volume=93126435.312 peak=1350 ppm1=4.568 ppm2=1.302

assign ( resid 53 and name HA
	 )
       ( resid 52 and name HA
	 ) 4.1 0.8 0.8 volume=61166583.250 peak=1351 ppm1=4.561 ppm2=4.274

assign ( resid 53 and name HA
	 )
       ( resid 53 and name H
	 ) 3.1 0.6 0.6 volume=329768319.000 peak=1352 ppm1=4.564 ppm2=7.122

assign ( resid 53 and name HA
	 )
       ( resid 55 and name H
	 ) 3.9 0.8 0.8 volume=75463699.500 peak=1353 ppm1=4.563 ppm2=7.416

assign ( resid 53 and name HB3
	 )
       ( resid 53 and name H
	 ) 3.2 0.6 0.6 volume=259997563.500 peak=1354 ppm1=2.755 ppm2=7.122

assign ( resid 53 and name HB3
	 )
       ( resid 54 and name H
	 ) 3.9 0.8 0.8 volume=74565683.375 peak=1355 ppm1=2.748 ppm2=7.762

assign ( resid 53 and name HB3
	 )
       ( resid 50 and name H
	 ) 4.0 0.8 0.8 volume=62680669.125 peak=1356 ppm1=2.754 ppm2=8.719

assign ( resid 54 and name HA
	 )
       ( resid 55 and name H
	 ) 3.9 0.8 0.8 volume=76654577.750 peak=1358 ppm1=4.314 ppm2=7.410

assign ( resid 54 and name HA
	 )
       ( resid 53 and name H
	 ) 4.3 0.9 0.9 volume=43617708.750 peak=1359 ppm1=4.314 ppm2=7.125

assign ( resid 54 and name HG
	 )
       ( resid 54 and name HB3
	 ) 3.3 0.7 0.7 volume=221945887.000 peak=1360 ppm1=1.629 ppm2=2.049

assign ( resid 54 and name HB3
	 )
       ( resid 54 and name HB2
	 ) 3.0 0.6 0.6 volume=405385890.000 peak=1361 ppm1=2.049 ppm2=1.526

assign ( resid 54 and name HB3
	 )
       ( resid 54 and name HA
	 ) 3.4 0.7 0.7 volume=165335629.250 peak=1364 ppm1=2.049 ppm2=4.309

assign ( resid 54 and name HB2
	 )
       ( resid 54 and name HA
	 ) 3.3 0.7 0.7 volume=205523576.500 peak=1366 ppm1=1.527 ppm2=4.307

assign ( resid 54 and name HB3
	 )
       ( resid 55 and name H
	 ) 4.2 0.8 0.8 volume=47903936.562 peak=1368 ppm1=2.053 ppm2=7.417

assign ( resid 54 and name HB3
	 )
       ( resid 51 and name HD#
	 ) 4.3 0.9 0.9 volume=43465800.062 peak=1369 ppm1=2.053 ppm2=7.085

assign ( resid 54 and name HG
	 )
       ( resid 54 and name HB2
	 ) 3.4 0.7 0.7 volume=184203681.750 peak=1371 ppm1=1.629 ppm2=1.530

assign ( resid 54 and name HD2#
	 )
       ( resid 54 and name HA
	 ) 3.3 0.7 0.7 volume=224181491.000 peak=1374 ppm1=0.707 ppm2=4.309

assign ( resid 54 and name HD2#
	 )
       ( resid 45 and name HG13
	 ) 3.4 0.7 0.7 volume=177614487.000 peak=1375 ppm1=0.700 ppm2=1.399

assign ( resid 54 and name HD2#
	 )
       ( resid 56 and name H
	 ) 3.6 0.7 0.7 volume=132383862.250 peak=1376 ppm1=0.706 ppm2=7.551

assign ( resid 54 and name HD2#
	 )
       ( resid 55 and name H
	 ) 4.4 0.9 0.9 volume=37833905.656 peak=1377 ppm1=0.703 ppm2=7.420

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HB3
	 ) 3.0 0.6 0.6 volume=366998101.000 peak=1378 ppm1=0.851 ppm2=2.049

assign ( resid 54 and name HG
	 )
       ( resid 54 and name HD1#
	 ) 2.6 0.5 0.5 volume=856373575.000 peak=1379 ppm1=1.621 ppm2=0.826

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HA
	 ) 2.5 0.5 0.5 volume=1030815636.000 peak=1380 ppm1=0.852 ppm2=4.308

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name H
	 ) 3.4 0.7 0.7 volume=192428769.750 peak=1381 ppm1=0.850 ppm2=7.749

assign ( resid 54 and name HD1#
	 )
       ( resid 56 and name H
	 ) 4.1 0.8 0.8 volume=54916307.077 peak=1382 ppm1=0.853 ppm2=7.536

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HD2#
	 ) 2.1 0.4 0.4 volume=2857385020.000 peak=1383 ppm1=0.849 ppm2=0.713

assign ( resid 55 and name HA3
	 )
       ( resid 37 and name HD2#
	 ) 3.6 0.7 0.7 volume=131898322.750 peak=1384 ppm1=4.409 ppm2=0.730

assign ( resid 55 and name HA2
	 )
       ( resid 37 and name HD1#
	 ) 3.6 0.7 0.7 volume=118421335.250 peak=1385 ppm1=3.679 ppm2=0.724

assign ( resid 55 and name HA3
	 )
       ( resid 55 and name HA2
	 ) 2.6 0.5 0.5 volume=882251246.000 peak=1386 ppm1=4.409 ppm2=3.679

assign ( resid 55 and name HA3
	 )
       ( resid 55 and name H
	 ) 3.2 0.6 0.6 volume=237976363.000 peak=1388 ppm1=4.411 ppm2=7.416

assign ( resid 55 and name HA2
	 )
       ( resid 55 and name H
	 ) 3.1 0.6 0.6 volume=305204049.500 peak=1389 ppm1=3.680 ppm2=7.412

assign ( resid 55 and name HA3
	 )
       ( resid 54 and name H
	 ) 4.2 0.8 0.8 volume=46630050.375 peak=1390 ppm1=4.416 ppm2=7.775

assign ( resid 56 and name HB
	 )
       ( resid 64 and name HD1#
	 ) 3.8 0.8 0.8 volume=45908114.125 peak=1391 ppm1=1.656 ppm2=0.386

assign ( resid 56 and name HB
	 )
       ( resid 56 and name HA
	 ) 3.7 0.7 0.7 volume=111386422.000 peak=1393 ppm1=1.665 ppm2=3.967

assign ( resid 56 and name HB
	 )
       ( resid 55 and name H
	 ) 4.2 0.8 0.8 volume=46586788.188 peak=1394 ppm1=1.667 ppm2=7.412

assign ( resid 56 and name HG13
	 )
       ( resid 56 and name HB
	 ) 3.3 0.7 0.7 volume=207638306.500 peak=1396 ppm1=1.407 ppm2=1.663

assign ( resid 56 and name HG12
	 )
       ( resid 56 and name HB
	 ) 3.4 0.7 0.7 volume=192628564.500 peak=1397 ppm1=1.343 ppm2=1.664

assign ( resid 56 and name HG13
	 )
       ( resid 56 and name HA
	 ) 4.2 0.8 0.8 volume=48494579.500 peak=1398 ppm1=1.410 ppm2=3.963

assign ( resid 56 and name HG12
	 )
       ( resid 64 and name HD1#
	 ) 4.0 0.8 0.8 volume=69597323.500 peak=1399 ppm1=1.338 ppm2=0.394

assign ( resid 81 and name HG2#
	 )
       ( resid 81 and name HB
	 ) 2.8 0.6 0.6 volume=587133042.000 peak=1400 ppm1=0.237 ppm2=1.546

assign ( resid 81 and name HG2#
	 )
       ( resid 61 and name HB#
	 ) 3.0 0.6 0.6 volume=406583140.500 peak=1401 ppm1=0.237 ppm2=1.181

assign ( resid 81 and name HG2#
	 )
       ( resid 90 and name HD2#
	 ) 3.4 0.7 0.7 volume=176955851.500 peak=1403 ppm1=0.237 ppm2=0.942

assign ( resid 81 and name HG2#
	 )
       ( resid 90 and name HB2
	 ) 4.3 0.9 0.9 volume=44477595.750 peak=1405 ppm1=0.236 ppm2=1.906

assign ( resid 81 and name HG2#
	 )
       ( resid 64 and name HB3
	 ) 4.4 0.9 0.9 volume=39796699.812 peak=1406 ppm1=0.234 ppm2=1.802

assign ( resid 81 and name HG2#
	 )
       ( resid 56 and name HB
	 ) 3.5 0.7 0.7 volume=139246855.500 peak=1407 ppm1=0.237 ppm2=1.658

assign ( resid 81 and name HG2#
	 )
       ( resid 51 and name HB3
	 ) 3.5 0.7 0.7 volume=144766160.750 peak=1409 ppm1=0.237 ppm2=2.700

assign ( resid 81 and name HG2#
	 )
       ( resid 56 and name HA
	 ) 4.3 0.9 0.9 volume=44840771.000 peak=1412 ppm1=0.238 ppm2=3.980

assign ( resid 81 and name HG2#
	 )
       ( resid 81 and name HA
	 ) 3.0 0.6 0.6 volume=410846021.500 peak=1413 ppm1=0.237 ppm2=3.798

assign ( resid 81 and name HG2#
	 )
       ( resid 85 and name HA
	 ) 4.2 0.8 0.8 volume=43697561.188 peak=1415 ppm1=0.238 ppm2=5.117

assign ( resid 81 and name HG2#
	 )
       ( resid 51 and name HE#
	 ) 3.8 0.8 0.8 volume=86484796.125 peak=1416 ppm1=0.237 ppm2=7.558

assign ( resid 81 and name HG2#
	 )
       ( resid 82 and name H
	 ) 4.0 0.8 0.8 volume=71320825.750 peak=1417 ppm1=0.238 ppm2=7.462

assign ( resid 81 and name HG2#
	 )
       ( resid 84 and name H
	 ) 4.5 0.9 0.9 volume=31696032.688 peak=1418 ppm1=0.237 ppm2=7.321

assign ( resid 81 and name HG2#
	 )
       ( resid 82 and name HE#
	 ) 4.6 0.9 0.9 volume=28860524.766 peak=1419 ppm1=0.235 ppm2=7.193

assign ( resid 81 and name HG2#
	 )
       ( resid 81 and name H
	 ) 3.3 0.7 0.7 volume=196714895.250 peak=1421 ppm1=0.237 ppm2=8.065

assign ( resid 81 and name HG2#
	 )
       ( resid 58 and name H
	 ) 4.4 0.9 0.9 volume=37777622.156 peak=1422 ppm1=0.235 ppm2=8.597

assign ( resid 56 and name HG2#
	 )
       ( resid 81 and name HG2#
	 ) 3.0 0.6 0.6 volume=405903770.500 peak=1423 ppm1=0.633 ppm2=0.242

assign ( resid 56 and name HG2#
	 )
       ( resid 81 and name HD1#
	 ) 3.2 0.6 0.6 volume=238084471.000 peak=1424 ppm1=0.636 ppm2=0.127

assign ( resid 56 and name HG2#
	 )
       ( resid 64 and name HD1#
	 ) 3.6 0.7 0.7 volume=131952883.500 peak=1425 ppm1=0.635 ppm2=0.367

assign ( resid 56 and name HG2#
	 )
       ( resid 64 and name HB3
	 ) 4.0 0.8 0.8 volume=67408808.344 peak=1426 ppm1=0.636 ppm2=1.798

assign ( resid 56 and name HG2#
	 )
       ( resid 56 and name HB
	 ) 2.8 0.6 0.6 volume=608357469.000 peak=1427 ppm1=0.635 ppm2=1.665

assign ( resid 56 and name HG2#
	 )
       ( resid 81 and name HB
	 ) 3.9 0.8 0.8 volume=77119751.875 peak=1428 ppm1=0.631 ppm2=1.547

assign ( resid 56 and name HG2#
	 )
       ( resid 56 and name HG12
	 ) 2.9 0.6 0.6 volume=445039235.500 peak=1429 ppm1=0.635 ppm2=1.346

assign ( resid 56 and name HG2#
	 )
       ( resid 54 and name HB3
	 ) 4.2 0.8 0.8 volume=52227488.938 peak=1431 ppm1=0.635 ppm2=2.047

assign ( resid 56 and name HG2#
	 )
       ( resid 51 and name HB2
	 ) 3.5 0.7 0.7 volume=147261170.500 peak=1432 ppm1=0.633 ppm2=2.776

assign ( resid 56 and name HG2#
	 )
       ( resid 51 and name HB3
	 ) 3.7 0.7 0.7 volume=111780640.000 peak=1433 ppm1=0.637 ppm2=2.681

assign ( resid 56 and name HG2#
	 )
       ( resid 60 and name HB
	 ) 3.4 0.7 0.7 volume=167249301.750 peak=1435 ppm1=0.635 ppm2=4.125

assign ( resid 56 and name HG2#
	 )
       ( resid 56 and name HA
	 ) 3.0 0.6 0.6 volume=342874964.500 peak=1436 ppm1=0.635 ppm2=3.966

assign ( resid 56 and name HG2#
	 )
       ( resid 61 and name HA
	 ) 2.9 0.6 0.6 volume=417129806.000 peak=1437 ppm1=0.635 ppm2=3.625

assign ( resid 56 and name HG2#
	 )
       ( resid 55 and name H
	 ) 4.5 0.9 0.9 volume=33663655.812 peak=1438 ppm1=0.643 ppm2=7.409

assign ( resid 56 and name HG2#
	 )
       ( resid 51 and name HD#
	 ) 3.6 0.7 0.7 volume=121663975.375 peak=1439 ppm1=0.637 ppm2=7.084

assign ( resid 56 and name HG2#
	 )
       ( resid 52 and name H
	 ) 4.5 0.9 0.9 volume=32921079.062 peak=1440 ppm1=0.632 ppm2=9.139

assign ( resid 57 and name HB3
	 )
       ( resid 57 and name HB2
	 ) 2.9 0.6 0.6 volume=469236147.000 peak=1442 ppm1=3.195 ppm2=2.615

assign ( resid 58 and name HA
	 )
       ( resid 61 and name H
	 ) 4.1 0.8 0.8 volume=54511721.562 peak=1447 ppm1=4.100 ppm2=8.946

assign ( resid 58 and name HA
	 )
       ( resid 58 and name HB3
	 ) 2.7 0.5 0.5 volume=655525060.500 peak=1449 ppm1=4.100 ppm2=3.943

assign ( resid 58 and name HA
	 )
       ( resid 58 and name HB2
	 ) 2.7 0.5 0.5 volume=688226535.000 peak=1450 ppm1=4.101 ppm2=3.919

assign ( resid 58 and name HB3
	 )
       ( resid 59 and name HG
	 ) 4.2 0.8 0.8 volume=46922054.188 peak=1451 ppm1=3.937 ppm2=1.669

assign ( resid 58 and name HB3
	 )
       ( resid 59 and name H
	 ) 3.9 0.8 0.8 volume=75909604.750 peak=1452 ppm1=3.942 ppm2=8.210

assign ( resid 59 and name HA
	 )
       ( resid 58 and name HA
	 ) 3.8 0.8 0.8 volume=94670192.500 peak=1453 ppm1=4.366 ppm2=4.085

assign ( resid 59 and name HA
	 )
       ( resid 63 and name H
	 ) 4.4 0.9 0.9 volume=36026523.562 peak=1454 ppm1=4.365 ppm2=7.473

assign ( resid 59 and name HA
	 )
       ( resid 62 and name H
	 ) 3.7 0.7 0.7 volume=108427065.125 peak=1455 ppm1=4.361 ppm2=7.141

assign ( resid 86 and name HA
	 )
       ( resid 86 and name H
	 ) 3.9 0.8 0.8 volume=77797069.000 peak=1456 ppm1=4.366 ppm2=7.365

assign ( resid 59 and name HA
	 )
       ( resid 60 and name H
	 ) 3.9 0.8 0.8 volume=73999349.875 peak=1457 ppm1=4.357 ppm2=8.847

assign ( resid 86 and name HA
	 )
       ( resid 87 and name HD2
	 ) 3.1 0.6 0.6 volume=151231123.500 peak=1458 ppm1=4.365 ppm2=3.690

assign ( resid 59 and name HB2
	 )
       ( resid 59 and name HA
	 ) 3.0 0.6 0.6 volume=352586593.000 peak=1459 ppm1=1.968 ppm2=4.360

assign ( resid 59 and name HB3
	 )
       ( resid 59 and name HA
	 ) 2.7 0.5 0.5 volume=633073777.000 peak=1461 ppm1=1.660 ppm2=4.358

assign ( resid 59 and name HD1#
	 )
       ( resid 59 and name HA
	 ) 2.7 0.5 0.5 volume=575030635.000 peak=1462 ppm1=0.860 ppm2=4.361

assign ( resid 59 and name HA
	 )
       ( resid 59 and name HD2#
	 ) 2.8 0.6 0.6 volume=521544571.000 peak=1463 ppm1=4.365 ppm2=0.942

assign ( resid 59 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 4.3 0.9 0.9 volume=44934776.359 peak=1464 ppm1=4.367 ppm2=1.304

assign ( resid 59 and name HB3
	 )
       ( resid 59 and name HB2
	 ) 2.3 0.5 0.5 volume=2087705492.000 peak=1466 ppm1=1.660 ppm2=1.969

assign ( resid 94 and name HB3
	 )
       ( resid 94 and name HA
	 ) 3.1 0.6 0.6 volume=186481351.000 peak=1467 ppm1=1.128 ppm2=3.484

assign ( resid 59 and name HG
	 )
       ( resid 59 and name HA
	 ) 3.1 0.6 0.6 volume=296274976.500 peak=1468 ppm1=1.658 ppm2=4.361

assign ( resid 59 and name HG
	 )
       ( resid 59 and name HB2
	 ) 2.6 0.5 0.5 volume=904500714.000 peak=1469 ppm1=1.657 ppm2=1.964

assign ( resid 59 and name HG
	 )
       ( resid 59 and name HD1#
	 ) 2.6 0.5 0.5 volume=811614528.000 peak=1470 ppm1=1.657 ppm2=0.872

assign ( resid 60 and name HB
	 )
       ( resid 60 and name H
	 ) 3.8 0.8 0.8 volume=84943739.875 peak=1472 ppm1=4.137 ppm2=8.843

assign ( resid 60 and name HB
	 )
       ( resid 64 and name H
	 ) 4.5 0.9 0.9 volume=33389205.188 peak=1473 ppm1=4.137 ppm2=8.589

assign ( resid 60 and name HB
	 )
       ( resid 57 and name H
	 ) 4.0 0.8 0.8 volume=71232537.625 peak=1474 ppm1=4.135 ppm2=7.983

assign ( resid 60 and name HB
	 )
       ( resid 63 and name H
	 ) 4.2 0.8 0.8 volume=48947160.375 peak=1475 ppm1=4.139 ppm2=7.466

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HB
	 ) 2.9 0.6 0.6 volume=489642346.000 peak=1476 ppm1=4.007 ppm2=4.135

assign ( resid 60 and name HB
	 )
       ( resid 59 and name HB3
	 ) 4.1 0.8 0.8 volume=56235665.500 peak=1477 ppm1=4.133 ppm2=1.671

assign ( resid 56 and name HD1#
	 )
       ( resid 60 and name HB
	 ) 2.9 0.6 0.6 volume=420927947.000 peak=1480 ppm1=0.668 ppm2=4.126

assign ( resid 60 and name HB
	 )
       ( resid 37 and name HD2#
	 ) 3.5 0.7 0.7 volume=151146230.500 peak=1481 ppm1=4.138 ppm2=0.741

assign ( resid 60 and name HA
	 )
       ( resid 59 and name HA
	 ) 4.5 0.9 0.9 volume=33874070.062 peak=1483 ppm1=4.010 ppm2=4.363

assign ( resid 60 and name HA
	 )
       ( resid 63 and name H
	 ) 3.3 0.7 0.7 volume=207553606.000 peak=1484 ppm1=4.005 ppm2=7.470

assign ( resid 60 and name HA
	 )
       ( resid 60 and name H
	 ) 3.6 0.7 0.7 volume=135551132.000 peak=1485 ppm1=4.009 ppm2=8.840

assign ( resid 60 and name HA
	 )
       ( resid 64 and name H
	 ) 4.0 0.8 0.8 volume=64385364.000 peak=1486 ppm1=4.007 ppm2=8.592

assign ( resid 60 and name HA
	 )
       ( resid 64 and name HB3
	 ) 4.1 0.8 0.8 volume=53471075.500 peak=1487 ppm1=4.010 ppm2=1.760

assign ( resid 60 and name HA
	 )
       ( resid 59 and name HB3
	 ) 3.9 0.8 0.8 volume=78872120.250 peak=1488 ppm1=4.009 ppm2=1.666

assign ( resid 60 and name HA
	 )
       ( resid 61 and name HB#
	 ) 4.2 0.8 0.8 volume=46321737.812 peak=1490 ppm1=4.011 ppm2=1.188

assign ( resid 60 and name HG2#
	 )
       ( resid 59 and name HB3
	 ) 3.3 0.7 0.7 volume=206627796.500 peak=1491 ppm1=1.314 ppm2=1.671

assign ( resid 60 and name HG2#
	 )
       ( resid 33 and name HA
	 or resid 61 and name HA
	 ) 4.2 0.8 0.8 volume=48527569.705 peak=1493 ppm1=1.317 ppm2=3.622

assign ( resid 60 and name HG2#
	 )
       ( resid 60 and name H
	 ) 3.1 0.6 0.6 volume=304085002.000 peak=1494 ppm1=1.314 ppm2=8.843

assign ( resid 56 and name HG2#
	 )
       ( resid 61 and name HB#
	 ) 2.6 0.5 0.5 volume=874846090.000 peak=1495 ppm1=0.634 ppm2=1.182

assign ( resid 61 and name HB#
	 )
       ( resid 81 and name HD1#
	 ) 3.2 0.6 0.6 volume=261554633.500 peak=1497 ppm1=1.186 ppm2=0.130

assign ( resid 61 and name HB#
	 )
       ( resid 64 and name HB2
	 ) 3.4 0.7 0.7 volume=175060028.750 peak=1498 ppm1=1.182 ppm2=1.381

assign ( resid 61 and name HB#
	 )
       ( resid 64 and name HB3
	 ) 3.5 0.7 0.7 volume=159115383.500 peak=1499 ppm1=1.182 ppm2=1.788

assign ( resid 61 and name HB#
	 )
       ( resid 81 and name HB
	 ) 3.1 0.6 0.6 volume=294042212.500 peak=1500 ppm1=1.182 ppm2=1.546

assign ( resid 61 and name HB#
	 )
       ( resid 58 and name HA
	 ) 3.1 0.6 0.6 volume=307630082.500 peak=1501 ppm1=1.182 ppm2=4.097

assign ( resid 61 and name HB#
	 )
       ( resid 58 and name HB2
	 ) 3.8 0.8 0.8 volume=95294543.875 peak=1503 ppm1=1.188 ppm2=3.916

assign ( resid 61 and name HB#
	 )
       ( resid 81 and name HA
	 ) 4.4 0.9 0.9 volume=39468949.781 peak=1504 ppm1=1.187 ppm2=3.791

assign ( resid 61 and name HB#
	 )
       ( resid 63 and name H
	 ) 4.1 0.8 0.8 volume=59439602.312 peak=1506 ppm1=1.172 ppm2=7.462

assign ( resid 61 and name HB#
	 )
       ( resid 62 and name H
	 ) 3.0 0.6 0.6 volume=406523015.000 peak=1507 ppm1=1.184 ppm2=7.136

assign ( resid 61 and name HB#
	 )
       ( resid 61 and name H
	 ) 2.7 0.5 0.5 volume=657783678.000 peak=1508 ppm1=1.182 ppm2=8.938

assign ( resid 61 and name HB#
	 )
       ( resid 64 and name H
	 ) 4.6 0.9 0.9 volume=28970912.395 peak=1509 ppm1=1.186 ppm2=8.589

assign ( resid 62 and name HA
	 )
       ( resid 66 and name H
	 ) 4.5 0.9 0.9 volume=34008274.938 peak=1510 ppm1=4.084 ppm2=8.819

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HB3
	 ) 2.8 0.6 0.6 volume=338417696.000 peak=1511 ppm1=4.083 ppm2=1.795

assign ( resid 62 and name HB2
	 )
       ( resid 62 and name HA
	 ) 2.8 0.6 0.6 volume=334319272.000 peak=1512 ppm1=1.836 ppm2=4.080

assign ( resid 59 and name HA
	 )
       ( resid 62 and name HB3
	 ) 3.4 0.7 0.7 volume=96647760.000 peak=1513 ppm1=4.364 ppm2=1.832

assign ( resid 62 and name HB2
	 )
       ( resid 59 and name HA
	 ) 3.8 0.8 0.8 volume=89375517.500 peak=1514 ppm1=1.838 ppm2=4.358

assign ( resid 62 and name HB2
	 )
       ( resid 62 and name H
	 ) 3.0 0.6 0.6 volume=372682282.000 peak=1515 ppm1=1.834 ppm2=7.143

assign ( resid 62 and name HB3
	 )
       ( resid 62 and name H
	 ) 3.0 0.6 0.6 volume=397545176.000 peak=1516 ppm1=1.791 ppm2=7.142

assign ( resid 62 and name HB2
	 )
       ( resid 63 and name H
	 ) 3.4 0.7 0.7 volume=163968795.000 peak=1517 ppm1=1.835 ppm2=7.473

assign ( resid 62 and name HB3
	 )
       ( resid 63 and name H
	 ) 3.4 0.7 0.7 volume=170811038.250 peak=1518 ppm1=1.792 ppm2=7.473

assign ( resid 62 and name HB2
	 )
       ( resid 61 and name HB#
	 ) 4.1 0.8 0.8 volume=53680388.938 peak=1519 ppm1=1.836 ppm2=1.185

assign ( resid 62 and name HB2
	 )
       ( resid 62 and name HD1#
	 ) 2.9 0.6 0.6 volume=495029973.000 peak=1520 ppm1=1.836 ppm2=0.949

assign ( resid 62 and name HD1#
	 )
       ( resid 62 and name HB3
	 ) 2.7 0.5 0.5 volume=505682330.000 peak=1521 ppm1=0.988 ppm2=1.816

assign ( resid 62 and name HB2
	 )
       ( resid 65 and name HB2
	 ) 4.0 0.8 0.8 volume=65496716.125 peak=1522 ppm1=1.839 ppm2=2.033

assign ( resid 62 and name HB3
	 )
       ( resid 65 and name HB2
	 ) 4.0 0.8 0.8 volume=65449411.625 peak=1523 ppm1=1.791 ppm2=2.041

assign ( resid 63 and name HB2
	 )
       ( resid 64 and name H
	 ) 3.2 0.6 0.6 volume=244075580.500 peak=1525 ppm1=2.030 ppm2=8.586

assign ( resid 63 and name HB2
	 )
       ( resid 63 and name HB3
	 ) 2.5 0.5 0.5 volume=1058827668.000 peak=1527 ppm1=2.035 ppm2=2.366

assign ( resid 63 and name HG2
	 )
       ( resid 63 and name HB2
	 ) 2.5 0.5 0.5 volume=1008288916.000 peak=1528 ppm1=2.204 ppm2=2.029

assign ( resid 60 and name HG2#
	 )
       ( resid 63 and name HB2
	 ) 3.1 0.6 0.6 volume=208754453.000 peak=1529 ppm1=1.315 ppm2=2.005

assign ( resid 63 and name HB2
	 )
       ( resid 62 and name HD2#
	 ) 2.9 0.6 0.6 volume=462646988.000 peak=1530 ppm1=2.030 ppm2=0.910

assign ( resid 62 and name HG
	 )
       ( resid 62 and name HA
	 ) 3.0 0.6 0.6 volume=290024390.000 peak=1531 ppm1=1.721 ppm2=4.085

assign ( resid 62 and name HG
	 )
       ( resid 62 and name H
	 ) 3.2 0.6 0.6 volume=252057772.000 peak=1532 ppm1=1.728 ppm2=7.143

assign ( resid 62 and name HG
	 )
       ( resid 66 and name HD21
	 ) 3.8 0.8 0.8 volume=90672340.625 peak=1533 ppm1=1.728 ppm2=6.881

assign ( resid 62 and name HG
	 )
       ( resid 66 and name HD22
	 ) 4.0 0.8 0.8 volume=65902137.000 peak=1534 ppm1=1.728 ppm2=7.766

assign ( resid 62 and name HG
	 )
       ( resid 63 and name H
	 ) 3.8 0.8 0.8 volume=86706794.875 peak=1535 ppm1=1.726 ppm2=7.473

assign ( resid 62 and name HG
	 )
       ( resid 59 and name HA
	 ) 3.9 0.8 0.8 volume=71954989.125 peak=1536 ppm1=1.727 ppm2=4.361

assign ( resid 62 and name HG
	 )
       ( resid 62 and name HB2
	 ) 2.6 0.5 0.5 volume=958453908.000 peak=1537 ppm1=1.728 ppm2=1.830

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name HA
	 ) 2.9 0.6 0.6 volume=478923324.500 peak=1541 ppm1=0.931 ppm2=4.077

assign ( resid 62 and name HD2#
	 )
       ( resid 78 and name HB2
	 ) 3.4 0.7 0.7 volume=166110739.875 peak=1543 ppm1=0.933 ppm2=2.303

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name HB2
	 ) 2.7 0.5 0.5 volume=704241126.000 peak=1544 ppm1=0.929 ppm2=1.822

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name HG
	 ) 2.5 0.5 0.5 volume=996503027.000 peak=1545 ppm1=0.930 ppm2=1.745

assign ( resid 62 and name HD2#
	 )
       ( resid 62 and name H
	 ) 3.6 0.7 0.7 volume=123385165.000 peak=1546 ppm1=0.924 ppm2=7.137

assign ( resid 63 and name HA
	 )
       ( resid 63 and name H
	 ) 3.2 0.6 0.6 volume=245870235.000 peak=1553 ppm1=4.078 ppm2=7.471

assign ( resid 63 and name HA
	 )
       ( resid 66 and name HD21
	 ) 3.8 0.8 0.8 volume=90228859.750 peak=1554 ppm1=4.076 ppm2=6.881

assign ( resid 63 and name HA
	 )
       ( resid 65 and name H
	 ) 3.4 0.7 0.7 volume=164647862.500 peak=1555 ppm1=4.078 ppm2=7.771

assign ( resid 63 and name HA
	 )
       ( resid 64 and name H
	 ) 4.0 0.8 0.8 volume=71533971.750 peak=1556 ppm1=4.079 ppm2=8.575

assign ( resid 63 and name HA
	 )
       ( resid 66 and name H
	 ) 3.7 0.7 0.7 volume=109344073.375 peak=1557 ppm1=4.081 ppm2=8.816

assign ( resid 63 and name HG3
	 )
       ( resid 63 and name HB2
	 ) 2.5 0.5 0.5 volume=1072601682.000 peak=1558 ppm1=2.335 ppm2=2.029

assign ( resid 63 and name HG3
	 )
       ( resid 63 and name HG2
	 ) 2.0 0.3 0.4 volume=3160080436.000 peak=1560 ppm1=2.335 ppm2=2.203

assign ( resid 60 and name HG2#
	 )
       ( resid 63 and name HG3
	 ) 3.6 0.7 0.7 volume=88061142.000 peak=1562 ppm1=1.319 ppm2=2.332

assign ( resid 63 and name HG2
	 )
       ( resid 60 and name HG2#
	 ) 3.9 0.8 0.8 volume=82473457.000 peak=1563 ppm1=2.203 ppm2=1.324

assign ( resid 63 and name HG2
	 )
       ( resid 35 and name HG2#
	 ) 4.6 0.9 0.9 volume=29536361.656 peak=1564 ppm1=2.202 ppm2=1.204

assign ( resid 63 and name HG3
	 )
       ( resid 36 and name HG1#
	 ) 3.2 0.6 0.6 volume=233040785.000 peak=1565 ppm1=2.336 ppm2=0.919

assign ( resid 63 and name HG2
	 )
       ( resid 36 and name HG1#
	 ) 3.3 0.7 0.7 volume=230602703.000 peak=1566 ppm1=2.204 ppm2=0.921

assign ( resid 63 and name HG3
	 )
       ( resid 63 and name HA
	 ) 3.2 0.6 0.6 volume=265036457.500 peak=1567 ppm1=2.335 ppm2=4.077

assign ( resid 63 and name HG2
	 )
       ( resid 63 and name HA
	 ) 3.2 0.6 0.6 volume=260720443.000 peak=1568 ppm1=2.203 ppm2=4.072

assign ( resid 63 and name HG2
	 )
       ( resid 60 and name HA
	 ) 3.5 0.7 0.7 volume=146901451.750 peak=1569 ppm1=2.206 ppm2=4.006

assign ( resid 63 and name HG3
	 )
       ( resid 60 and name HA
	 ) 3.4 0.7 0.7 volume=162078674.500 peak=1570 ppm1=2.336 ppm2=4.005

assign ( resid 63 and name HG3
	 )
       ( resid 63 and name H
	 ) 3.3 0.7 0.7 volume=222999428.500 peak=1571 ppm1=2.335 ppm2=7.467

assign ( resid 63 and name HG2
	 )
       ( resid 63 and name H
	 ) 3.3 0.7 0.7 volume=222538773.500 peak=1572 ppm1=2.203 ppm2=7.469

assign ( resid 63 and name HG3
	 )
       ( resid 65 and name H
	 ) 4.4 0.9 0.9 volume=37110637.430 peak=1573 ppm1=2.331 ppm2=7.755

assign ( resid 63 and name HG2
	 )
       ( resid 64 and name H
	 ) 4.1 0.8 0.8 volume=60159155.750 peak=1574 ppm1=2.202 ppm2=8.578

assign ( resid 63 and name HG3
	 )
       ( resid 64 and name H
	 ) 4.0 0.8 0.8 volume=66230368.312 peak=1575 ppm1=2.331 ppm2=8.578

assign ( resid 64 and name HG
	 )
       ( resid 64 and name HA
	 ) 3.2 0.6 0.6 volume=233058357.500 peak=1577 ppm1=1.225 ppm2=3.933

assign ( resid 64 and name HA
	 )
       ( resid 64 and name HD2#
	 ) 2.7 0.5 0.5 volume=600226116.000 peak=1578 ppm1=3.920 ppm2=0.733

assign ( resid 64 and name HA
	 )
       ( resid 65 and name HA
	 ) 3.9 0.8 0.8 volume=75532895.875 peak=1581 ppm1=3.917 ppm2=3.631

assign ( resid 64 and name HA
	 )
       ( resid 67 and name HB
	 ) 3.4 0.7 0.7 volume=163769350.000 peak=1582 ppm1=3.917 ppm2=4.225

assign ( resid 64 and name HA
	 )
       ( resid 64 and name H
	 ) 3.4 0.7 0.7 volume=179784481.000 peak=1583 ppm1=3.922 ppm2=8.584

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HB3
	 ) 3.0 0.6 0.6 volume=350362281.500 peak=1584 ppm1=1.357 ppm2=1.790

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HA
	 ) 3.1 0.6 0.6 volume=146104042.250 peak=1592 ppm1=1.358 ppm2=3.918

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name H
	 ) 3.3 0.7 0.7 volume=197512132.750 peak=1593 ppm1=1.361 ppm2=8.595

assign ( resid 64 and name HB3
	 )
       ( resid 64 and name HG
	 ) 3.2 0.6 0.6 volume=211482643.500 peak=1594 ppm1=1.792 ppm2=1.217

assign ( resid 64 and name HG
	 )
       ( resid 64 and name HB2
	 ) 3.1 0.6 0.6 volume=282729740.000 peak=1595 ppm1=1.221 ppm2=1.358

assign ( resid 64 and name HG
	 )
       ( resid 64 and name HD2#
	 ) 2.5 0.5 0.5 volume=637381273.000 peak=1596 ppm1=1.219 ppm2=0.731

assign ( resid 64 and name HG
	 )
       ( resid 90 and name HD1#
	 ) 4.1 0.8 0.8 volume=58220814.438 peak=1599 ppm1=1.220 ppm2=0.849

assign ( resid 64 and name HB3
	 )
       ( resid 64 and name HD1#
	 ) 3.0 0.6 0.6 volume=351684033.500 peak=1600 ppm1=1.789 ppm2=0.389

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HD1#
	 ) 2.8 0.6 0.6 volume=582586161.000 peak=1601 ppm1=1.363 ppm2=0.390

assign ( resid 64 and name HG
	 )
       ( resid 64 and name HD1#
	 ) 2.7 0.5 0.5 volume=762878010.000 peak=1602 ppm1=1.217 ppm2=0.388

assign ( resid 64 and name HD1#
	 )
       ( resid 81 and name HB
	 ) 3.9 0.8 0.8 volume=72020178.500 peak=1605 ppm1=0.391 ppm2=1.569

assign ( resid 64 and name HD1#
	 )
       ( resid 90 and name HB3
	 ) 4.0 0.8 0.8 volume=68209004.625 peak=1611 ppm1=0.388 ppm2=2.129

assign ( resid 64 and name HD1#
	 )
       ( resid 51 and name HA
	 or resid 62 and name HA
	 ) 4.0 0.8 0.8 volume=65626823.188 peak=1612 ppm1=0.390 ppm2=4.105

assign ( resid 64 and name HD1#
	 )
       ( resid 33 and name HB
	 ) 4.2 0.8 0.8 volume=49281626.844 peak=1613 ppm1=0.388 ppm2=4.249

assign ( resid 64 and name HD1#
	 )
       ( resid 64 and name HA
	 ) 3.4 0.7 0.7 volume=172899162.250 peak=1614 ppm1=0.389 ppm2=3.922

assign ( resid 64 and name HD1#
	 )
       ( resid 81 and name HA
	 ) 4.5 0.9 0.9 volume=31665588.234 peak=1615 ppm1=0.384 ppm2=3.811

assign ( resid 64 and name HD1#
	 )
       ( resid 65 and name H
	 ) 4.1 0.8 0.8 volume=56944855.000 peak=1617 ppm1=0.388 ppm2=7.751

assign ( resid 51 and name HZ
	 )
       ( resid 64 and name HD1#
	 ) 3.9 0.8 0.8 volume=77225368.000 peak=1620 ppm1=6.838 ppm2=0.385

assign ( resid 64 and name HD1#
	 )
       ( resid 33 and name H
	 ) 4.2 0.8 0.8 volume=47041069.250 peak=1621 ppm1=0.389 ppm2=8.144

assign ( resid 64 and name HD1#
	 )
       ( resid 64 and name H
	 ) 3.7 0.7 0.7 volume=111025689.000 peak=1622 ppm1=0.388 ppm2=8.586

assign ( resid 64 and name HD2#
	 )
       ( resid 64 and name HB2
	 ) 2.4 0.5 0.5 volume=1392525746.000 peak=1627 ppm1=0.737 ppm2=1.362

assign ( resid 64 and name HD2#
	 )
       ( resid 64 and name HD1#
	 ) 2.4 0.5 0.5 volume=1285523346.000 peak=1629 ppm1=0.737 ppm2=0.388

assign ( resid 81 and name HD1#
	 )
       ( resid 64 and name HD2#
	 ) 2.7 0.5 0.5 volume=115451639.625 peak=1630 ppm1=0.133 ppm2=0.717

assign ( resid 64 and name HD2#
	 )
       ( resid 90 and name HD2#
	 ) 2.7 0.5 0.5 volume=643060951.000 peak=1631 ppm1=0.737 ppm2=0.951

assign ( resid 64 and name HD2#
	 )
       ( resid 61 and name HA
	 ) 2.8 0.6 0.6 volume=555018365.000 peak=1633 ppm1=0.737 ppm2=3.610

assign ( resid 64 and name HD2#
	 )
       ( resid 68 and name H
	 ) 3.6 0.7 0.7 volume=124859302.375 peak=1634 ppm1=0.734 ppm2=8.271

assign ( resid 64 and name HD2#
	 )
       ( resid 33 and name H
	 ) 3.5 0.7 0.7 volume=138893959.500 peak=1635 ppm1=0.736 ppm2=8.148

assign ( resid 64 and name HD2#
	 )
       ( resid 51 and name HE#
	 ) 4.0 0.8 0.8 volume=66938824.688 peak=1636 ppm1=0.739 ppm2=7.584

assign ( resid 64 and name HD2#
	 )
       ( resid 64 and name H
	 ) 3.6 0.7 0.7 volume=119340185.375 peak=1637 ppm1=0.735 ppm2=8.579

assign ( resid 64 and name HD2#
	 )
       ( resid 65 and name H
	 ) 3.9 0.8 0.8 volume=82692928.875 peak=1638 ppm1=0.736 ppm2=7.755

assign ( resid 64 and name HB3
	 )
       ( resid 64 and name HD2#
	 ) 3.3 0.7 0.7 volume=211802317.000 peak=1639 ppm1=1.791 ppm2=0.731

assign ( resid 64 and name HD2#
	 )
       ( resid 29 and name HG1#
	 ) 2.9 0.6 0.6 volume=483631521.500 peak=1640 ppm1=0.735 ppm2=0.998

assign ( resid 65 and name HA
	 )
       ( resid 64 and name HB2
	 ) 3.4 0.7 0.7 volume=164684546.750 peak=1641 ppm1=3.637 ppm2=1.328

assign ( resid 65 and name HA
	 )
       ( resid 64 and name HG
	 ) 4.2 0.8 0.8 volume=50016467.188 peak=1642 ppm1=3.643 ppm2=1.224

assign ( resid 65 and name HA
	 )
       ( resid 68 and name HB3
	 ) 3.5 0.7 0.7 volume=144364709.250 peak=1643 ppm1=3.633 ppm2=1.009

assign ( resid 65 and name HA
	 )
       ( resid 90 and name HD1#
	 ) 3.1 0.6 0.6 volume=334336198.000 peak=1644 ppm1=3.636 ppm2=0.831

assign ( resid 65 and name HA
	 )
       ( resid 64 and name HD2#
	 ) 3.3 0.7 0.7 volume=200250453.250 peak=1645 ppm1=3.635 ppm2=0.723

assign ( resid 65 and name HA
	 )
       ( resid 81 and name HD1#
	 ) 4.2 0.8 0.8 volume=47281742.125 peak=1646 ppm1=3.635 ppm2=0.140

assign ( resid 65 and name HA
	 )
       ( resid 65 and name HG2
	 ) 3.3 0.7 0.7 volume=202851524.000 peak=1648 ppm1=3.634 ppm2=1.882

assign ( resid 65 and name HA
	 )
       ( resid 65 and name HD3
	 ) 4.3 0.9 0.9 volume=42416278.562 peak=1649 ppm1=3.632 ppm2=2.971

assign ( resid 65 and name HA
	 )
       ( resid 62 and name HA
	 ) 3.9 0.8 0.8 volume=72157236.125 peak=1650 ppm1=3.636 ppm2=4.078

assign ( resid 65 and name HA
	 )
       ( resid 68 and name H
	 ) 4.1 0.8 0.8 volume=61049261.000 peak=1651 ppm1=3.634 ppm2=8.292

assign ( resid 65 and name HA
	 )
       ( resid 65 and name H
	 ) 3.6 0.7 0.7 volume=135890331.000 peak=1652 ppm1=3.636 ppm2=7.739

assign ( resid 65 and name HA
	 )
       ( resid 66 and name H
	 ) 4.1 0.8 0.8 volume=53682685.625 peak=1653 ppm1=3.638 ppm2=8.810

assign ( resid 65 and name HB3
	 )
       ( resid 65 and name HA
	 ) 3.6 0.7 0.7 volume=121016136.250 peak=1654 ppm1=2.080 ppm2=3.633

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name HA
	 ) 3.3 0.7 0.7 volume=123504162.000 peak=1655 ppm1=2.009 ppm2=3.636

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name HB2
	 ) 4.2 0.8 0.8 volume=46994163.000 peak=1656 ppm1=2.080 ppm2=2.982

assign ( resid 65 and name HB2
	 )
       ( resid 66 and name H
	 ) 4.0 0.8 0.8 volume=63507996.750 peak=1657 ppm1=2.006 ppm2=8.814

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name H
	 ) 4.1 0.8 0.8 volume=60302654.000 peak=1658 ppm1=2.082 ppm2=8.811

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HD1#
	 ) 4.1 0.8 0.8 volume=57309854.000 peak=1659 ppm1=2.084 ppm2=0.977

assign ( resid 65 and name HB2
	 )
       ( resid 62 and name HD1#
	 ) 4.2 0.8 0.8 volume=51141918.500 peak=1660 ppm1=2.006 ppm2=0.982

assign ( resid 66 and name HA
	 )
       ( resid 68 and name HB3
	 ) 3.8 0.8 0.8 volume=92210279.781 peak=1661 ppm1=4.337 ppm2=1.009

assign ( resid 66 and name HA
	 )
       ( resid 66 and name HB2
	 ) 3.3 0.7 0.7 volume=210186653.500 peak=1662 ppm1=4.344 ppm2=2.997

assign ( resid 66 and name HA
	 )
       ( resid 67 and name HA
	 ) 3.9 0.8 0.8 volume=80589808.875 peak=1663 ppm1=4.351 ppm2=4.078

assign ( resid 66 and name HA
	 )
       ( resid 66 and name H
	 ) 3.4 0.7 0.7 volume=191611119.000 peak=1664 ppm1=4.347 ppm2=8.809

assign ( resid 66 and name HA
	 )
       ( resid 67 and name H
	 ) 4.0 0.8 0.8 volume=70785411.000 peak=1665 ppm1=4.344 ppm2=8.523

assign ( resid 66 and name HA
	 )
       ( resid 70 and name H
	 ) 4.0 0.8 0.8 volume=67209201.625 peak=1666 ppm1=4.344 ppm2=7.851

assign ( resid 66 and name HA
	 )
       ( resid 65 and name H
	 ) 4.2 0.8 0.8 volume=48093833.000 peak=1667 ppm1=4.343 ppm2=7.777

assign ( resid 66 and name HB2
	 )
       ( resid 66 and name HB3
	 ) 2.8 0.6 0.6 volume=596883474.000 peak=1668 ppm1=3.002 ppm2=2.823

assign ( resid 66 and name HB3
	 )
       ( resid 66 and name HA
	 ) 3.4 0.7 0.7 volume=181236445.000 peak=1671 ppm1=2.824 ppm2=4.345

assign ( resid 66 and name HB2
	 )
       ( resid 63 and name HA
	 ) 3.3 0.7 0.7 volume=173694575.000 peak=1672 ppm1=3.005 ppm2=4.077

assign ( resid 66 and name HB3
	 )
       ( resid 63 and name HA
	 ) 3.4 0.7 0.7 volume=174253397.750 peak=1673 ppm1=2.825 ppm2=4.077

assign ( resid 66 and name HB2
	 )
       ( resid 66 and name HD21
	 ) 3.8 0.8 0.8 volume=94780956.375 peak=1674 ppm1=3.000 ppm2=6.878

assign ( resid 66 and name HB2
	 )
       ( resid 67 and name H
	 ) 3.9 0.8 0.8 volume=82820006.375 peak=1675 ppm1=3.002 ppm2=8.513

assign ( resid 66 and name HB3
	 )
       ( resid 67 and name H
	 ) 3.8 0.8 0.8 volume=95705036.750 peak=1676 ppm1=2.824 ppm2=8.518

assign ( resid 66 and name HB2
	 )
       ( resid 65 and name H
	 ) 3.5 0.7 0.7 volume=157775224.750 peak=1677 ppm1=3.002 ppm2=7.769

assign ( resid 66 and name HB3
	 )
       ( resid 65 and name H
	 ) 3.4 0.7 0.7 volume=174634770.500 peak=1678 ppm1=2.825 ppm2=7.769

assign ( resid 66 and name HB3
	 )
       ( resid 66 and name HD21
	 ) 3.7 0.7 0.7 volume=100885825.375 peak=1679 ppm1=2.825 ppm2=6.883

assign ( resid 66 and name HB2
	 )
       ( resid 66 and name H
	 ) 3.5 0.7 0.7 volume=139331969.750 peak=1680 ppm1=3.003 ppm2=8.810

assign ( resid 66 and name HB3
	 )
       ( resid 66 and name H
	 ) 3.5 0.7 0.7 volume=151863776.000 peak=1681 ppm1=2.824 ppm2=8.809

assign ( resid 67 and name HA
	 )
       ( resid 67 and name H
	 ) 3.3 0.7 0.7 volume=219751180.000 peak=1682 ppm1=4.061 ppm2=8.517

assign ( resid 67 and name HA
	 )
       ( resid 68 and name H
	 ) 3.8 0.8 0.8 volume=93286340.250 peak=1683 ppm1=4.060 ppm2=8.294

assign ( resid 67 and name HA
	 )
       ( resid 71 and name H
	 ) 4.3 0.9 0.9 volume=43079291.531 peak=1684 ppm1=4.058 ppm2=8.159

assign ( resid 67 and name HA
	 )
       ( resid 70 and name H
	 ) 3.8 0.8 0.8 volume=89112321.875 peak=1685 ppm1=4.059 ppm2=7.868

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HB
	 ) 2.9 0.6 0.6 volume=451031706.000 peak=1686 ppm1=4.060 ppm2=4.235

assign ( resid 67 and name HA
	 )
       ( resid 70 and name HB3
	 ) 3.4 0.7 0.7 volume=173331535.000 peak=1687 ppm1=4.059 ppm2=3.235

assign ( resid 67 and name HA
	 )
       ( resid 32 and name HB#
	 ) 4.4 0.9 0.9 volume=36960289.438 peak=1688 ppm1=4.059 ppm2=1.360

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HG2#
	 ) 2.7 0.5 0.5 volume=664196930.000 peak=1689 ppm1=4.060 ppm2=1.240

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HA
	 ) 2.4 0.5 0.5 volume=1403428704.000 peak=1690 ppm1=4.237 ppm2=4.056

assign ( resid 7 and name HG2#
	 )
       ( resid 7 and name HB
	 ) 2.3 0.5 0.5 volume=1715231804.000 peak=1691 ppm1=1.183 ppm2=4.226

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB2
	 ) 3.0 0.6 0.6 volume=372047858.000 peak=1692 ppm1=4.056 ppm2=1.625

assign ( resid 68 and name HB3
	 )
       ( resid 68 and name HB2
	 ) 2.9 0.6 0.6 volume=362941110.500 peak=1693 ppm1=1.005 ppm2=1.898

assign ( resid 68 and name HB3
	 )
       ( resid 68 and name HA
	 ) 3.5 0.7 0.7 volume=146753841.000 peak=1695 ppm1=1.012 ppm2=4.094

assign ( resid 68 and name HB3
	 )
       ( resid 68 and name H
	 ) 3.7 0.7 0.7 volume=102985876.500 peak=1696 ppm1=1.014 ppm2=8.293

assign ( resid 68 and name HG
	 )
       ( resid 68 and name HB2
	 ) 3.0 0.6 0.6 volume=348335873.000 peak=1697 ppm1=0.729 ppm2=1.897

assign ( resid 68 and name HG
	 )
       ( resid 64 and name HB2
	 ) 3.3 0.7 0.7 volume=203285094.500 peak=1698 ppm1=0.729 ppm2=1.358

assign ( resid 68 and name HG
	 )
       ( resid 64 and name HG
	 ) 3.1 0.6 0.6 volume=306597433.500 peak=1699 ppm1=0.729 ppm2=1.226

assign ( resid 68 and name HG
	 )
       ( resid 64 and name HD1#
	 ) 3.4 0.7 0.7 volume=179640802.750 peak=1700 ppm1=0.729 ppm2=0.387

assign ( resid 68 and name HG
	 )
       ( resid 81 and name HD1#
	 ) 3.4 0.7 0.7 volume=165819108.750 peak=1701 ppm1=0.728 ppm2=0.131

assign ( resid 68 and name HG
	 )
       ( resid 65 and name HA
	 ) 3.5 0.7 0.7 volume=140634959.000 peak=1702 ppm1=0.727 ppm2=3.630

assign ( resid 68 and name HG
	 )
       ( resid 68 and name HA
	 ) 3.5 0.7 0.7 volume=139342151.000 peak=1703 ppm1=0.730 ppm2=4.096

assign ( resid 68 and name HG
	 )
       ( resid 68 and name H
	 ) 3.7 0.7 0.7 volume=107728410.625 peak=1704 ppm1=0.729 ppm2=8.290

assign ( resid 68 and name HG
	 )
       ( resid 68 and name HB3
	 ) 2.7 0.5 0.5 volume=674762979.000 peak=1705 ppm1=0.730 ppm2=0.999

assign ( resid 94 and name HG
	 )
       ( resid 94 and name HD1#
	 ) 2.5 0.5 0.5 volume=1193812056.000 peak=1706 ppm1=2.031 ppm2=0.713

assign ( resid 94 and name HG
	 )
       ( resid 94 and name HB3
	 ) 3.5 0.7 0.7 volume=138622411.500 peak=1707 ppm1=2.030 ppm2=1.127

assign ( resid 94 and name HA
	 )
       ( resid 94 and name HG
	 ) 3.5 0.7 0.7 volume=101563290.375 peak=1708 ppm1=3.488 ppm2=2.024

assign ( resid 94 and name HG
	 )
       ( resid 94 and name H
	 ) 3.4 0.7 0.7 volume=176723832.750 peak=1709 ppm1=2.032 ppm2=8.507

assign ( resid 69 and name HA
	 )
       ( resid 70 and name H
	 ) 3.5 0.7 0.7 volume=159427150.250 peak=1711 ppm1=4.122 ppm2=7.866

assign ( resid 69 and name HA
	 )
       ( resid 74 and name H
	 ) 3.7 0.7 0.7 volume=114524386.500 peak=1712 ppm1=4.121 ppm2=7.644

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HB
	 ) 3.1 0.6 0.6 volume=292586965.500 peak=1713 ppm1=4.122 ppm2=4.279

assign ( resid 69 and name HA
	 )
       ( resid 74 and name HB3
	 ) 3.9 0.8 0.8 volume=75013991.750 peak=1714 ppm1=4.123 ppm2=1.529

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HG2#
	 ) 2.9 0.6 0.6 volume=481509794.000 peak=1715 ppm1=4.122 ppm2=1.260

assign ( resid 69 and name HA
	 )
       ( resid 72 and name HG2#
	 ) 3.9 0.8 0.8 volume=73760372.750 peak=1716 ppm1=4.120 ppm2=1.119

assign ( resid 69 and name HA
	 )
       ( resid 74 and name HB2
	 ) 4.3 0.9 0.9 volume=40221342.500 peak=1717 ppm1=4.123 ppm2=0.996

assign ( resid 69 and name HA
	 )
       ( resid 94 and name HD1#
	 ) 4.0 0.8 0.8 volume=71599317.875 peak=1718 ppm1=4.123 ppm2=0.694

assign ( resid 70 and name HA
	 )
       ( resid 73 and name H
	 ) 3.5 0.7 0.7 volume=159102177.750 peak=1719 ppm1=4.286 ppm2=8.161

assign ( resid 70 and name HA
	 )
       ( resid 70 and name H
	 ) 3.1 0.6 0.6 volume=314208066.500 peak=1720 ppm1=4.287 ppm2=7.869

assign ( resid 70 and name HA
	 )
       ( resid 73 and name HA3
	 ) 4.0 0.8 0.8 volume=64056143.250 peak=1722 ppm1=4.287 ppm2=4.079

assign ( resid 70 and name HB3
	 )
       ( resid 70 and name HA
	 ) 2.8 0.6 0.6 volume=527571960.000 peak=1723 ppm1=3.214 ppm2=4.285

assign ( resid 70 and name HA
	 )
       ( resid 69 and name HG2#
	 ) 3.5 0.7 0.7 volume=153103270.750 peak=1724 ppm1=4.287 ppm2=1.264

assign ( resid 70 and name HB2
	 )
       ( resid 69 and name HG2#
	 ) 3.9 0.8 0.8 volume=76144373.500 peak=1725 ppm1=3.273 ppm2=1.245

assign ( resid 70 and name HB3
	 )
       ( resid 69 and name HG2#
	 ) 3.9 0.8 0.8 volume=73496203.250 peak=1726 ppm1=3.212 ppm2=1.245

assign ( resid 70 and name HB2
	 )
       ( resid 70 and name HA
	 ) 3.1 0.6 0.6 volume=314532171.500 peak=1727 ppm1=3.274 ppm2=4.284

assign ( resid 70 and name HB2
	 )
       ( resid 67 and name HA
	 ) 3.6 0.7 0.7 volume=133359354.500 peak=1729 ppm1=3.274 ppm2=4.062

assign ( resid 70 and name HB3
	 )
       ( resid 71 and name H
	 ) 3.4 0.7 0.7 volume=183550539.250 peak=1733 ppm1=3.213 ppm2=8.159

assign ( resid 70 and name HB2
	 )
       ( resid 70 and name H
	 ) 3.1 0.6 0.6 volume=293989253.000 peak=1734 ppm1=3.275 ppm2=7.871

assign ( resid 70 and name HB3
	 )
       ( resid 70 and name H
	 ) 3.1 0.6 0.6 volume=310743592.000 peak=1735 ppm1=3.214 ppm2=7.870

assign ( resid 72 and name HB
	 )
       ( resid 72 and name HA
	 ) 2.9 0.6 0.6 volume=502421439.000 peak=1738 ppm1=4.057 ppm2=4.500

assign ( resid 72 and name HA
	 )
       ( resid 73 and name H
	 ) 3.7 0.7 0.7 volume=102932823.000 peak=1739 ppm1=4.494 ppm2=8.148

assign ( resid 72 and name HA
	 )
       ( resid 74 and name H
	 ) 4.4 0.9 0.9 volume=39620916.438 peak=1740 ppm1=4.494 ppm2=7.647

assign ( resid 72 and name HA
	 )
       ( resid 72 and name H
	 ) 3.5 0.7 0.7 volume=143688457.750 peak=1741 ppm1=4.497 ppm2=7.864

assign ( resid 72 and name HA
	 )
       ( resid 9 and name HG
	 ) 4.3 0.9 0.9 volume=45818180.078 peak=1743 ppm1=4.497 ppm2=1.473

assign ( resid 70 and name HB3
	 )
       ( resid 71 and name HD22
	 ) 4.4 0.9 0.9 volume=35689810.938 peak=1744 ppm1=3.219 ppm2=7.345

assign ( resid 93 and name HB3
	 )
       ( resid 93 and name HB2
	 ) 3.0 0.6 0.6 volume=341511322.500 peak=1746 ppm1=2.807 ppm2=2.454

assign ( resid 93 and name HB2
	 )
       ( resid 90 and name HD2#
	 ) 3.8 0.8 0.8 volume=95236744.750 peak=1747 ppm1=2.456 ppm2=0.968

assign ( resid 93 and name HB3
	 )
       ( resid 90 and name HD2#
	 ) 3.7 0.7 0.7 volume=110693271.000 peak=1748 ppm1=2.806 ppm2=0.964

assign ( resid 93 and name HD2
	 )
       ( resid 93 and name HB2
	 ) 4.1 0.8 0.8 volume=58823560.500 peak=1750 ppm1=5.983 ppm2=2.453

assign ( resid 93 and name HB3
	 )
       ( resid 93 and name H
	 ) 3.4 0.7 0.7 volume=188677160.250 peak=1751 ppm1=2.806 ppm2=7.796

assign ( resid 93 and name HB2
	 )
       ( resid 93 and name H
	 ) 3.3 0.7 0.7 volume=211345671.500 peak=1752 ppm1=2.454 ppm2=7.798

assign ( resid 93 and name HB3
	 )
       ( resid 94 and name H
	 ) 3.7 0.7 0.7 volume=100806202.500 peak=1753 ppm1=2.810 ppm2=8.505

assign ( resid 93 and name HB2
	 )
       ( resid 94 and name H
	 ) 3.7 0.7 0.7 volume=105550619.750 peak=1754 ppm1=2.452 ppm2=8.505

assign ( resid 97 and name HB2
	 )
       ( resid 98 and name H
	 ) 4.1 0.8 0.8 volume=61172762.188 peak=1755 ppm1=1.641 ppm2=8.044

assign ( resid 97 and name HB3
	 )
       ( resid 98 and name H
	 ) 4.0 0.8 0.8 volume=66701715.375 peak=1756 ppm1=1.539 ppm2=8.038

assign ( resid 97 and name HB2
	 )
       ( resid 97 and name H
	 ) 3.7 0.7 0.7 volume=109091663.500 peak=1757 ppm1=1.639 ppm2=7.763

assign ( resid 97 and name HB3
	 )
       ( resid 97 and name H
	 ) 3.7 0.7 0.7 volume=115188945.250 peak=1758 ppm1=1.540 ppm2=7.768

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HB2
	 ) 3.1 0.6 0.6 volume=141359846.250 peak=1759 ppm1=3.906 ppm2=1.644

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HB3
	 ) 3.3 0.7 0.7 volume=123380638.750 peak=1760 ppm1=3.905 ppm2=1.538

assign ( resid 97 and name HB3
	 )
       ( resid 94 and name HA
	 ) 3.6 0.7 0.7 volume=78692913.875 peak=1762 ppm1=1.544 ppm2=3.486

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name HB3
	 ) 3.7 0.7 0.7 volume=41427958.750 peak=1764 ppm1=2.987 ppm2=1.549

assign ( resid 97 and name HB3
	 )
       ( resid 97 and name HD3
	 ) 3.8 0.8 0.8 volume=41626443.812 peak=1766 ppm1=1.543 ppm2=2.777

assign ( resid 97 and name HB2
	 )
       ( resid 97 and name HB3
	 ) 3.0 0.6 0.6 volume=380690997.000 peak=1768 ppm1=1.641 ppm2=1.541

assign ( resid 97 and name HB2
	 )
       ( resid 74 and name HD2#
	 ) 3.2 0.6 0.6 volume=244436979.500 peak=1769 ppm1=1.642 ppm2=0.688

assign ( resid 97 and name HB3
	 )
       ( resid 74 and name HD2#
	 ) 3.3 0.7 0.7 volume=226089328.000 peak=1770 ppm1=1.542 ppm2=0.688

assign ( resid 97 and name HG3
	 )
       ( resid 97 and name HB2
	 ) 3.1 0.6 0.6 volume=244060175.500 peak=1771 ppm1=1.126 ppm2=1.642

assign ( resid 97 and name HB3
	 )
       ( resid 97 and name HG3
	 ) 3.1 0.6 0.6 volume=224635247.000 peak=1772 ppm1=1.542 ppm2=1.126

assign ( resid 81 and name HG2#
	 )
       ( resid 81 and name HG12
	 ) 3.0 0.6 0.6 volume=236077085.500 peak=1774 ppm1=0.237 ppm2=1.024

assign ( resid 81 and name HG13
	 )
       ( resid 81 and name HG2#
	 ) 3.2 0.6 0.6 volume=266703247.500 peak=1775 ppm1=0.654 ppm2=0.239

assign ( resid 64 and name HD1#
	 )
       ( resid 81 and name HG12
	 ) 3.3 0.7 0.7 volume=79082036.875 peak=1777 ppm1=0.390 ppm2=1.031

assign ( resid 81 and name HG13
	 )
       ( resid 64 and name HD1#
	 ) 3.6 0.7 0.7 volume=118806750.750 peak=1778 ppm1=0.658 ppm2=0.383

assign ( resid 81 and name HG12
	 )
       ( resid 61 and name HB#
	 ) 3.5 0.7 0.7 volume=146127409.750 peak=1780 ppm1=1.035 ppm2=1.185

assign ( resid 81 and name HG13
	 )
       ( resid 81 and name HG12
	 ) 2.7 0.5 0.5 volume=739790586.000 peak=1781 ppm1=0.654 ppm2=1.032

assign ( resid 81 and name HG13
	 )
       ( resid 61 and name HB#
	 ) 3.5 0.7 0.7 volume=152133291.250 peak=1782 ppm1=0.656 ppm2=1.191

assign ( resid 81 and name HB
	 )
       ( resid 81 and name HG13
	 ) 3.3 0.7 0.7 volume=174526415.500 peak=1784 ppm1=1.547 ppm2=0.651

assign ( resid 81 and name HG13
	 )
       ( resid 64 and name HB3
	 ) 4.2 0.8 0.8 volume=46269465.875 peak=1785 ppm1=0.652 ppm2=1.806

assign ( resid 61 and name HA
	 )
       ( resid 81 and name HG12
	 ) 3.9 0.8 0.8 volume=65231656.250 peak=1786 ppm1=3.625 ppm2=0.999

assign ( resid 81 and name HA
	 )
       ( resid 81 and name HG13
	 ) 3.6 0.7 0.7 volume=90843440.125 peak=1788 ppm1=3.799 ppm2=0.664

assign ( resid 81 and name HG12
	 )
       ( resid 81 and name H
	 ) 3.5 0.7 0.7 volume=157435391.500 peak=1789 ppm1=1.030 ppm2=8.068

assign ( resid 45 and name HD1#
	 )
       ( resid 33 and name HG2#
	 ) 2.6 0.5 0.5 volume=864307115.000 peak=1790 ppm1=0.671 ppm2=1.184

assign ( resid 34 and name HB#
	 )
       ( resid 45 and name HD1#
	 ) 2.8 0.6 0.6 volume=587682419.000 peak=1791 ppm1=1.319 ppm2=0.679

assign ( resid 45 and name HD1#
	 )
       ( resid 45 and name HG13
	 ) 2.8 0.6 0.6 volume=564981251.000 peak=1792 ppm1=0.671 ppm2=1.378

assign ( resid 45 and name HD1#
	 )
       ( resid 45 and name HG12
	 ) 2.7 0.5 0.5 volume=779797561.000 peak=1793 ppm1=0.670 ppm2=1.607

assign ( resid 45 and name HD1#
	 )
       ( resid 45 and name HB
	 ) 3.0 0.6 0.6 volume=353222339.000 peak=1794 ppm1=0.671 ppm2=2.121

assign ( resid 45 and name HD1#
	 )
       ( resid 39 and name HB2
	 ) 4.3 0.9 0.9 volume=41735050.109 peak=1795 ppm1=0.671 ppm2=3.013

assign ( resid 45 and name HD1#
	 )
       ( resid 33 and name HB
	 ) 3.1 0.6 0.6 volume=294772440.500 peak=1796 ppm1=0.672 ppm2=4.228

assign ( resid 45 and name HD1#
	 )
       ( resid 45 and name HA
	 ) 2.8 0.6 0.6 volume=606446675.000 peak=1797 ppm1=0.671 ppm2=3.950

assign ( resid 45 and name HD1#
	 )
       ( resid 34 and name HA
	 ) 3.1 0.6 0.6 volume=305089309.500 peak=1798 ppm1=0.671 ppm2=3.632

assign ( resid 45 and name HD1#
	 )
       ( resid 44 and name HB3
	 ) 4.4 0.9 0.9 volume=37348545.242 peak=1799 ppm1=0.674 ppm2=3.810

assign ( resid 45 and name HD1#
	 )
       ( resid 45 and name H
	 ) 3.4 0.7 0.7 volume=179018519.500 peak=1800 ppm1=0.671 ppm2=7.517

assign ( resid 45 and name HD1#
	 )
       ( resid 33 and name H
	 ) 3.9 0.8 0.8 volume=72275450.188 peak=1801 ppm1=0.672 ppm2=8.185

assign ( resid 45 and name HD1#
	 )
       ( resid 44 and name H
	 ) 4.4 0.9 0.9 volume=38965904.406 peak=1802 ppm1=0.671 ppm2=8.031

assign ( resid 45 and name HD1#
	 )
       ( resid 34 and name H
	 ) 3.4 0.7 0.7 volume=165099313.750 peak=1803 ppm1=0.672 ppm2=8.374

assign ( resid 56 and name HD1#
	 )
       ( resid 64 and name H
	 ) 3.9 0.8 0.8 volume=81407024.125 peak=1804 ppm1=0.668 ppm2=8.590

assign ( resid 56 and name HD1#
	 )
       ( resid 54 and name H
	 ) 4.1 0.8 0.8 volume=55492121.188 peak=1805 ppm1=0.668 ppm2=7.754

assign ( resid 56 and name HD1#
	 )
       ( resid 37 and name H
	 ) 3.8 0.8 0.8 volume=86017111.750 peak=1806 ppm1=0.666 ppm2=7.647

assign ( resid 56 and name HD1#
	 )
       ( resid 56 and name H
	 ) 3.3 0.7 0.7 volume=207889636.750 peak=1807 ppm1=0.668 ppm2=7.536

assign ( resid 56 and name HD1#
	 )
       ( resid 61 and name HA
	 ) 3.2 0.6 0.6 volume=266325602.500 peak=1809 ppm1=0.669 ppm2=3.623

assign ( resid 56 and name HD1#
	 )
       ( resid 33 and name HB
	 ) 3.7 0.7 0.7 volume=109785808.375 peak=1810 ppm1=0.670 ppm2=4.250

assign ( resid 56 and name HD1#
	 )
       ( resid 51 and name HB2
	 ) 3.7 0.7 0.7 volume=108289998.500 peak=1813 ppm1=0.667 ppm2=2.771

assign ( resid 56 and name HD1#
	 )
       ( resid 56 and name HB
	 ) 2.8 0.6 0.6 volume=625381131.000 peak=1814 ppm1=0.669 ppm2=1.670

assign ( resid 56 and name HD1#
	 )
       ( resid 54 and name HB2
	 ) 3.6 0.7 0.7 volume=127543627.750 peak=1815 ppm1=0.668 ppm2=1.518

assign ( resid 56 and name HD1#
	 )
       ( resid 56 and name HG12
	 ) 2.6 0.5 0.5 volume=926736242.000 peak=1816 ppm1=0.668 ppm2=1.349

assign ( resid 56 and name HD1#
	 )
       ( resid 33 and name HG2#
	 ) 2.7 0.5 0.5 volume=710875149.000 peak=1817 ppm1=0.668 ppm2=1.186

assign ( resid 56 and name HD1#
	 )
       ( resid 64 and name HD1#
	 ) 2.7 0.5 0.5 volume=556137254.000 peak=1818 ppm1=0.669 ppm2=0.387

assign ( resid 56 and name HD1#
	 )
       ( resid 81 and name HG2#
	 ) 3.8 0.8 0.8 volume=88361093.875 peak=1820 ppm1=0.671 ppm2=0.229

assign ( resid 56 and name HD1#
	 )
       ( resid 81 and name HD1#
	 ) 4.0 0.8 0.8 volume=64799812.312 peak=1821 ppm1=0.666 ppm2=0.129

assign ( resid 88 and name HD2
	 )
       ( resid 89 and name HA
	 ) 4.1 0.8 0.8 volume=54273084.625 peak=1822 ppm1=6.850 ppm2=4.088

assign ( resid 88 and name HD2
	 )
       ( resid 89 and name H
	 ) 4.5 0.9 0.9 volume=33275815.688 peak=1823 ppm1=6.850 ppm2=8.357

assign ( resid 93 and name HD2
	 )
       ( resid 93 and name HB3
	 ) 4.0 0.8 0.8 volume=39756513.188 peak=1824 ppm1=5.988 ppm2=2.809

assign ( resid 70 and name HA
	 )
       ( resid 70 and name HD2
	 ) 4.2 0.8 0.8 volume=43903238.688 peak=1825 ppm1=4.288 ppm2=6.949

assign ( resid 95 and name HD2
	 )
       ( resid 21 and name HG3
	 ) 4.7 0.9 0.9 volume=24190924.219 peak=1828 ppm1=6.541 ppm2=2.314

assign ( resid 88 and name HD2
	 )
       ( resid 92 and name HG3
	 ) 4.6 0.9 0.9 volume=30696157.719 peak=1829 ppm1=6.850 ppm2=2.091

assign ( resid 39 and name HD2
	 )
       ( resid 34 and name HA
	 ) 4.6 0.9 0.9 volume=29187301.531 peak=1830 ppm1=6.807 ppm2=3.631

assign ( resid 88 and name HD2
	 )
       ( resid 48 and name HB#
	 ) 4.8 1.0 1.0 volume=22554951.562 peak=1831 ppm1=6.853 ppm2=1.268

assign ( resid 102 and name HD2
	 )
       ( resid 101 and name HB2
	 ) 4.9 1.0 1.0 volume=19019322.148 peak=1833 ppm1=7.009 ppm2=3.811

assign ( resid 102 and name HD2
	 )
       ( resid 102 and name HA
	 ) 3.8 0.8 0.8 volume=33495809.188 peak=1834 ppm1=6.963 ppm2=4.435

assign ( resid 67 and name HB
	 )
       ( resid 71 and name HD21
	 ) 4.5 0.9 0.9 volume=32506053.766 peak=1835 ppm1=4.238 ppm2=7.240

assign ( resid 97 and name HA
	 )
       ( resid 98 and name H
	 ) 3.7 0.7 0.7 volume=99116300.750 peak=1836 ppm1=3.905 ppm2=8.039

assign ( resid 71 and name HA
	 )
       ( resid 70 and name HD2
	 ) 4.5 0.9 0.9 volume=32176284.250 peak=1838 ppm1=4.447 ppm2=6.970

assign ( resid 72 and name HB
	 )
       ( resid 72 and name H
	 ) 4.0 0.8 0.8 volume=65755290.125 peak=1839 ppm1=4.056 ppm2=7.864

assign ( resid 72 and name HB
	 )
       ( resid 74 and name H
	 ) 3.8 0.8 0.8 volume=92668311.000 peak=1840 ppm1=4.058 ppm2=7.643

assign ( resid 72 and name HB
	 )
       ( resid 73 and name H
	 ) 4.3 0.9 0.9 volume=43002668.750 peak=1841 ppm1=4.060 ppm2=8.155

assign ( resid 72 and name HB
	 )
       ( resid 9 and name HB2
	 ) 4.1 0.8 0.8 volume=53587490.688 peak=1843 ppm1=4.061 ppm2=1.642

assign ( resid 72 and name HB
	 )
       ( resid 74 and name HB3
	 ) 4.1 0.8 0.8 volume=58284016.875 peak=1844 ppm1=4.059 ppm2=1.545

assign ( resid 72 and name HB
	 )
       ( resid 74 and name HB2
	 ) 4.3 0.9 0.9 volume=41152897.688 peak=1846 ppm1=4.052 ppm2=0.996

assign ( resid 72 and name HB
	 )
       ( resid 9 and name HD2#
	 ) 3.0 0.6 0.6 volume=377386549.000 peak=1847 ppm1=4.058 ppm2=0.859

assign ( resid 72 and name HB
	 )
       ( resid 94 and name HD1#
	 ) 3.0 0.6 0.6 volume=409490142.000 peak=1848 ppm1=4.058 ppm2=0.694

assign ( resid 88 and name HB3
	 )
       ( resid 89 and name H
	 ) 3.7 0.7 0.7 volume=104961496.500 peak=1849 ppm1=2.854 ppm2=8.362

assign ( resid 88 and name HB2
	 )
       ( resid 89 and name H
	 ) 3.7 0.7 0.7 volume=100681822.000 peak=1850 ppm1=2.812 ppm2=8.362

assign ( resid 88 and name HB3
	 )
       ( resid 88 and name H
	 ) 3.4 0.7 0.7 volume=190211719.500 peak=1851 ppm1=2.855 ppm2=8.972

assign ( resid 88 and name HB2
	 )
       ( resid 88 and name H
	 ) 3.4 0.7 0.7 volume=185692454.500 peak=1852 ppm1=2.813 ppm2=8.970

assign ( resid 95 and name HB3
	 )
       ( resid 96 and name H
	 ) 3.6 0.7 0.7 volume=123005661.000 peak=1853 ppm1=3.244 ppm2=8.233

assign ( resid 95 and name HB2
	 )
       ( resid 96 and name H
	 ) 3.8 0.8 0.8 volume=89309779.500 peak=1854 ppm1=2.915 ppm2=8.231

assign ( resid 95 and name HB3
	 )
       ( resid 95 and name H
	 ) 3.2 0.6 0.6 volume=249714207.000 peak=1855 ppm1=3.243 ppm2=8.561

assign ( resid 95 and name HB2
	 )
       ( resid 95 and name H
	 ) 3.2 0.6 0.6 volume=244198324.500 peak=1856 ppm1=2.911 ppm2=8.560

assign ( resid 39 and name HB2
	 )
       ( resid 39 and name HA
	 ) 3.0 0.6 0.6 volume=121861088.500 peak=1857 ppm1=3.036 ppm2=4.690

assign ( resid 88 and name HB3
	 )
       ( resid 88 and name HD2
	 ) 4.2 0.8 0.8 volume=52477190.750 peak=1859 ppm1=2.858 ppm2=6.848

assign ( resid 88 and name HB3
	 )
       ( resid 88 and name HA
	 ) 3.4 0.7 0.7 volume=176813470.750 peak=1861 ppm1=2.857 ppm2=4.194

assign ( resid 40 and name HA
	 )
       ( resid 40 and name HB2
	 ) 3.4 0.7 0.7 volume=103633170.500 peak=1863 ppm1=4.479 ppm2=3.177

assign ( resid 40 and name HB3
	 )
       ( resid 40 and name HA
	 ) 3.5 0.7 0.7 volume=74389510.000 peak=1864 ppm1=3.015 ppm2=4.482

assign ( resid 73 and name HA3
	 )
       ( resid 74 and name HD2#
	 ) 4.4 0.9 0.9 volume=37780643.594 peak=1865 ppm1=4.063 ppm2=0.697

assign ( resid 70 and name HB3
	 )
       ( resid 69 and name H
	 ) 4.7 0.9 0.9 volume=23749972.312 peak=1866 ppm1=3.213 ppm2=9.118

assign ( resid 70 and name HB2
	 )
       ( resid 69 and name H
	 ) 4.7 0.9 0.9 volume=23991481.000 peak=1867 ppm1=3.280 ppm2=9.107

assign ( resid 73 and name HA3
	 )
       ( resid 72 and name H
	 ) 4.2 0.8 0.8 volume=47897837.438 peak=1868 ppm1=4.058 ppm2=7.860

assign ( resid 73 and name HA2
	 )
       ( resid 72 and name H
	 ) 4.1 0.8 0.8 volume=55066026.188 peak=1869 ppm1=3.807 ppm2=7.853

assign ( resid 73 and name HA2
	 )
       ( resid 74 and name H
	 ) 3.9 0.8 0.8 volume=78432838.250 peak=1870 ppm1=3.812 ppm2=7.643

assign ( resid 73 and name HA3
	 )
       ( resid 73 and name H
	 ) 3.2 0.6 0.6 volume=262923252.000 peak=1871 ppm1=4.063 ppm2=8.154

assign ( resid 73 and name HA2
	 )
       ( resid 73 and name H
	 ) 3.1 0.6 0.6 volume=295531848.500 peak=1872 ppm1=3.809 ppm2=8.156

assign ( resid 73 and name HA2
	 )
       ( resid 73 and name HA3
	 ) 2.7 0.5 0.5 volume=764264804.000 peak=1873 ppm1=3.810 ppm2=4.062

assign ( resid 73 and name HA3
	 )
       ( resid 6 and name HB#
	 ) 3.4 0.7 0.7 volume=175084240.750 peak=1875 ppm1=4.062 ppm2=1.275

assign ( resid 74 and name HA
	 )
       ( resid 74 and name HB3
	 ) 3.5 0.7 0.7 volume=157868163.000 peak=1877 ppm1=4.251 ppm2=1.542

assign ( resid 74 and name HB2
	 )
       ( resid 74 and name HA
	 ) 3.3 0.7 0.7 volume=216225519.000 peak=1878 ppm1=0.987 ppm2=4.246

assign ( resid 74 and name HA
	 )
       ( resid 74 and name H
	 ) 3.6 0.7 0.7 volume=133860473.625 peak=1879 ppm1=4.248 ppm2=7.643

assign ( resid 74 and name HA
	 )
       ( resid 75 and name H
	 ) 3.1 0.6 0.6 volume=308026164.000 peak=1880 ppm1=4.249 ppm2=8.490

assign ( resid 74 and name HB2
	 )
       ( resid 74 and name HB3
	 ) 3.0 0.6 0.6 volume=354942347.000 peak=1881 ppm1=0.990 ppm2=1.537

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name H
	 ) 3.5 0.7 0.7 volume=141963048.000 peak=1885 ppm1=1.542 ppm2=7.643

assign ( resid 74 and name HB2
	 )
       ( resid 74 and name H
	 ) 3.6 0.7 0.7 volume=117134346.000 peak=1886 ppm1=0.984 ppm2=7.639

assign ( resid 75 and name HB2
	 )
       ( resid 75 and name H
	 ) 3.2 0.6 0.6 volume=234574675.500 peak=1887 ppm1=2.617 ppm2=8.490

assign ( resid 75 and name HB3
	 )
       ( resid 75 and name H
	 ) 3.3 0.7 0.7 volume=229189025.500 peak=1888 ppm1=2.462 ppm2=8.491

assign ( resid 75 and name HB3
	 )
       ( resid 76 and name H
	 ) 4.0 0.8 0.8 volume=70063266.875 peak=1889 ppm1=2.462 ppm2=7.863

assign ( resid 75 and name HB2
	 )
       ( resid 74 and name HA
	 ) 3.9 0.8 0.8 volume=77142954.000 peak=1890 ppm1=2.618 ppm2=4.247

assign ( resid 75 and name HB3
	 )
       ( resid 74 and name HA
	 ) 4.0 0.8 0.8 volume=62060570.875 peak=1891 ppm1=2.457 ppm2=4.244

assign ( resid 75 and name HB3
	 )
       ( resid 75 and name HB2
	 ) 2.2 0.4 0.4 volume=2295662816.000 peak=1892 ppm1=2.462 ppm2=2.617

assign ( resid 75 and name HB2
	 )
       ( resid 74 and name HB2
	 ) 4.4 0.9 0.9 volume=38431422.875 peak=1894 ppm1=2.620 ppm2=0.993

assign ( resid 60 and name HA
	 )
       ( resid 61 and name HA
	 ) 4.4 0.9 0.9 volume=39818702.688 peak=1895 ppm1=4.015 ppm2=3.635

assign ( resid 78 and name HA
	 )
       ( resid 79 and name H
	 ) 4.0 0.8 0.8 volume=68338397.125 peak=1896 ppm1=4.032 ppm2=6.739

assign ( resid 78 and name HA
	 )
       ( resid 80 and name H
	 ) 4.1 0.8 0.8 volume=54339402.375 peak=1897 ppm1=4.027 ppm2=7.327

assign ( resid 78 and name HA
	 )
       ( resid 65 and name HD2
	 ) 4.2 0.8 0.8 volume=48556130.500 peak=1898 ppm1=4.028 ppm2=3.148

assign ( resid 60 and name HA
	 )
       ( resid 63 and name HB2
	 ) 2.6 0.5 0.5 volume=875672794.000 peak=1899 ppm1=4.015 ppm2=2.029

assign ( resid 78 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 4.3 0.9 0.9 volume=41188430.125 peak=1900 ppm1=4.030 ppm2=1.126

assign ( resid 78 and name HB2
	 )
       ( resid 78 and name HA
	 ) 2.9 0.6 0.6 volume=462387071.000 peak=1901 ppm1=2.287 ppm2=4.028

assign ( resid 78 and name HB2
	 )
       ( resid 79 and name H
	 ) 4.3 0.9 0.9 volume=44697244.875 peak=1902 ppm1=2.281 ppm2=6.736

assign ( resid 78 and name HB3
	 )
       ( resid 78 and name HB2
	 ) 2.3 0.5 0.5 volume=1641899808.000 peak=1903 ppm1=2.016 ppm2=2.286

assign ( resid 78 and name HB2
	 )
       ( resid 79 and name HG2#
	 ) 4.1 0.8 0.8 volume=57952426.625 peak=1904 ppm1=2.288 ppm2=1.123

assign ( resid 78 and name HB3
	 )
       ( resid 79 and name HG2#
	 ) 3.7 0.7 0.7 volume=108341143.500 peak=1905 ppm1=2.014 ppm2=1.122

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HB
	 ) 3.2 0.6 0.6 volume=278071882.500 peak=1906 ppm1=4.191 ppm2=4.748

assign ( resid 79 and name HB
	 )
       ( resid 82 and name HD#
	 ) 3.8 0.8 0.8 volume=94504172.000 peak=1907 ppm1=4.753 ppm2=7.103

assign ( resid 79 and name HB
	 )
       ( resid 79 and name H
	 ) 4.2 0.8 0.8 volume=46970025.750 peak=1908 ppm1=4.757 ppm2=6.718

assign ( resid 79 and name HB
	 )
       ( resid 82 and name HB2
	 ) 3.8 0.8 0.8 volume=95230635.875 peak=1909 ppm1=4.752 ppm2=2.913

assign ( resid 79 and name HB
	 )
       ( resid 82 and name HB3
	 ) 3.9 0.8 0.8 volume=76058773.625 peak=1910 ppm1=4.746 ppm2=3.146

assign ( resid 82 and name HE#
	 )
       ( resid 79 and name HA
	 ) 4.0 0.8 0.8 volume=42124529.938 peak=1913 ppm1=7.230 ppm2=4.194

assign ( resid 79 and name HA
	 )
       ( resid 80 and name H
	 ) 3.8 0.8 0.8 volume=94772001.125 peak=1914 ppm1=4.191 ppm2=7.318

assign ( resid 79 and name HA
	 )
       ( resid 79 and name H
	 ) 3.6 0.7 0.7 volume=126982802.500 peak=1916 ppm1=4.191 ppm2=6.737

assign ( resid 79 and name HA
	 )
       ( resid 82 and name HB2
	 ) 4.4 0.9 0.9 volume=37633435.688 peak=1917 ppm1=4.189 ppm2=2.914

assign ( resid 79 and name HA
	 )
       ( resid 78 and name HB3
	 ) 4.2 0.8 0.8 volume=47098942.000 peak=1918 ppm1=4.192 ppm2=2.042

assign ( resid 72 and name HG2#
	 )
       ( resid 74 and name H
	 ) 3.7 0.7 0.7 volume=114684430.250 peak=1920 ppm1=1.119 ppm2=7.643

assign ( resid 72 and name HG2#
	 )
       ( resid 72 and name H
	 ) 3.0 0.6 0.6 volume=410701363.500 peak=1921 ppm1=1.119 ppm2=7.865

assign ( resid 72 and name HG2#
	 )
       ( resid 73 and name H
	 ) 3.3 0.7 0.7 volume=200490210.250 peak=1922 ppm1=1.118 ppm2=8.155

assign ( resid 72 and name HB
	 )
       ( resid 72 and name HG2#
	 ) 2.5 0.5 0.5 volume=1061693008.000 peak=1924 ppm1=4.057 ppm2=1.119

assign ( resid 72 and name HG2#
	 )
       ( resid 94 and name HA
	 ) 4.1 0.8 0.8 volume=56495090.875 peak=1925 ppm1=1.120 ppm2=3.476

assign ( resid 72 and name HG2#
	 )
       ( resid 71 and name HB2
	 ) 3.5 0.7 0.7 volume=153362835.250 peak=1927 ppm1=1.119 ppm2=2.624

assign ( resid 72 and name HG2#
	 )
       ( resid 68 and name HB2
	 ) 3.5 0.7 0.7 volume=159770266.000 peak=1928 ppm1=1.120 ppm2=1.905

assign ( resid 72 and name HG2#
	 )
       ( resid 9 and name HB2
	 ) 3.5 0.7 0.7 volume=160446021.000 peak=1929 ppm1=1.117 ppm2=1.639

assign ( resid 72 and name HG2#
	 )
       ( resid 74 and name HB3
	 ) 3.7 0.7 0.7 volume=102959740.250 peak=1930 ppm1=1.119 ppm2=1.570

assign ( resid 72 and name HG2#
	 )
       ( resid 32 and name HB#
	 ) 3.4 0.7 0.7 volume=162619516.750 peak=1932 ppm1=1.119 ppm2=1.396

assign ( resid 72 and name HG2#
	 )
       ( resid 9 and name HD1#
	 ) 2.4 0.5 0.5 volume=1332388858.000 peak=1933 ppm1=1.119 ppm2=0.831

assign ( resid 79 and name HG2#
	 )
       ( resid 80 and name H
	 ) 3.7 0.7 0.7 volume=103437791.625 peak=1935 ppm1=1.124 ppm2=7.323

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 2.6 0.5 0.5 volume=963397447.000 peak=1936 ppm1=4.191 ppm2=1.122

assign ( resid 82 and name HB3
	 )
       ( resid 79 and name HG2#
	 ) 4.0 0.8 0.8 volume=63370515.031 peak=1937 ppm1=3.127 ppm2=1.105

assign ( resid 80 and name HA
	 )
       ( resid 83 and name HB2
	 ) 3.8 0.8 0.8 volume=86639583.125 peak=1939 ppm1=3.985 ppm2=2.265

assign ( resid 16 and name HB3
	 )
       ( resid 16 and name HB2
	 ) 3.2 0.6 0.6 volume=210297959.000 peak=1940 ppm1=1.602 ppm2=1.830

assign ( resid 16 and name HB2
	 )
       ( resid 16 and name HD2#
	 ) 3.0 0.6 0.6 volume=351905445.500 peak=1941 ppm1=1.842 ppm2=0.766

assign ( resid 16 and name HB2
	 )
       ( resid 20 and name HB2
	 ) 3.6 0.7 0.7 volume=54691666.562 peak=1943 ppm1=1.844 ppm2=2.032

assign ( resid 16 and name HB3
	 )
       ( resid 21 and name HG3
	 ) 4.2 0.8 0.8 volume=52717436.938 peak=1944 ppm1=1.605 ppm2=2.296

assign ( resid 16 and name HB2
	 )
       ( resid 21 and name HG3
	 ) 3.9 0.8 0.8 volume=71950893.625 peak=1945 ppm1=1.841 ppm2=2.297

assign ( resid 16 and name HB3
	 )
       ( resid 21 and name HG2
	 ) 4.1 0.8 0.8 volume=55734309.125 peak=1948 ppm1=1.605 ppm2=2.885

assign ( resid 16 and name HB2
	 )
       ( resid 21 and name HG2
	 ) 3.9 0.8 0.8 volume=73840831.000 peak=1949 ppm1=1.847 ppm2=2.883

assign ( resid 16 and name HB2
	 )
       ( resid 13 and name HA
	 ) 4.2 0.8 0.8 volume=51288644.812 peak=1950 ppm1=1.841 ppm2=4.094

assign ( resid 16 and name HB2
	 )
       ( resid 16 and name HA
	 ) 4.0 0.8 0.8 volume=67863537.750 peak=1951 ppm1=1.848 ppm2=4.617

assign ( resid 16 and name HB3
	 )
       ( resid 16 and name HA
	 ) 3.8 0.8 0.8 volume=87479140.125 peak=1952 ppm1=1.598 ppm2=4.610

assign ( resid 16 and name HB2
	 )
       ( resid 16 and name H
	 ) 3.6 0.7 0.7 volume=120337006.000 peak=1953 ppm1=1.842 ppm2=7.351

assign ( resid 16 and name HB2
	 )
       ( resid 21 and name H
	 ) 4.5 0.9 0.9 volume=32006802.062 peak=1954 ppm1=1.840 ppm2=9.152

assign ( resid 16 and name HB2
	 )
       ( resid 17 and name H
	 ) 4.3 0.9 0.9 volume=40228980.312 peak=1955 ppm1=1.842 ppm2=8.825

assign ( resid 16 and name HB3
	 )
       ( resid 17 and name H
	 ) 4.0 0.8 0.8 volume=63263738.750 peak=1956 ppm1=1.598 ppm2=8.824

assign ( resid 16 and name HB3
	 )
       ( resid 21 and name H
	 ) 4.3 0.9 0.9 volume=45286751.375 peak=1957 ppm1=1.593 ppm2=9.158

assign ( resid 98 and name HB2
	 )
       ( resid 98 and name HB3
	 ) 2.8 0.6 0.6 volume=597840584.000 peak=1959 ppm1=1.393 ppm2=1.663

assign ( resid 98 and name HB3
	 )
       ( resid 98 and name HD1#
	 ) 3.2 0.6 0.6 volume=275782035.000 peak=1960 ppm1=1.669 ppm2=0.878

assign ( resid 98 and name HB3
	 )
       ( resid 98 and name HD2#
	 ) 2.9 0.6 0.6 volume=419777249.000 peak=1961 ppm1=1.668 ppm2=0.742

assign ( resid 98 and name HB2
	 )
       ( resid 98 and name HD1#
	 ) 2.6 0.5 0.5 volume=341695719.500 peak=1962 ppm1=1.392 ppm2=0.876

assign ( resid 98 and name HB2
	 )
       ( resid 98 and name HD2#
	 ) 3.0 0.6 0.6 volume=389992893.000 peak=1963 ppm1=1.393 ppm2=0.745

assign ( resid 98 and name HA
	 )
       ( resid 98 and name HB3
	 ) 2.9 0.6 0.6 volume=165622293.500 peak=1964 ppm1=4.193 ppm2=1.656

assign ( resid 98 and name HB3
	 )
       ( resid 98 and name H
	 ) 3.4 0.7 0.7 volume=185997949.500 peak=1966 ppm1=1.668 ppm2=8.043

assign ( resid 98 and name HB2
	 )
       ( resid 98 and name H
	 ) 3.5 0.7 0.7 volume=137827536.500 peak=1967 ppm1=1.388 ppm2=8.046

assign ( resid 98 and name HB3
	 )
       ( resid 99 and name H
	 ) 4.2 0.8 0.8 volume=49335733.500 peak=1968 ppm1=1.669 ppm2=7.418

assign ( resid 98 and name HB2
	 )
       ( resid 99 and name H
	 ) 4.2 0.8 0.8 volume=47885455.250 peak=1969 ppm1=1.381 ppm2=7.408

assign ( resid 98 and name HB2
	 )
       ( resid 95 and name HA
	 ) 4.4 0.9 0.9 volume=39963261.883 peak=1970 ppm1=1.392 ppm2=3.769

assign ( resid 81 and name HA
	 )
       ( resid 81 and name H
	 ) 3.6 0.7 0.7 volume=132161962.750 peak=1971 ppm1=3.803 ppm2=8.070

assign ( resid 81 and name HA
	 )
       ( resid 84 and name H
	 ) 4.2 0.8 0.8 volume=52371784.562 peak=1972 ppm1=3.795 ppm2=7.289

assign ( resid 81 and name HA
	 )
       ( resid 51 and name HD#
	 ) 4.1 0.8 0.8 volume=59396613.125 peak=1973 ppm1=3.799 ppm2=7.076

assign ( resid 81 and name HA
	 )
       ( resid 84 and name HB2
	 ) 4.6 0.9 0.9 volume=29468410.953 peak=1974 ppm1=3.796 ppm2=2.303

assign ( resid 81 and name HA
	 )
       ( resid 81 and name HB
	 ) 3.3 0.7 0.7 volume=226041812.000 peak=1975 ppm1=3.800 ppm2=1.552

assign ( resid 81 and name HA
	 )
       ( resid 81 and name HG12
	 ) 3.6 0.7 0.7 volume=119723829.375 peak=1976 ppm1=3.796 ppm2=1.030

assign ( resid 90 and name HD2#
	 )
       ( resid 81 and name HA
	 ) 3.7 0.7 0.7 volume=99768297.000 peak=1977 ppm1=0.938 ppm2=3.815

assign ( resid 81 and name HG12
	 )
       ( resid 81 and name HB
	 ) 3.3 0.7 0.7 volume=168856782.250 peak=1981 ppm1=1.030 ppm2=1.546

assign ( resid 81 and name HB
	 )
       ( resid 82 and name H
	 ) 4.2 0.8 0.8 volume=50812923.750 peak=1986 ppm1=1.547 ppm2=7.483

assign ( resid 81 and name HB
	 )
       ( resid 81 and name H
	 ) 3.3 0.7 0.7 volume=211562989.000 peak=1988 ppm1=1.547 ppm2=8.067

assign ( resid 81 and name HG12
	 )
       ( resid 82 and name H
	 ) 4.5 0.9 0.9 volume=34976495.484 peak=1989 ppm1=1.032 ppm2=7.481

assign ( resid 81 and name HG13
	 )
       ( resid 82 and name HD#
	 ) 4.4 0.9 0.9 volume=37188550.438 peak=1990 ppm1=0.650 ppm2=7.091

assign ( resid 81 and name HG2#
	 )
       ( resid 52 and name H
	 ) 4.5 0.9 0.9 volume=33645865.688 peak=1992 ppm1=0.238 ppm2=9.124

assign ( resid 82 and name HA
	 )
       ( resid 83 and name H
	 ) 4.0 0.8 0.8 volume=69009669.500 peak=1993 ppm1=4.332 ppm2=7.972

assign ( resid 82 and name HA
	 )
       ( resid 82 and name HD#
	 ) 3.4 0.7 0.7 volume=176103907.500 peak=1994 ppm1=4.336 ppm2=7.107

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HA
	 ) 3.3 0.7 0.7 volume=201885396.500 peak=1995 ppm1=2.910 ppm2=4.329

assign ( resid 82 and name HA
	 )
       ( resid 82 and name HB3
	 ) 3.2 0.6 0.6 volume=244323936.250 peak=1996 ppm1=4.337 ppm2=3.138

assign ( resid 82 and name HA
	 )
       ( resid 85 and name HB2
	 ) 3.7 0.7 0.7 volume=101709566.125 peak=1997 ppm1=4.350 ppm2=2.252

assign ( resid 82 and name HB3
	 )
       ( resid 83 and name H
	 ) 3.7 0.7 0.7 volume=112646905.000 peak=1998 ppm1=3.137 ppm2=7.958

assign ( resid 82 and name HB2
	 )
       ( resid 83 and name H
	 ) 3.7 0.7 0.7 volume=115177241.000 peak=1999 ppm1=2.909 ppm2=7.959

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name H
	 ) 3.4 0.7 0.7 volume=184160147.500 peak=2000 ppm1=3.136 ppm2=7.466

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name H
	 ) 3.3 0.7 0.7 volume=209453294.500 peak=2001 ppm1=2.909 ppm2=7.467

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HD#
	 ) 3.3 0.7 0.7 volume=194110623.750 peak=2005 ppm1=2.908 ppm2=7.106

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HB2
	 ) 2.7 0.5 0.5 volume=766736583.000 peak=2008 ppm1=3.136 ppm2=2.907

assign ( resid 82 and name HB2
	 )
       ( resid 79 and name HG2#
	 ) 3.8 0.8 0.8 volume=60401372.500 peak=2009 ppm1=2.909 ppm2=1.127

assign ( resid 83 and name HB2
	 )
       ( resid 83 and name H
	 ) 3.5 0.7 0.7 volume=141632502.500 peak=2011 ppm1=2.271 ppm2=7.961

assign ( resid 83 and name HB3
	 )
       ( resid 83 and name H
	 ) 3.6 0.7 0.7 volume=135445271.750 peak=2012 ppm1=1.831 ppm2=7.957

assign ( resid 83 and name HB2
	 )
       ( resid 84 and name H
	 ) 3.8 0.8 0.8 volume=96531080.000 peak=2013 ppm1=2.270 ppm2=7.315

assign ( resid 83 and name HB3
	 )
       ( resid 84 and name H
	 ) 3.8 0.8 0.8 volume=91915198.000 peak=2014 ppm1=1.831 ppm2=7.314

assign ( resid 83 and name HB2
	 )
       ( resid 84 and name HD2
	 ) 3.8 0.8 0.8 volume=88449727.375 peak=2015 ppm1=2.272 ppm2=6.710

assign ( resid 84 and name HD2
	 )
       ( resid 83 and name HB3
	 ) 3.8 0.8 0.8 volume=89595928.750 peak=2016 ppm1=6.712 ppm2=1.835

assign ( resid 83 and name HB3
	 )
       ( resid 83 and name HA
	 ) 3.0 0.6 0.6 volume=315694633.000 peak=2017 ppm1=1.831 ppm2=3.971

assign ( resid 83 and name HB3
	 )
       ( resid 83 and name HB2
	 ) 2.9 0.6 0.6 volume=483301546.000 peak=2020 ppm1=1.831 ppm2=2.271

assign ( resid 84 and name HB3
	 )
       ( resid 84 and name H
	 ) 3.8 0.8 0.8 volume=89240606.375 peak=2021 ppm1=3.089 ppm2=7.318

assign ( resid 84 and name HB2
	 )
       ( resid 84 and name H
	 ) 4.0 0.8 0.8 volume=71213183.000 peak=2022 ppm1=2.293 ppm2=7.319

assign ( resid 84 and name HD2
	 )
       ( resid 84 and name HB3
	 ) 4.0 0.8 0.8 volume=66829730.500 peak=2023 ppm1=6.712 ppm2=3.089

assign ( resid 84 and name HB3
	 )
       ( resid 84 and name HB2
	 ) 3.0 0.6 0.6 volume=317564056.500 peak=2025 ppm1=3.090 ppm2=2.293

assign ( resid 89 and name HB#
	 )
       ( resid 84 and name HB3
	 ) 3.6 0.7 0.7 volume=104436572.750 peak=2027 ppm1=1.644 ppm2=3.081

assign ( resid 84 and name HB2
	 )
       ( resid 89 and name HB#
	 ) 3.3 0.7 0.7 volume=124764222.250 peak=2028 ppm1=2.298 ppm2=1.644

assign ( resid 85 and name HA
	 )
       ( resid 86 and name H
	 ) 3.8 0.8 0.8 volume=85196558.750 peak=2029 ppm1=5.132 ppm2=7.348

assign ( resid 85 and name HA
	 )
       ( resid 51 and name HE#
	 ) 3.8 0.8 0.8 volume=93587220.000 peak=2030 ppm1=5.125 ppm2=7.562

assign ( resid 85 and name HA
	 )
       ( resid 81 and name HA
	 ) 4.1 0.8 0.8 volume=57920994.594 peak=2032 ppm1=5.131 ppm2=3.809

assign ( resid 85 and name HD3
	 )
       ( resid 85 and name HA
	 ) 4.2 0.8 0.8 volume=52686058.562 peak=2033 ppm1=3.330 ppm2=5.134

assign ( resid 85 and name HA
	 )
       ( resid 51 and name HB2
	 ) 4.0 0.8 0.8 volume=68274058.500 peak=2034 ppm1=5.133 ppm2=2.765

assign ( resid 85 and name HA
	 )
       ( resid 81 and name HD1#
	 ) 4.0 0.8 0.8 volume=62239554.875 peak=2036 ppm1=5.122 ppm2=0.149

assign ( resid 85 and name HG2
	 )
       ( resid 85 and name HB2
	 ) 3.2 0.6 0.6 volume=210866828.500 peak=2038 ppm1=1.983 ppm2=2.262

assign ( resid 85 and name HD3
	 )
       ( resid 85 and name HB3
	 ) 3.5 0.7 0.7 volume=90345655.000 peak=2040 ppm1=3.334 ppm2=2.323

assign ( resid 85 and name HB2
	 )
       ( resid 85 and name HD3
	 ) 3.4 0.7 0.7 volume=77717491.125 peak=2041 ppm1=2.263 ppm2=3.328

assign ( resid 85 and name HB3
	 )
       ( resid 85 and name HA
	 ) 3.3 0.7 0.7 volume=217172791.000 peak=2042 ppm1=2.325 ppm2=5.128

assign ( resid 85 and name HA
	 )
       ( resid 85 and name HB2
	 ) 2.9 0.6 0.6 volume=195350702.500 peak=2043 ppm1=5.129 ppm2=2.271

assign ( resid 85 and name HG2
	 )
       ( resid 85 and name HA
	 ) 4.2 0.8 0.8 volume=49493565.938 peak=2050 ppm1=1.988 ppm2=5.129

assign ( resid 85 and name HG3
	 )
       ( resid 85 and name HA
	 ) 4.4 0.9 0.9 volume=39710216.312 peak=2051 ppm1=1.896 ppm2=5.126

assign ( resid 85 and name HG2
	 )
       ( resid 86 and name H
	 ) 4.3 0.9 0.9 volume=43557658.188 peak=2052 ppm1=1.986 ppm2=7.364

assign ( resid 85 and name HG3
	 )
       ( resid 86 and name H
	 ) 4.1 0.8 0.8 volume=56028661.375 peak=2053 ppm1=1.893 ppm2=7.361

assign ( resid 85 and name HG3
	 )
       ( resid 85 and name HB3
	 ) 3.2 0.6 0.6 volume=245393320.000 peak=2054 ppm1=1.893 ppm2=2.325

assign ( resid 85 and name HG2
	 )
       ( resid 85 and name HB3
	 ) 3.2 0.6 0.6 volume=278292176.000 peak=2055 ppm1=1.983 ppm2=2.324

assign ( resid 85 and name HB2
	 )
       ( resid 85 and name HG3
	 ) 3.3 0.7 0.7 volume=194333161.250 peak=2056 ppm1=2.264 ppm2=1.892

assign ( resid 85 and name HG3
	 )
       ( resid 85 and name HG2
	 ) 2.5 0.5 0.5 volume=932348286.000 peak=2059 ppm1=1.895 ppm2=1.987

assign ( resid 85 and name HG3
	 )
       ( resid 89 and name HB#
	 ) 4.0 0.8 0.8 volume=62942148.125 peak=2061 ppm1=1.892 ppm2=1.645

assign ( resid 85 and name HD2
	 )
       ( resid 85 and name HB3
	 ) 3.6 0.7 0.7 volume=135880638.000 peak=2063 ppm1=3.585 ppm2=2.323

assign ( resid 86 and name HB
	 )
       ( resid 87 and name HD2
	 ) 3.3 0.7 0.7 volume=203519671.500 peak=2064 ppm1=4.377 ppm2=3.694

assign ( resid 86 and name HB
	 )
       ( resid 88 and name H
	 ) 3.6 0.7 0.7 volume=130985896.500 peak=2065 ppm1=4.376 ppm2=8.972

assign ( resid 86 and name HB
	 )
       ( resid 50 and name H
	 ) 4.5 0.9 0.9 volume=33945961.750 peak=2066 ppm1=4.379 ppm2=8.722

assign ( resid 86 and name HB
	 )
       ( resid 51 and name H
	 ) 4.2 0.8 0.8 volume=47652013.938 peak=2067 ppm1=4.376 ppm2=8.621

assign ( resid 86 and name HB
	 )
       ( resid 89 and name H
	 ) 3.8 0.8 0.8 volume=84535249.125 peak=2068 ppm1=4.377 ppm2=8.361

assign ( resid 86 and name HB
	 )
       ( resid 49 and name H
	 ) 4.4 0.9 0.9 volume=37750221.297 peak=2069 ppm1=4.377 ppm2=7.486

assign ( resid 88 and name HB2
	 )
       ( resid 86 and name HB
	 ) 3.9 0.8 0.8 volume=50036033.375 peak=2070 ppm1=2.806 ppm2=4.374

assign ( resid 86 and name HB
	 )
       ( resid 87 and name HD3
	 ) 3.5 0.7 0.7 volume=141193597.250 peak=2071 ppm1=4.376 ppm2=2.468

assign ( resid 86 and name HB
	 )
       ( resid 89 and name HB#
	 ) 4.2 0.8 0.8 volume=47434831.938 peak=2072 ppm1=4.379 ppm2=1.636

assign ( resid 86 and name HB
	 )
       ( resid 48 and name HB#
	 ) 3.8 0.8 0.8 volume=90678069.750 peak=2073 ppm1=4.377 ppm2=1.266

assign ( resid 86 and name HB
	 )
       ( resid 86 and name HG2#
	 ) 2.8 0.6 0.6 volume=542996443.000 peak=2074 ppm1=4.376 ppm2=0.939

assign ( resid 87 and name HA
	 )
       ( resid 47 and name HA
	 ) 3.9 0.8 0.8 volume=73376583.500 peak=2075 ppm1=4.028 ppm2=4.143

assign ( resid 87 and name HA
	 )
       ( resid 86 and name HA
	 ) 4.3 0.9 0.9 volume=41691884.688 peak=2076 ppm1=4.033 ppm2=4.367

assign ( resid 87 and name HA
	 )
       ( resid 51 and name HZ
	 ) 3.2 0.6 0.6 volume=272261890.500 peak=2077 ppm1=4.029 ppm2=6.832

assign ( resid 87 and name HA
	 )
       ( resid 51 and name HE#
	 ) 3.5 0.7 0.7 volume=152075766.750 peak=2078 ppm1=4.030 ppm2=7.565

assign ( resid 87 and name HA
	 )
       ( resid 88 and name H
	 ) 4.2 0.8 0.8 volume=49751089.750 peak=2079 ppm1=4.035 ppm2=8.982

assign ( resid 87 and name HA
	 )
       ( resid 91 and name H
	 ) 4.3 0.9 0.9 volume=40243813.062 peak=2080 ppm1=4.033 ppm2=8.870

assign ( resid 87 and name HA
	 )
       ( resid 90 and name H
	 ) 4.0 0.8 0.8 volume=67010258.875 peak=2081 ppm1=4.028 ppm2=8.758

assign ( resid 87 and name HA
	 )
       ( resid 87 and name HD2
	 ) 4.4 0.9 0.9 volume=38789111.000 peak=2082 ppm1=4.022 ppm2=3.686

assign ( resid 87 and name HA
	 )
       ( resid 90 and name HB3
	 ) 3.2 0.6 0.6 volume=268196413.000 peak=2083 ppm1=4.031 ppm2=2.200

assign ( resid 87 and name HA
	 )
       ( resid 89 and name HB#
	 ) 4.2 0.8 0.8 volume=52545263.875 peak=2085 ppm1=4.031 ppm2=1.617

assign ( resid 29 and name HG2#
	 )
       ( resid 87 and name HA
	 ) 3.0 0.6 0.6 volume=343560531.500 peak=2086 ppm1=1.049 ppm2=4.027

assign ( resid 87 and name HA
	 )
       ( resid 87 and name HB2
	 ) 3.4 0.7 0.7 volume=177461305.250 peak=2087 ppm1=4.030 ppm2=1.951

assign ( resid 87 and name HB2
	 )
       ( resid 26 and name HA
	 ) 3.3 0.7 0.7 volume=205779255.500 peak=2088 ppm1=1.956 ppm2=4.138

assign ( resid 87 and name HB2
	 )
       ( resid 88 and name H
	 ) 4.0 0.8 0.8 volume=68537159.250 peak=2090 ppm1=1.963 ppm2=8.976

assign ( resid 87 and name HD2
	 )
       ( resid 54 and name HD2#
	 ) 3.8 0.8 0.8 volume=93358786.750 peak=2092 ppm1=3.690 ppm2=0.708

assign ( resid 87 and name HD2
	 )
       ( resid 86 and name HG2#
	 ) 3.8 0.8 0.8 volume=96117852.875 peak=2093 ppm1=3.693 ppm2=0.943

assign ( resid 87 and name HD2
	 )
       ( resid 48 and name HB#
	 ) 3.6 0.7 0.7 volume=116225417.000 peak=2094 ppm1=3.693 ppm2=1.248

assign ( resid 87 and name HD3
	 )
       ( resid 87 and name HB2
	 ) 4.3 0.9 0.9 volume=44372566.500 peak=2095 ppm1=2.472 ppm2=1.956

assign ( resid 87 and name HD3
	 )
       ( resid 51 and name H
	 ) 4.3 0.9 0.9 volume=43910923.688 peak=2096 ppm1=2.472 ppm2=8.623

assign ( resid 88 and name HA
	 )
       ( resid 88 and name H
	 ) 3.3 0.7 0.7 volume=199515758.500 peak=2097 ppm1=4.198 ppm2=8.975

assign ( resid 88 and name HA
	 )
       ( resid 91 and name H
	 ) 3.8 0.8 0.8 volume=88368765.875 peak=2098 ppm1=4.196 ppm2=8.874

assign ( resid 88 and name HA
	 )
       ( resid 89 and name H
	 ) 4.0 0.8 0.8 volume=69532675.500 peak=2099 ppm1=4.197 ppm2=8.357

assign ( resid 88 and name HA
	 )
       ( resid 92 and name H
	 ) 4.2 0.8 0.8 volume=53024857.562 peak=2100 ppm1=4.196 ppm2=7.824

assign ( resid 88 and name HD2
	 )
       ( resid 88 and name HA
	 ) 4.5 0.9 0.9 volume=31998270.875 peak=2101 ppm1=6.850 ppm2=4.200

assign ( resid 88 and name HA
	 )
       ( resid 91 and name HB
	 ) 3.2 0.6 0.6 volume=242832611.000 peak=2102 ppm1=4.198 ppm2=4.336

assign ( resid 88 and name HA
	 )
       ( resid 88 and name HB2
	 ) 3.0 0.6 0.6 volume=353586369.000 peak=2103 ppm1=4.196 ppm2=2.838

assign ( resid 88 and name HA
	 )
       ( resid 47 and name HB3
	 ) 3.9 0.8 0.8 volume=74984862.625 peak=2104 ppm1=4.200 ppm2=2.351

assign ( resid 88 and name HA
	 )
       ( resid 47 and name HB2
	 ) 3.8 0.8 0.8 volume=94846966.750 peak=2105 ppm1=4.197 ppm2=1.915

assign ( resid 88 and name HA
	 )
       ( resid 91 and name HG2#
	 ) 3.6 0.7 0.7 volume=133971903.500 peak=2106 ppm1=4.197 ppm2=1.008

assign ( resid 88 and name HB3
	 )
       ( resid 47 and name HB3
	 ) 3.8 0.8 0.8 volume=85043394.375 peak=2107 ppm1=2.861 ppm2=2.350

assign ( resid 88 and name HB3
	 )
       ( resid 86 and name HB
	 ) 3.8 0.8 0.8 volume=84458891.250 peak=2109 ppm1=2.851 ppm2=4.378

assign ( resid 26 and name HA
	 )
       ( resid 30 and name H
	 ) 4.1 0.8 0.8 volume=57581211.625 peak=2113 ppm1=4.157 ppm2=8.635

assign ( resid 89 and name HB#
	 )
       ( resid 86 and name HG2#
	 ) 3.2 0.6 0.6 volume=240592973.250 peak=2116 ppm1=1.644 ppm2=0.950

assign ( resid 89 and name HB#
	 )
       ( resid 90 and name HB3
	 ) 3.6 0.7 0.7 volume=116204794.000 peak=2118 ppm1=1.644 ppm2=2.158

assign ( resid 85 and name HG2
	 )
       ( resid 89 and name HB#
	 ) 3.6 0.7 0.7 volume=130545241.250 peak=2119 ppm1=1.983 ppm2=1.646

assign ( resid 89 and name HB#
	 )
       ( resid 92 and name HB3
	 ) 3.7 0.7 0.7 volume=113717566.250 peak=2120 ppm1=1.644 ppm2=2.093

assign ( resid 89 and name HB#
	 )
       ( resid 93 and name HB2
	 ) 4.5 0.9 0.9 volume=32874541.656 peak=2121 ppm1=1.646 ppm2=2.425

assign ( resid 89 and name HB#
	 )
       ( resid 88 and name HB2
	 ) 3.7 0.7 0.7 volume=103204409.000 peak=2122 ppm1=1.643 ppm2=2.811

assign ( resid 89 and name HB#
	 )
       ( resid 85 and name HD2
	 ) 3.3 0.7 0.7 volume=201566952.250 peak=2123 ppm1=1.644 ppm2=3.584

assign ( resid 89 and name HB#
	 )
       ( resid 89 and name HA
	 ) 2.5 0.5 0.5 volume=1130948152.000 peak=2126 ppm1=1.644 ppm2=4.087

assign ( resid 89 and name HB#
	 )
       ( resid 86 and name HA
	 ) 3.7 0.7 0.7 volume=112805915.750 peak=2127 ppm1=1.643 ppm2=4.366

assign ( resid 90 and name HA
	 )
       ( resid 89 and name HB#
	 ) 3.6 0.7 0.7 volume=111135344.500 peak=2128 ppm1=3.990 ppm2=1.621

assign ( resid 89 and name HB#
	 )
       ( resid 86 and name H
	 ) 2.7 0.5 0.5 volume=685581018.000 peak=2130 ppm1=1.644 ppm2=7.363

assign ( resid 89 and name HB#
	 )
       ( resid 93 and name H
	 ) 3.9 0.8 0.8 volume=74986539.250 peak=2131 ppm1=1.642 ppm2=7.805

assign ( resid 89 and name HB#
	 )
       ( resid 51 and name HE#
	 ) 4.1 0.8 0.8 volume=53788589.562 peak=2132 ppm1=1.645 ppm2=7.561

assign ( resid 89 and name HB#
	 )
       ( resid 89 and name H
	 ) 2.8 0.6 0.6 volume=609421334.000 peak=2133 ppm1=1.644 ppm2=8.363

assign ( resid 89 and name HB#
	 )
       ( resid 91 and name H
	 ) 4.4 0.9 0.9 volume=35532113.707 peak=2134 ppm1=1.643 ppm2=8.873

assign ( resid 89 and name HB#
	 )
       ( resid 90 and name H
	 ) 3.0 0.6 0.6 volume=355079404.500 peak=2135 ppm1=1.643 ppm2=8.760

assign ( resid 89 and name HB#
	 )
       ( resid 88 and name H
	 ) 4.3 0.9 0.9 volume=45520911.000 peak=2136 ppm1=1.643 ppm2=8.978

assign ( resid 90 and name HA
	 )
       ( resid 91 and name H
	 ) 4.3 0.9 0.9 volume=45993558.750 peak=2137 ppm1=3.996 ppm2=8.882

assign ( resid 90 and name HA
	 )
       ( resid 90 and name H
	 ) 3.6 0.7 0.7 volume=134049375.250 peak=2138 ppm1=3.994 ppm2=8.761

assign ( resid 90 and name HA
	 )
       ( resid 84 and name HB3
	 ) 3.6 0.7 0.7 volume=122865253.750 peak=2139 ppm1=3.996 ppm2=3.089

assign ( resid 93 and name HB2
	 )
       ( resid 90 and name HA
	 ) 3.8 0.8 0.8 volume=74691276.625 peak=2140 ppm1=2.452 ppm2=4.000

assign ( resid 90 and name HA
	 )
       ( resid 84 and name HB2
	 ) 3.4 0.7 0.7 volume=166025537.750 peak=2141 ppm1=3.996 ppm2=2.294

assign ( resid 90 and name HB3
	 )
       ( resid 90 and name HA
	 ) 3.5 0.7 0.7 volume=124906088.000 peak=2142 ppm1=2.155 ppm2=4.011

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HB2
	 ) 3.4 0.7 0.7 volume=177987575.500 peak=2143 ppm1=3.996 ppm2=1.914

assign ( resid 90 and name HA
	 )
       ( resid 94 and name HD1#
	 ) 3.8 0.8 0.8 volume=90357483.625 peak=2145 ppm1=3.990 ppm2=0.714

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HD2#
	 ) 2.8 0.6 0.6 volume=547622232.000 peak=2146 ppm1=3.995 ppm2=0.960

assign ( resid 90 and name HB3
	 )
       ( resid 90 and name HB2
	 ) 3.2 0.6 0.6 volume=254350035.500 peak=2147 ppm1=2.155 ppm2=1.914

assign ( resid 13 and name HB3
	 )
       ( resid 21 and name HG3
	 ) 4.2 0.8 0.8 volume=47629931.750 peak=2149 ppm1=1.918 ppm2=2.299

assign ( resid 51 and name HZ
	 )
       ( resid 90 and name HB2
	 ) 4.2 0.8 0.8 volume=49990513.062 peak=2152 ppm1=6.829 ppm2=1.933

assign ( resid 90 and name HB3
	 )
       ( resid 91 and name H
	 ) 4.1 0.8 0.8 volume=53780780.875 peak=2153 ppm1=2.153 ppm2=8.881

assign ( resid 90 and name HB3
	 )
       ( resid 90 and name H
	 ) 3.5 0.7 0.7 volume=156853436.250 peak=2154 ppm1=2.155 ppm2=8.760

assign ( resid 90 and name HB2
	 )
       ( resid 90 and name H
	 ) 3.5 0.7 0.7 volume=145608466.250 peak=2155 ppm1=1.913 ppm2=8.761

assign ( resid 90 and name HG
	 )
       ( resid 90 and name HB3
	 ) 3.7 0.7 0.7 volume=100505729.500 peak=2156 ppm1=1.576 ppm2=2.156

assign ( resid 90 and name HG
	 )
       ( resid 90 and name HA
	 ) 3.9 0.8 0.8 volume=74853125.625 peak=2157 ppm1=1.573 ppm2=4.004

assign ( resid 90 and name HD2#
	 )
       ( resid 90 and name HB2
	 ) 3.1 0.6 0.6 volume=317972437.500 peak=2158 ppm1=0.931 ppm2=1.915

assign ( resid 90 and name HD2#
	 )
       ( resid 90 and name HB3
	 ) 3.1 0.6 0.6 volume=302475703.500 peak=2159 ppm1=0.934 ppm2=2.165

assign ( resid 90 and name HD2#
	 )
       ( resid 51 and name HZ
	 ) 3.1 0.6 0.6 volume=336722529.500 peak=2161 ppm1=0.931 ppm2=6.832

assign ( resid 90 and name HD2#
	 )
       ( resid 51 and name HD#
	 ) 4.3 0.9 0.9 volume=43326294.219 peak=2162 ppm1=0.934 ppm2=7.114

assign ( resid 90 and name HD2#
	 )
       ( resid 51 and name HE#
	 ) 3.2 0.6 0.6 volume=254162068.500 peak=2163 ppm1=0.934 ppm2=7.561

assign ( resid 90 and name HD2#
	 )
       ( resid 90 and name H
	 ) 3.7 0.7 0.7 volume=98079852.000 peak=2164 ppm1=0.936 ppm2=8.763

assign ( resid 90 and name HD2#
	 )
       ( resid 91 and name HA
	 ) 3.9 0.8 0.8 volume=80407412.125 peak=2166 ppm1=0.936 ppm2=3.463

assign ( resid 90 and name HD2#
	 )
       ( resid 90 and name HG
	 ) 2.7 0.5 0.5 volume=735093426.000 peak=2167 ppm1=0.933 ppm2=1.578

assign ( resid 90 and name HD2#
	 )
       ( resid 94 and name HD1#
	 ) 2.5 0.5 0.5 volume=1068588501.000 peak=2168 ppm1=0.933 ppm2=0.722

assign ( resid 90 and name HD2#
	 )
       ( resid 64 and name HD1#
	 ) 3.0 0.6 0.6 volume=159359926.500 peak=2169 ppm1=0.932 ppm2=0.393

assign ( resid 91 and name HB
	 )
       ( resid 91 and name HA
	 ) 4.1 0.8 0.8 volume=58378629.750 peak=2172 ppm1=4.334 ppm2=3.452

assign ( resid 91 and name HA
	 )
       ( resid 91 and name H
	 ) 3.6 0.7 0.7 volume=127837706.000 peak=2173 ppm1=3.454 ppm2=8.877

assign ( resid 91 and name HA
	 )
       ( resid 94 and name H
	 ) 3.9 0.8 0.8 volume=76538654.375 peak=2174 ppm1=3.454 ppm2=8.518

assign ( resid 91 and name HA
	 )
       ( resid 92 and name H
	 ) 4.1 0.8 0.8 volume=56282914.250 peak=2175 ppm1=3.452 ppm2=7.817

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HB2
	 ) 3.5 0.7 0.7 volume=145939796.250 peak=2176 ppm1=3.454 ppm2=1.947

assign ( resid 91 and name HA
	 )
       ( resid 90 and name HB3
	 ) 4.4 0.9 0.9 volume=38252158.438 peak=2177 ppm1=3.457 ppm2=2.166

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HG
	 ) 3.9 0.8 0.8 volume=77715713.375 peak=2178 ppm1=3.455 ppm2=2.034

assign ( resid 91 and name HA
	 )
       ( resid 90 and name HG
	 ) 4.3 0.9 0.9 volume=43555092.438 peak=2179 ppm1=3.458 ppm2=1.577

assign ( resid 91 and name HA
	 )
       ( resid 25 and name HB3
	 ) 4.2 0.8 0.8 volume=51109192.062 peak=2180 ppm1=3.454 ppm2=1.245

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HB3
	 ) 3.9 0.8 0.8 volume=75996329.312 peak=2181 ppm1=3.455 ppm2=1.123

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HD1#
	 ) 3.2 0.6 0.6 volume=245887566.500 peak=2183 ppm1=3.456 ppm2=0.716

assign ( resid 91 and name HA
	 )
       ( resid 25 and name HD1#
	 ) 3.8 0.8 0.8 volume=92245864.750 peak=2184 ppm1=3.454 ppm2=0.791

assign ( resid 91 and name HG2#
	 )
       ( resid 91 and name HA
	 ) 2.7 0.5 0.5 volume=716286325.000 peak=2185 ppm1=1.011 ppm2=3.445

assign ( resid 29 and name HG2#
	 )
       ( resid 28 and name HD2#
	 ) 3.0 0.6 0.6 volume=362701926.000 peak=2187 ppm1=1.011 ppm2=0.794

assign ( resid 91 and name HG2#
	 )
       ( resid 94 and name HD1#
	 ) 3.0 0.6 0.6 volume=358387648.000 peak=2188 ppm1=1.011 ppm2=0.738

assign ( resid 92 and name HA
	 )
       ( resid 91 and name HG2#
	 ) 3.8 0.8 0.8 volume=86815489.875 peak=2189 ppm1=3.903 ppm2=1.013

assign ( resid 92 and name HA
	 )
       ( resid 25 and name HD1#
	 ) 4.1 0.8 0.8 volume=54218640.625 peak=2190 ppm1=3.904 ppm2=0.795

assign ( resid 92 and name HA
	 )
       ( resid 92 and name HB2
	 ) 3.2 0.6 0.6 volume=268972998.000 peak=2192 ppm1=3.906 ppm2=1.975

assign ( resid 95 and name HB2
	 )
       ( resid 92 and name HA
	 ) 3.4 0.7 0.7 volume=169655790.500 peak=2194 ppm1=2.911 ppm2=3.906

assign ( resid 92 and name HA
	 )
       ( resid 96 and name H
	 ) 4.2 0.8 0.8 volume=51988794.562 peak=2195 ppm1=3.903 ppm2=8.232

assign ( resid 92 and name HA
	 )
       ( resid 95 and name H
	 ) 3.6 0.7 0.7 volume=122161248.750 peak=2196 ppm1=3.904 ppm2=8.556

assign ( resid 92 and name HB3
	 )
       ( resid 92 and name HA
	 ) 2.8 0.6 0.6 volume=392259895.000 peak=2198 ppm1=2.079 ppm2=3.902

assign ( resid 92 and name HB2
	 )
       ( resid 89 and name HA
	 ) 3.4 0.7 0.7 volume=98265471.375 peak=2199 ppm1=1.976 ppm2=4.086

assign ( resid 92 and name HB2
	 )
       ( resid 92 and name HB3
	 ) 2.4 0.5 0.5 volume=1476647856.000 peak=2200 ppm1=1.978 ppm2=2.082

assign ( resid 92 and name HB3
	 )
       ( resid 92 and name H
	 ) 3.0 0.6 0.6 volume=373622240.500 peak=2201 ppm1=2.071 ppm2=7.815

assign ( resid 92 and name HB2
	 )
       ( resid 92 and name H
	 ) 3.1 0.6 0.6 volume=288929125.500 peak=2202 ppm1=1.977 ppm2=7.816

assign ( resid 92 and name HG2
	 )
       ( resid 92 and name HA
	 ) 3.3 0.7 0.7 volume=226558743.500 peak=2203 ppm1=2.152 ppm2=3.903

assign ( resid 92 and name HG3
	 )
       ( resid 92 and name HA
	 ) 3.3 0.7 0.7 volume=209649553.500 peak=2204 ppm1=2.085 ppm2=3.904

assign ( resid 92 and name HG2
	 )
       ( resid 91 and name HB
	 ) 4.5 0.9 0.9 volume=34888755.594 peak=2205 ppm1=2.152 ppm2=4.345

assign ( resid 92 and name HG2
	 )
       ( resid 88 and name HA
	 ) 4.5 0.9 0.9 volume=33764630.562 peak=2207 ppm1=2.147 ppm2=4.195

assign ( resid 100 and name HG2
	 )
       ( resid 99 and name HB
	 ) 4.5 0.9 0.9 volume=32245463.531 peak=2208 ppm1=2.083 ppm2=4.191

assign ( resid 92 and name HG2
	 )
       ( resid 89 and name HA
	 ) 3.7 0.7 0.7 volume=106074881.875 peak=2209 ppm1=2.151 ppm2=4.089

assign ( resid 92 and name HG3
	 )
       ( resid 89 and name HA
	 ) 3.8 0.8 0.8 volume=95513332.250 peak=2210 ppm1=2.085 ppm2=4.087

assign ( resid 92 and name HG2
	 )
       ( resid 92 and name H
	 ) 3.1 0.6 0.6 volume=312081874.000 peak=2211 ppm1=2.152 ppm2=7.821

assign ( resid 92 and name HG3
	 )
       ( resid 92 and name H
	 ) 3.1 0.6 0.6 volume=296541296.500 peak=2212 ppm1=2.085 ppm2=7.820

assign ( resid 92 and name HG2
	 )
       ( resid 92 and name HB2
	 ) 2.7 0.5 0.5 volume=640311127.000 peak=2213 ppm1=2.152 ppm2=1.969

assign ( resid 92 and name HG3
	 )
       ( resid 92 and name HB2
	 ) 2.8 0.6 0.6 volume=595633879.000 peak=2214 ppm1=2.085 ppm2=1.969

assign ( resid 92 and name HG3
	 )
       ( resid 91 and name HG2#
	 ) 4.4 0.9 0.9 volume=38982216.875 peak=2215 ppm1=2.093 ppm2=1.013

assign ( resid 92 and name HG2
	 )
       ( resid 91 and name HG2#
	 ) 4.3 0.9 0.9 volume=44468610.969 peak=2216 ppm1=2.153 ppm2=1.007

assign ( resid 93 and name HA
	 )
       ( resid 96 and name HG2#
	 ) 3.5 0.7 0.7 volume=138379259.750 peak=2217 ppm1=4.179 ppm2=1.142

assign ( resid 93 and name HA
	 )
       ( resid 92 and name HB3
	 ) 4.3 0.9 0.9 volume=46041774.938 peak=2218 ppm1=4.183 ppm2=2.080

assign ( resid 93 and name HA
	 )
       ( resid 90 and name HA
	 ) 4.1 0.8 0.8 volume=61576613.375 peak=2221 ppm1=4.173 ppm2=3.983

assign ( resid 93 and name HA
	 )
       ( resid 94 and name H
	 ) 3.8 0.8 0.8 volume=86336999.250 peak=2222 ppm1=4.179 ppm2=8.510

assign ( resid 93 and name HA
	 )
       ( resid 96 and name H
	 ) 3.9 0.8 0.8 volume=81101657.375 peak=2223 ppm1=4.178 ppm2=8.230

assign ( resid 93 and name HA
	 )
       ( resid 93 and name H
	 ) 3.2 0.6 0.6 volume=260650406.000 peak=2224 ppm1=4.180 ppm2=7.795

assign ( resid 94 and name HA
	 )
       ( resid 94 and name H
	 ) 3.4 0.7 0.7 volume=174547722.750 peak=2225 ppm1=3.489 ppm2=8.513

assign ( resid 94 and name HA
	 )
       ( resid 98 and name H
	 ) 4.3 0.9 0.9 volume=40986127.562 peak=2226 ppm1=3.490 ppm2=8.039

assign ( resid 94 and name HA
	 )
       ( resid 97 and name H
	 ) 3.8 0.8 0.8 volume=90055335.125 peak=2227 ppm1=3.491 ppm2=7.768

assign ( resid 94 and name HA
	 )
       ( resid 93 and name HD2
	 ) 4.5 0.9 0.9 volume=33682666.750 peak=2228 ppm1=3.487 ppm2=5.984

assign ( resid 94 and name HA
	 )
       ( resid 93 and name HA
	 ) 4.3 0.9 0.9 volume=41671358.438 peak=2229 ppm1=3.494 ppm2=4.178

assign ( resid 97 and name HA
	 )
       ( resid 94 and name HA
	 ) 4.3 0.9 0.9 volume=35283148.344 peak=2230 ppm1=3.907 ppm2=3.480

assign ( resid 94 and name HB2
	 )
       ( resid 94 and name HA
	 ) 3.4 0.7 0.7 volume=189754304.500 peak=2231 ppm1=1.950 ppm2=3.476

assign ( resid 94 and name HA
	 )
       ( resid 97 and name HB2
	 ) 3.6 0.7 0.7 volume=125215760.000 peak=2232 ppm1=3.491 ppm2=1.646

assign ( resid 94 and name HA
	 )
       ( resid 74 and name HB2
	 ) 4.1 0.8 0.8 volume=57869571.875 peak=2235 ppm1=3.493 ppm2=0.991

assign ( resid 94 and name HA
	 )
       ( resid 94 and name HD1#
	 ) 2.6 0.5 0.5 volume=866985672.000 peak=2236 ppm1=3.490 ppm2=0.717

assign ( resid 94 and name HB3
	 )
       ( resid 94 and name HD1#
	 ) 2.8 0.6 0.6 volume=618098389.000 peak=2238 ppm1=1.128 ppm2=0.722

assign ( resid 94 and name HB2
	 )
       ( resid 94 and name HD1#
	 ) 2.7 0.5 0.5 volume=664545211.000 peak=2239 ppm1=1.952 ppm2=0.718

assign ( resid 94 and name HB2
	 )
       ( resid 94 and name HB3
	 ) 2.9 0.6 0.6 volume=441100710.000 peak=2240 ppm1=1.950 ppm2=1.127

assign ( resid 94 and name HB3
	 )
       ( resid 94 and name H
	 ) 3.7 0.7 0.7 volume=104000066.750 peak=2241 ppm1=1.124 ppm2=8.523

assign ( resid 95 and name HA
	 )
       ( resid 95 and name H
	 ) 3.4 0.7 0.7 volume=178387828.500 peak=2242 ppm1=3.767 ppm2=8.560

assign ( resid 95 and name HA
	 )
       ( resid 96 and name H
	 ) 4.1 0.8 0.8 volume=54441419.406 peak=2243 ppm1=3.763 ppm2=8.232

assign ( resid 95 and name HA
	 )
       ( resid 98 and name HB3
	 ) 3.4 0.7 0.7 volume=163521308.500 peak=2247 ppm1=3.768 ppm2=1.668

assign ( resid 95 and name HA
	 )
       ( resid 25 and name HD1#
	 ) 2.7 0.5 0.5 volume=683782718.000 peak=2248 ppm1=3.762 ppm2=0.788

assign ( resid 95 and name HB3
	 )
       ( resid 95 and name HB2
	 ) 2.9 0.6 0.6 volume=461039863.000 peak=2250 ppm1=3.243 ppm2=2.911

assign ( resid 95 and name HB3
	 )
       ( resid 95 and name HA
	 ) 3.3 0.7 0.7 volume=161787067.500 peak=2251 ppm1=3.244 ppm2=3.757

assign ( resid 95 and name HB2
	 )
       ( resid 95 and name HA
	 ) 3.3 0.7 0.7 volume=190927225.000 peak=2252 ppm1=2.912 ppm2=3.760

assign ( resid 95 and name HB2
	 )
       ( resid 91 and name HG2#
	 ) 4.0 0.8 0.8 volume=50404701.750 peak=2253 ppm1=2.911 ppm2=1.016

assign ( resid 92 and name HA
	 )
       ( resid 95 and name HB3
	 ) 3.3 0.7 0.7 volume=159195915.750 peak=2254 ppm1=3.906 ppm2=3.243

assign ( resid 96 and name HA
	 )
       ( resid 97 and name H
	 ) 3.9 0.8 0.8 volume=82380318.500 peak=2256 ppm1=3.614 ppm2=7.768

assign ( resid 96 and name HA
	 )
       ( resid 99 and name H
	 ) 4.1 0.8 0.8 volume=55813906.375 peak=2257 ppm1=3.613 ppm2=7.411

assign ( resid 96 and name HA
	 )
       ( resid 96 and name H
	 ) 3.3 0.7 0.7 volume=225169268.500 peak=2258 ppm1=3.613 ppm2=8.229

assign ( resid 96 and name HA
	 )
       ( resid 98 and name H
	 ) 4.5 0.9 0.9 volume=30787438.500 peak=2259 ppm1=3.617 ppm2=8.037

assign ( resid 96 and name HB
	 )
       ( resid 96 and name HA
	 ) 3.1 0.6 0.6 volume=304357949.500 peak=2262 ppm1=4.166 ppm2=3.613

assign ( resid 96 and name HB
	 )
       ( resid 96 and name HG2#
	 ) 2.5 0.5 0.5 volume=1102379998.000 peak=2263 ppm1=4.167 ppm2=1.144

assign ( resid 96 and name HA
	 )
       ( resid 95 and name HB3
	 ) 4.4 0.9 0.9 volume=36969319.938 peak=2264 ppm1=3.614 ppm2=3.244

assign ( resid 41 and name HG2#
	 )
       ( resid 40 and name HB2
	 ) 4.0 0.8 0.8 volume=65011192.078 peak=2265 ppm1=1.148 ppm2=3.209

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name HA
	 ) 3.3 0.7 0.7 volume=198589780.000 peak=2267 ppm1=2.991 ppm2=3.906

assign ( resid 97 and name HD3
	 )
       ( resid 97 and name HA
	 ) 3.5 0.7 0.7 volume=102084632.625 peak=2268 ppm1=2.770 ppm2=3.906

assign ( resid 97 and name HD3
	 )
       ( resid 97 and name HG3
	 ) 3.0 0.6 0.6 volume=224827166.750 peak=2275 ppm1=2.770 ppm2=1.126

assign ( resid 97 and name HG3
	 )
       ( resid 94 and name HA
	 ) 3.8 0.8 0.8 volume=84898885.625 peak=2276 ppm1=1.125 ppm2=3.485

assign ( resid 97 and name HG3
	 )
       ( resid 96 and name HB
	 ) 3.9 0.8 0.8 volume=74861854.625 peak=2277 ppm1=1.129 ppm2=4.169

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HG3
	 ) 2.9 0.6 0.6 volume=278132225.500 peak=2278 ppm1=3.906 ppm2=1.130

assign ( resid 97 and name HG3
	 )
       ( resid 97 and name H
	 ) 3.2 0.6 0.6 volume=272686414.000 peak=2279 ppm1=1.126 ppm2=7.762

assign ( resid 97 and name HG3
	 )
       ( resid 98 and name H
	 ) 4.2 0.8 0.8 volume=52442231.203 peak=2280 ppm1=1.126 ppm2=8.048

assign ( resid 97 and name HD3
	 )
       ( resid 97 and name HD2
	 ) 2.6 0.5 0.5 volume=859924141.836 peak=2282 ppm1=2.770 ppm2=2.988

assign ( resid 97 and name HD2
	 )
       ( resid 100 and name H
	 ) 4.1 0.8 0.8 volume=55439881.375 peak=2285 ppm1=2.995 ppm2=7.696

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name H
	 ) 4.0 0.8 0.8 volume=66319396.000 peak=2286 ppm1=2.987 ppm2=7.765

assign ( resid 97 and name HD3
	 )
       ( resid 97 and name HB2
	 ) 3.7 0.7 0.7 volume=98039787.000 peak=2287 ppm1=2.771 ppm2=1.641

assign ( resid 97 and name HB2
	 )
       ( resid 97 and name HD2
	 ) 3.8 0.8 0.8 volume=89770430.188 peak=2291 ppm1=1.637 ppm2=2.995

assign ( resid 97 and name HD2
	 )
       ( resid 97 and name HG3
	 ) 2.9 0.6 0.6 volume=459015034.000 peak=2292 ppm1=2.989 ppm2=1.127

assign ( resid 98 and name HA
	 )
       ( resid 98 and name H
	 ) 3.3 0.7 0.7 volume=207021942.250 peak=2293 ppm1=4.193 ppm2=8.043

assign ( resid 98 and name HA
	 )
       ( resid 99 and name H
	 ) 3.9 0.8 0.8 volume=73667385.875 peak=2294 ppm1=4.194 ppm2=7.410

assign ( resid 98 and name HA
	 )
       ( resid 98 and name HB2
	 ) 3.1 0.6 0.6 volume=306539151.000 peak=2295 ppm1=4.194 ppm2=1.394

assign ( resid 98 and name HA
	 )
       ( resid 98 and name HD1#
	 ) 2.5 0.5 0.5 volume=889867172.000 peak=2297 ppm1=4.193 ppm2=0.876

assign ( resid 98 and name HD2#
	 )
       ( resid 98 and name HA
	 ) 3.1 0.6 0.6 volume=309217794.500 peak=2298 ppm1=0.744 ppm2=4.195

assign ( resid 98 and name HD1#
	 )
       ( resid 98 and name H
	 ) 3.3 0.7 0.7 volume=204491896.750 peak=2299 ppm1=0.875 ppm2=8.050

assign ( resid 98 and name HD1#
	 )
       ( resid 94 and name HA
	 ) 4.3 0.9 0.9 volume=41869144.273 peak=2300 ppm1=0.867 ppm2=3.496

assign ( resid 98 and name HD1#
	 )
       ( resid 95 and name HB2
	 ) 4.3 0.9 0.9 volume=43843529.453 peak=2301 ppm1=0.866 ppm2=2.940

assign ( resid 54 and name HD1#
	 )
       ( resid 64 and name HD1#
	 ) 4.0 0.8 0.8 volume=65368177.598 peak=2303 ppm1=0.871 ppm2=0.431

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HB
	 ) 2.8 0.6 0.6 volume=541185377.000 peak=2305 ppm1=4.386 ppm2=4.185

assign ( resid 99 and name HB
	 )
       ( resid 99 and name H
	 ) 3.7 0.7 0.7 volume=101885239.250 peak=2306 ppm1=4.188 ppm2=7.414

assign ( resid 99 and name HA
	 )
       ( resid 98 and name H
	 ) 4.4 0.9 0.9 volume=35966772.172 peak=2308 ppm1=4.394 ppm2=8.052

assign ( resid 99 and name HA
	 )
       ( resid 99 and name H
	 ) 3.3 0.7 0.7 volume=204505139.000 peak=2309 ppm1=4.387 ppm2=7.411

assign ( resid 99 and name HA
	 )
       ( resid 98 and name HD2#
	 ) 4.3 0.9 0.9 volume=41781030.938 peak=2311 ppm1=4.389 ppm2=0.774

assign ( resid 99 and name HG2#
	 )
       ( resid 98 and name HB3
	 ) 3.3 0.7 0.7 volume=217375893.500 peak=2312 ppm1=0.910 ppm2=1.669

assign ( resid 100 and name HG3
	 )
       ( resid 99 and name HG2#
	 ) 3.8 0.8 0.8 volume=93209439.125 peak=2313 ppm1=2.325 ppm2=0.911

assign ( resid 99 and name HG2#
	 )
       ( resid 101 and name HB2
	 ) 3.4 0.7 0.7 volume=164342547.750 peak=2314 ppm1=0.909 ppm2=3.760

assign ( resid 99 and name HB
	 )
       ( resid 99 and name HG2#
	 ) 2.6 0.5 0.5 volume=876016091.000 peak=2315 ppm1=4.188 ppm2=0.908

assign ( resid 99 and name HA
	 )
       ( resid 99 and name HG2#
	 ) 2.7 0.5 0.5 volume=735127299.000 peak=2316 ppm1=4.387 ppm2=0.910

assign ( resid 99 and name HG2#
	 )
       ( resid 95 and name HD2
	 ) 3.2 0.6 0.6 volume=240248043.500 peak=2317 ppm1=0.910 ppm2=6.543

assign ( resid 99 and name HG2#
	 )
       ( resid 99 and name H
	 ) 3.1 0.6 0.6 volume=279379090.250 peak=2318 ppm1=0.909 ppm2=7.409

assign ( resid 99 and name HG2#
	 )
       ( resid 100 and name H
	 ) 3.6 0.7 0.7 volume=120715655.250 peak=2319 ppm1=0.911 ppm2=7.696

assign ( resid 100 and name HB3
	 )
       ( resid 96 and name HG2#
	 ) 3.6 0.7 0.7 volume=123019994.500 peak=2320 ppm1=1.994 ppm2=1.145

assign ( resid 100 and name HB2
	 )
       ( resid 96 and name HG2#
	 ) 3.7 0.7 0.7 volume=99624049.625 peak=2321 ppm1=2.065 ppm2=1.146

assign ( resid 100 and name HB3
	 )
       ( resid 100 and name HG3
	 ) 2.6 0.5 0.5 volume=838966900.000 peak=2323 ppm1=1.994 ppm2=2.321

assign ( resid 100 and name HB2
	 )
       ( resid 100 and name H
	 ) 3.3 0.7 0.7 volume=205240691.750 peak=2324 ppm1=2.065 ppm2=7.689

assign ( resid 100 and name HB2
	 )
       ( resid 100 and name HG3
	 ) 2.6 0.5 0.5 volume=805178585.000 peak=2325 ppm1=2.061 ppm2=2.324

assign ( resid 100 and name HG3
	 )
       ( resid 96 and name HG2#
	 ) 3.4 0.7 0.7 volume=162841434.750 peak=2326 ppm1=2.317 ppm2=1.145

assign ( resid 100 and name HG3
	 )
       ( resid 97 and name HA
	 ) 3.9 0.8 0.8 volume=82020499.375 peak=2328 ppm1=2.313 ppm2=3.898

assign ( resid 100 and name HG3
	 )
       ( resid 96 and name HA
	 ) 4.4 0.9 0.9 volume=39505579.688 peak=2329 ppm1=2.317 ppm2=3.629

assign ( resid 101 and name HA
	 )
       ( resid 101 and name HB2
	 ) 2.4 0.5 0.5 volume=1474295082.000 peak=2332 ppm1=4.362 ppm2=3.784

assign ( resid 101 and name HB2
	 )
       ( resid 100 and name H
	 ) 4.5 0.9 0.9 volume=34010842.705 peak=2333 ppm1=3.793 ppm2=7.714

assign ( resid 101 and name HB2
	 )
       ( resid 100 and name HG2
	 or resid 100 and name HB2
	 ) 4.7 0.9 0.9 volume=26476241.699 peak=2334 ppm1=3.791 ppm2=2.055

assign ( resid 102 and name HA
	 )
       ( resid 101 and name H
	 ) 4.6 0.9 0.9 volume=29734278.598 peak=2336 ppm1=4.412 ppm2=8.343

assign ( resid 102 and name HB3
	 )
       ( resid 102 and name HB2
	 ) 1.8 0.1 0.4 volume=8033629984.000 peak=2338 ppm1=3.124 ppm2=2.990

assign ( resid 102 and name HB2
	 )
       ( resid 102 and name HA
	 ) 2.9 0.6 0.6 volume=431842171.000 peak=2340 ppm1=2.990 ppm2=4.400

assign ( resid 81 and name HG12
	 )
       ( resid 81 and name HD1#
	 ) 2.8 0.6 0.6 volume=96248002.125 peak=2343 ppm1=1.031 ppm2=0.131

assign ( resid 64 and name HD1#
	 )
       ( resid 81 and name HG2#
	 ) 3.3 0.7 0.7 volume=201555435.549 peak=2344 ppm1=0.389 ppm2=0.265

assign ( resid 90 and name HD1#
	 )
       ( resid 81 and name HG2#
	 ) 3.5 0.7 0.7 volume=80794757.500 peak=2345 ppm1=0.835 ppm2=0.242

assign ( resid 56 and name HG12
	 )
       ( resid 81 and name HG2#
	 ) 4.2 0.8 0.8 volume=51520390.936 peak=2346 ppm1=1.327 ppm2=0.229

assign ( resid 4 and name HB3
	 )
       ( resid 5 and name H
	 ) 4.5 0.9 0.9 volume=30777407.969 peak=2347 ppm1=3.954 ppm2=8.435

assign ( resid 5 and name HB#
	 )
       ( resid 4 and name HB2
	 ) 3.8 0.8 0.8 volume=91640574.000 peak=2349 ppm1=1.334 ppm2=3.813

assign ( resid 5 and name HB#
	 )
       ( resid 8 and name HB2
	 ) 3.8 0.8 0.8 volume=96205723.227 peak=2350 ppm1=1.338 ppm2=2.739

assign ( resid 5 and name HB#
	 )
       ( resid 5 and name H
	 ) 3.6 0.7 0.7 volume=133575779.750 peak=2352 ppm1=1.335 ppm2=8.449

assign ( resid 6 and name HA
	 )
       ( resid 7 and name HG2#
	 ) 4.8 1.0 1.0 volume=21177841.798 peak=2353 ppm1=4.199 ppm2=1.152

assign ( resid 6 and name HB#
	 )
       ( resid 9 and name HB3
	 ) 4.1 0.8 0.8 volume=55393061.312 peak=2354 ppm1=1.277 ppm2=1.877

assign ( resid 67 and name HB
	 )
       ( resid 36 and name HG1#
	 ) 3.9 0.8 0.8 volume=83083287.500 peak=2355 ppm1=4.231 ppm2=0.895

assign ( resid 33 and name HG2#
	 )
       ( resid 36 and name HB
	 ) 3.8 0.8 0.8 volume=95791009.000 peak=2356 ppm1=1.179 ppm2=2.112

assign ( resid 8 and name HA
	 )
       ( resid 12 and name H
	 ) 4.3 0.9 0.9 volume=44471044.875 peak=2357 ppm1=4.446 ppm2=7.930

assign ( resid 8 and name HB3
	 )
       ( resid 11 and name H
	 ) 4.5 0.9 0.9 volume=35051851.625 peak=2358 ppm1=2.640 ppm2=7.783

assign ( resid 9 and name HD2#
	 )
       ( resid 9 and name HA
	 ) 2.9 0.6 0.6 volume=418636656.500 peak=2360 ppm1=0.844 ppm2=4.053

assign ( resid 9 and name HD2#
	 )
       ( resid 10 and name H
	 ) 3.2 0.6 0.6 volume=240559489.250 peak=2362 ppm1=0.846 ppm2=8.142

assign ( resid 9 and name HD2#
	 )
       ( resid 6 and name HA
	 ) 3.8 0.8 0.8 volume=89060803.227 peak=2363 ppm1=0.845 ppm2=4.205

assign ( resid 9 and name HD2#
	 )
       ( resid 9 and name HB3
	 ) 2.8 0.6 0.6 volume=589532768.000 peak=2364 ppm1=0.844 ppm2=1.890

assign ( resid 9 and name HD2#
	 )
       ( resid 9 and name HG
	 ) 2.4 0.5 0.5 volume=1432048000.000 peak=2365 ppm1=0.843 ppm2=1.481

assign ( resid 9 and name HD2#
	 )
       ( resid 94 and name HB3
	 ) 2.8 0.6 0.6 volume=550272686.500 peak=2366 ppm1=0.844 ppm2=1.119

assign ( resid 9 and name HD2#
	 )
       ( resid 94 and name HD2#
	 ) 2.4 0.5 0.5 volume=1426640658.000 peak=2367 ppm1=0.842 ppm2=0.733

assign ( resid 64 and name HD1#
	 )
       ( resid 90 and name HD1#
	 ) 3.6 0.7 0.7 volume=110151689.875 peak=2368 ppm1=0.389 ppm2=0.856

assign ( resid 50 and name HB#
	 )
       ( resid 55 and name H
	 or resid 86 and name H
	 ) 4.2 0.8 0.8 volume=47868346.688 peak=2370 ppm1=1.473 ppm2=7.416

assign ( resid 13 and name HD2#
	 )
       ( resid 95 and name HD2
	 ) 4.0 0.8 0.8 volume=61798228.312 peak=2376 ppm1=0.750 ppm2=6.546

assign ( resid 13 and name HD2#
	 )
       ( resid 13 and name H
	 ) 3.0 0.6 0.6 volume=358482210.500 peak=2377 ppm1=0.755 ppm2=8.131

assign ( resid 13 and name HD2#
	 )
       ( resid 14 and name H
	 ) 3.8 0.8 0.8 volume=94532491.562 peak=2378 ppm1=0.754 ppm2=7.519

assign ( resid 13 and name HD2#
	 )
       ( resid 14 and name HA
	 ) 4.2 0.8 0.8 volume=46555894.938 peak=2379 ppm1=0.750 ppm2=4.376

assign ( resid 13 and name HD2#
	 )
       ( resid 11 and name HB#
	 ) 2.9 0.6 0.6 volume=454650869.000 peak=2381 ppm1=0.753 ppm2=1.465

assign ( resid 13 and name HD2#
	 )
       ( resid 24 and name HG2#
	 ) 3.5 0.7 0.7 volume=150379132.000 peak=2382 ppm1=0.754 ppm2=1.035

assign ( resid 98 and name HD2#
	 )
       ( resid 95 and name HD2
	 ) 4.0 0.8 0.8 volume=67243875.875 peak=2383 ppm1=0.747 ppm2=6.544

assign ( resid 93 and name HD2
	 )
       ( resid 94 and name HD1#
	 ) 3.2 0.6 0.6 volume=243945760.250 peak=2384 ppm1=5.986 ppm2=0.716

assign ( resid 66 and name HA
	 )
       ( resid 62 and name HD2#
	 ) 3.9 0.8 0.8 volume=82118019.312 peak=2385 ppm1=4.373 ppm2=0.929

assign ( resid 15 and name HA3
	 )
       ( resid 14 and name HB2
	 ) 4.5 0.9 0.9 volume=33715644.250 peak=2386 ppm1=3.980 ppm2=2.825

assign ( resid 51 and name HE#
	 )
       ( resid 51 and name HZ
	 ) 3.2 0.6 0.6 volume=266934962.000 peak=2387 ppm1=7.563 ppm2=6.834

assign ( resid 51 and name HZ
	 )
       ( resid 51 and name HD#
	 ) 4.2 0.8 0.8 volume=47463690.938 peak=2388 ppm1=6.836 ppm2=7.082

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HG2#
	 ) 3.5 0.7 0.7 volume=94158502.188 peak=2389 ppm1=7.107 ppm2=1.130

assign ( resid 95 and name HD2
	 )
       ( resid 22 and name H
	 ) 4.5 0.9 0.9 volume=32067136.844 peak=2390 ppm1=6.549 ppm2=8.026

assign ( resid 84 and name HD2
	 )
       ( resid 84 and name H
	 ) 4.4 0.9 0.9 volume=40069840.969 peak=2391 ppm1=6.713 ppm2=7.320

assign ( resid 70 and name HD2
	 )
       ( resid 70 and name HB3
	 ) 3.7 0.7 0.7 volume=103118552.500 peak=2392 ppm1=6.968 ppm2=3.229

assign ( resid 54 and name HG
	 )
       ( resid 51 and name HD#
	 ) 4.3 0.9 0.9 volume=45029672.812 peak=2393 ppm1=1.630 ppm2=7.100

assign ( resid 54 and name HD2#
	 )
       ( resid 54 and name HG
	 ) 2.6 0.5 0.5 volume=984372646.000 peak=2394 ppm1=0.706 ppm2=1.629

assign ( resid 74 and name HG
	 )
       ( resid 74 and name HD2#
	 ) 3.7 0.7 0.7 volume=109835350.375 peak=2396 ppm1=1.534 ppm2=0.701

assign ( resid 74 and name HG
	 )
       ( resid 74 and name HB2
	 ) 3.7 0.7 0.7 volume=102585406.500 peak=2397 ppm1=1.524 ppm2=0.998

assign ( resid 74 and name HG
	 )
       ( resid 76 and name H
	 ) 4.1 0.8 0.8 volume=60342080.875 peak=2398 ppm1=1.534 ppm2=7.861

assign ( resid 25 and name HG
	 )
       ( resid 25 and name HD1#
	 ) 2.6 0.5 0.5 volume=987339834.000 peak=2399 ppm1=1.786 ppm2=0.768

assign ( resid 25 and name HG
	 )
       ( resid 22 and name HA
	 ) 4.3 0.9 0.9 volume=44643246.875 peak=2400 ppm1=1.782 ppm2=3.405

assign ( resid 25 and name HG
	 )
       ( resid 21 and name HA
	 ) 4.2 0.8 0.8 volume=46581867.812 peak=2401 ppm1=1.790 ppm2=3.739

assign ( resid 25 and name HG
	 )
       ( resid 24 and name HB
	 ) 4.0 0.8 0.8 volume=70057362.375 peak=2402 ppm1=1.789 ppm2=4.188

assign ( resid 25 and name HG
	 )
       ( resid 25 and name HA
	 ) 3.4 0.7 0.7 volume=174513540.000 peak=2403 ppm1=1.785 ppm2=4.075

assign ( resid 25 and name HG
	 )
       ( resid 24 and name H
	 ) 4.4 0.9 0.9 volume=37481473.750 peak=2404 ppm1=1.779 ppm2=8.150

assign ( resid 1 and name HA2
	 )
       ( resid 2 and name HB#
	 ) 4.3 0.9 0.9 volume=45419329.055 peak=2406 ppm1=3.751 ppm2=1.361

assign ( resid 65 and name HD3
	 )
       ( resid 65 and name HE
	 ) 4.1 0.8 0.8 volume=58660525.625 peak=2407 ppm1=2.973 ppm2=6.800

assign ( resid 65 and name HD3
	 )
       ( resid 66 and name HA
	 ) 4.2 0.8 0.8 volume=49266514.188 peak=2408 ppm1=2.976 ppm2=4.357

assign ( resid 65 and name HD2
	 )
       ( resid 66 and name HA
	 ) 4.0 0.8 0.8 volume=70371315.125 peak=2409 ppm1=3.146 ppm2=4.334

assign ( resid 65 and name HD3
	 )
       ( resid 65 and name HD2
	 ) 2.9 0.6 0.6 volume=437580257.000 peak=2410 ppm1=2.974 ppm2=3.145

assign ( resid 65 and name HD3
	 )
       ( resid 65 and name HB3
	 or resid 65 and name HB2
	 ) 3.7 0.7 0.7 volume=105598671.875 peak=2412 ppm1=2.977 ppm2=2.067

assign ( resid 65 and name HD3
	 )
       ( resid 65 and name HB2
	 ) 3.7 0.7 0.7 volume=99967190.000 peak=2413 ppm1=2.973 ppm2=2.000

assign ( resid 65 and name HD3
	 )
       ( resid 66 and name H
	 ) 4.5 0.9 0.9 volume=34893944.781 peak=2414 ppm1=2.973 ppm2=8.801

assign ( resid 65 and name HD2
	 )
       ( resid 65 and name HE
	 ) 4.3 0.9 0.9 volume=44333630.688 peak=2415 ppm1=3.147 ppm2=6.815

assign ( resid 16 and name HB3
	 )
       ( resid 16 and name HD2#
	 ) 2.9 0.6 0.6 volume=422512668.000 peak=2421 ppm1=1.600 ppm2=0.769

assign ( resid 16 and name HD2#
	 )
       ( resid 15 and name HA2
	 ) 3.8 0.8 0.8 volume=91717150.508 peak=2422 ppm1=0.784 ppm2=3.933

assign ( resid 37 and name HD2#
	 )
       ( resid 55 and name H
	 ) 4.2 0.8 0.8 volume=50368368.625 peak=2423 ppm1=0.732 ppm2=7.419

assign ( resid 98 and name HD2#
	 )
       ( resid 10 and name HA
	 ) 3.8 0.8 0.8 volume=87523051.359 peak=2424 ppm1=0.747 ppm2=3.882

assign ( resid 59 and name HD2#
	 )
       ( resid 60 and name H
	 ) 3.9 0.8 0.8 volume=79855342.699 peak=2427 ppm1=0.934 ppm2=8.848

assign ( resid 59 and name HD2#
	 )
       ( resid 59 and name HB2
	 ) 2.8 0.6 0.6 volume=606127169.000 peak=2428 ppm1=0.936 ppm2=1.961

assign ( resid 59 and name HD2#
	 )
       ( resid 59 and name HB3
	 ) 2.4 0.5 0.5 volume=1371246244.000 peak=2429 ppm1=0.935 ppm2=1.663

assign ( resid 28 and name HD2#
	 )
       ( resid 29 and name HG1#
	 ) 2.7 0.5 0.5 volume=729540135.875 peak=2430 ppm1=0.802 ppm2=1.009

assign ( resid 90 and name HD1#
	 )
       ( resid 90 and name HA
	 ) 3.5 0.7 0.7 volume=154085198.000 peak=2431 ppm1=0.832 ppm2=3.992

assign ( resid 90 and name HD1#
	 )
       ( resid 90 and name H
	 ) 4.2 0.8 0.8 volume=51425611.625 peak=2432 ppm1=0.841 ppm2=8.763

assign ( resid 90 and name HD1#
	 )
       ( resid 92 and name H
	 ) 4.0 0.8 0.8 volume=69611456.062 peak=2433 ppm1=0.837 ppm2=7.842

assign ( resid 13 and name HG
	 )
       ( resid 9 and name HG
	 ) 3.7 0.7 0.7 volume=102396471.500 peak=2434 ppm1=1.964 ppm2=1.475

assign ( resid 13 and name HG
	 )
       ( resid 13 and name HB2
	 ) 3.6 0.7 0.7 volume=135661089.000 peak=2435 ppm1=1.963 ppm2=1.326

assign ( resid 13 and name HG
	 )
       ( resid 13 and name HD2#
	 ) 2.4 0.5 0.5 volume=1317180290.000 peak=2436 ppm1=1.963 ppm2=0.753

assign ( resid 13 and name HG
	 )
       ( resid 9 and name HD1#
	 ) 3.2 0.6 0.6 volume=259202388.000 peak=2437 ppm1=1.962 ppm2=0.834

assign ( resid 13 and name HG
	 )
       ( resid 13 and name HA
	 ) 3.6 0.7 0.7 volume=122361399.500 peak=2438 ppm1=1.964 ppm2=4.079

assign ( resid 13 and name HG
	 )
       ( resid 10 and name HA
	 ) 4.0 0.8 0.8 volume=66691394.000 peak=2439 ppm1=1.964 ppm2=3.884

assign ( resid 13 and name HG
	 )
       ( resid 14 and name H
	 ) 4.2 0.8 0.8 volume=52213216.375 peak=2440 ppm1=1.966 ppm2=7.530

assign ( resid 13 and name HG
	 )
       ( resid 13 and name H
	 ) 3.2 0.6 0.6 volume=258235839.000 peak=2441 ppm1=1.963 ppm2=8.131

assign ( resid 13 and name HG
	 )
       ( resid 25 and name H
	 ) 4.4 0.9 0.9 volume=36778324.062 peak=2442 ppm1=1.964 ppm2=7.923

assign ( resid 16 and name HB3
	 )
       ( resid 16 and name H
	 ) 3.5 0.7 0.7 volume=150205743.000 peak=2443 ppm1=1.605 ppm2=7.350

assign ( resid 25 and name HG
	 )
       ( resid 24 and name HG2#
	 ) 3.4 0.7 0.7 volume=187982336.000 peak=2446 ppm1=1.787 ppm2=1.018

assign ( resid 90 and name HG
	 )
       ( resid 90 and name H
	 ) 4.4 0.9 0.9 volume=39642959.000 peak=2447 ppm1=1.581 ppm2=8.756

assign ( resid 90 and name HD2#
	 )
       ( resid 81 and name HG12
	 ) 2.8 0.6 0.6 volume=607460734.000 peak=2448 ppm1=0.932 ppm2=1.043

assign ( resid 90 and name HD2#
	 )
       ( resid 93 and name HA
	 ) 4.8 1.0 1.0 volume=23565767.729 peak=2449 ppm1=0.936 ppm2=4.195

assign ( resid 61 and name HB#
	 )
       ( resid 81 and name H
	 ) 4.0 0.8 0.8 volume=65761516.500 peak=2452 ppm1=1.185 ppm2=8.074

assign ( resid 82 and name HE#
	 )
       ( resid 61 and name HB#
	 ) 3.6 0.7 0.7 volume=128356585.500 peak=2453 ppm1=7.227 ppm2=1.175

assign ( resid 32 and name HB#
	 )
       ( resid 28 and name H
	 ) 4.1 0.8 0.8 volume=53375173.062 peak=2454 ppm1=1.371 ppm2=7.480

assign ( resid 30 and name HB#
	 )
       ( resid 42 and name HB3
	 ) 3.0 0.6 0.6 volume=359473909.000 peak=2455 ppm1=1.590 ppm2=2.036

assign ( resid 81 and name HG2#
	 )
       ( resid 56 and name HG13
	 ) 3.6 0.7 0.7 volume=132580556.000 peak=2457 ppm1=0.236 ppm2=1.440

assign ( resid 81 and name HG2#
	 )
       ( resid 64 and name HD2#
	 ) 3.5 0.7 0.7 volume=150352681.250 peak=2458 ppm1=0.238 ppm2=0.730

assign ( resid 45 and name HG2#
	 )
       ( resid 34 and name HB#
	 ) 3.3 0.7 0.7 volume=208323338.000 peak=2459 ppm1=0.712 ppm2=1.303

assign ( resid 45 and name HD1#
	 )
       ( resid 54 and name HB3
	 ) 3.6 0.7 0.7 volume=119834066.000 peak=2460 ppm1=0.674 ppm2=2.033

assign ( resid 30 and name HB#
	 )
       ( resid 29 and name HB
	 ) 3.3 0.7 0.7 volume=226919804.125 peak=2461 ppm1=1.589 ppm2=2.175

assign ( resid 49 and name HG2#
	 )
       ( resid 50 and name HB#
	 ) 3.2 0.6 0.6 volume=260508670.000 peak=2462 ppm1=1.291 ppm2=1.488

assign ( resid 72 and name HG2#
	 )
       ( resid 25 and name HG
	 ) 4.3 0.9 0.9 volume=41402607.680 peak=2463 ppm1=1.126 ppm2=1.805

assign ( resid 36 and name HG1#
	 )
       ( resid 64 and name HB3
	 ) 3.5 0.7 0.7 volume=136890489.500 peak=2465 ppm1=0.909 ppm2=1.749

assign ( resid 55 and name HA2
	 )
       ( resid 56 and name HB
	 ) 4.4 0.9 0.9 volume=39962632.688 peak=2466 ppm1=3.678 ppm2=1.657

assign ( resid 47 and name HD2
	 )
       ( resid 48 and name HA
	 ) 4.0 0.8 0.8 volume=66641244.688 peak=2467 ppm1=3.754 ppm2=4.365

assign ( resid 47 and name HD3
	 )
       ( resid 47 and name HB3
	 ) 3.9 0.8 0.8 volume=78916111.875 peak=2468 ppm1=3.989 ppm2=2.357

assign ( resid 47 and name HD2
	 )
       ( resid 47 and name HB3
	 ) 3.7 0.7 0.7 volume=98040445.375 peak=2469 ppm1=3.757 ppm2=2.357

assign ( resid 47 and name HG2
	 )
       ( resid 47 and name HD2
	 ) 2.9 0.6 0.6 volume=466864358.000 peak=2471 ppm1=2.010 ppm2=3.759

assign ( resid 42 and name HD2
	 )
       ( resid 42 and name HG3
	 ) 2.7 0.5 0.5 volume=738834146.000 peak=2472 ppm1=3.865 ppm2=2.066

assign ( resid 91 and name HB
	 )
       ( resid 26 and name HB#
	 ) 4.3 0.9 0.9 volume=45353996.500 peak=2477 ppm1=4.327 ppm2=1.510

assign ( resid 91 and name HB
	 )
       ( resid 92 and name H
	 ) 3.3 0.7 0.7 volume=212968648.500 peak=2480 ppm1=4.336 ppm2=7.825

assign ( resid 91 and name HB
	 )
       ( resid 91 and name H
	 ) 3.2 0.6 0.6 volume=233550641.000 peak=2481 ppm1=4.332 ppm2=8.875

assign ( resid 46 and name HA
	 )
       ( resid 48 and name HB#
	 ) 4.2 0.8 0.8 volume=51744260.438 peak=2482 ppm1=4.798 ppm2=1.222

assign ( resid 39 and name HA
	 )
       ( resid 34 and name HB#
	 ) 4.5 0.9 0.9 volume=34156210.328 peak=2483 ppm1=4.696 ppm2=1.330

assign ( resid 17 and name HA
	 )
       ( resid 18 and name HG2
	 ) 4.0 0.8 0.8 volume=65559018.000 peak=2484 ppm1=4.666 ppm2=2.237

assign ( resid 17 and name HA
	 )
       ( resid 18 and name HG3
	 ) 3.8 0.8 0.8 volume=85983636.500 peak=2485 ppm1=4.669 ppm2=2.122

assign ( resid 76 and name HB2
	 )
       ( resid 76 and name H
	 ) 4.0 0.8 0.8 volume=69661175.375 peak=2486 ppm1=1.518 ppm2=7.858

assign ( resid 76 and name HB3
	 )
       ( resid 76 and name HB2
	 ) 3.2 0.6 0.6 volume=263343742.000 peak=2487 ppm1=1.350 ppm2=1.517

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   6.597  -4.038 -16.547
    2    H2   GLY   1           HT2      GLY   1   6.341  -4.919 -17.967
    3    H3   GLY   1           HT3      GLY   1   7.829  -4.165 -17.697
    4    HA2  GLY   1           HA1      GLY   1   6.711  -6.413 -16.125
    5    HA3  GLY   1           HA2      GLY   1   8.000  -6.532 -17.315
    6    H    ALA   2           HN       ALA   2   7.879  -7.076 -14.371
    7    HA   ALA   2           HA       ALA   2  10.423  -5.857 -13.742
    8    HB1  ALA   2           HB1      ALA   2   8.844  -4.170 -12.924
    9    HB2  ALA   2           HB2      ALA   2   9.712  -4.939 -11.596
   10    HB3  ALA   2           HB3      ALA   2   8.045  -5.397 -11.941
   11    H    ALA   3           HN       ALA   3  11.660  -7.286 -12.724
   12    HA   ALA   3           HA       ALA   3  10.470  -9.774 -11.785
   13    HB1  ALA   3           HB1      ALA   3  12.764 -10.589 -11.658
   14    HB2  ALA   3           HB2      ALA   3  13.369  -8.975 -12.029
   15    HB3  ALA   3           HB3      ALA   3  12.444  -9.869 -13.235
   16    H    SER   4           HN       SER   4  10.939  -6.856 -10.527
   17    HA   SER   4           HA       SER   4  10.501  -7.512  -7.882
   18    HB2  SER   4           HB2      SER   4  12.886  -8.338  -7.996
   19    HB3  SER   4           HB1      SER   4  13.374  -6.671  -8.296
   20    HG   SER   4           HG       SER   4  12.392  -7.858  -5.972
   21    H    ALA   5           HN       ALA   5   9.058  -5.815  -8.024
   22    HA   ALA   5           HA       ALA   5  10.060  -3.153  -8.617
   23    HB1  ALA   5           HB1      ALA   5   7.786  -3.762  -9.286
   24    HB2  ALA   5           HB2      ALA   5   7.774  -2.418  -8.142
   25    HB3  ALA   5           HB3      ALA   5   7.358  -4.042  -7.598
   26    H    ALA   6           HN       ALA   6  10.434  -5.149  -6.092
   27    HA   ALA   6           HA       ALA   6  10.012  -3.320  -3.906
   28    HB1  ALA   6           HB1      ALA   6   9.903  -5.692  -3.483
   29    HB2  ALA   6           HB2      ALA   6  11.281  -5.020  -2.610
   30    HB3  ALA   6           HB3      ALA   6  11.538  -5.919  -4.109
   31    H    THR   7           HN       THR   7  12.384  -3.962  -6.247
   32    HA   THR   7           HA       THR   7  14.412  -2.467  -4.773
   33    HB   THR   7           HB       THR   7  15.182  -4.545  -5.788
   34    HG1  THR   7           HG1      THR   7  16.916  -3.544  -7.102
   35   HG21  THR   7          HG21      THR   7  15.352  -4.776  -8.227
   36   HG22  THR   7          HG22      THR   7  14.457  -3.270  -8.423
   37   HG23  THR   7          HG23      THR   7  13.672  -4.673  -7.695
   38    H    ASP   8           HN       ASP   8  11.837  -1.921  -6.762
   39    HA   ASP   8           HA       ASP   8  12.995   0.458  -7.994
   40    HB2  ASP   8           HB2      ASP   8  10.829  -1.324  -8.672
   41    HB3  ASP   8           HB1      ASP   8  10.252   0.329  -8.493
   42    H    LEU   9           HN       LEU   9  10.762  -0.773  -5.675
   43    HA   LEU   9           HA       LEU   9   9.473   1.669  -5.055
   44    HB2  LEU   9           HB2      LEU   9   8.390  -0.351  -4.453
   45    HB3  LEU   9           HB1      LEU   9   9.785  -0.926  -3.569
   46    HG   LEU   9           HG       LEU   9   9.493   1.034  -2.019
   47   HD11  LEU   9          HD11      LEU   9   8.102   2.389  -3.500
   48   HD12  LEU   9          HD12      LEU   9   7.318   2.102  -1.937
   49   HD13  LEU   9          HD13      LEU   9   6.798   1.193  -3.358
   50   HD21  LEU   9          HD21      LEU   9   8.864  -1.310  -1.546
   51   HD22  LEU   9          HD22      LEU   9   7.224  -0.929  -2.063
   52   HD23  LEU   9          HD23      LEU   9   7.919  -0.116  -0.664
   53    H    ALA  10           HN       ALA  10  11.777  -0.326  -3.340
   54    HA   ALA  10           HA       ALA  10  12.611   1.579  -1.432
   55    HB1  ALA  10           HB1      ALA  10  14.575   0.145  -1.120
   56    HB2  ALA  10           HB2      ALA  10  14.193  -0.714  -2.613
   57    HB3  ALA  10           HB3      ALA  10  13.099  -0.815  -1.233
   58    H    ALA  11           HN       ALA  11  12.909   1.742  -4.717
   59    HA   ALA  11           HA       ALA  11  15.425   3.153  -4.799
   60    HB1  ALA  11           HB1      ALA  11  14.893   1.819  -6.700
   61    HB2  ALA  11           HB2      ALA  11  14.813   3.514  -7.180
   62    HB3  ALA  11           HB3      ALA  11  13.323   2.609  -6.874
   63    H    ARG  12           HN       ARG  12  11.900   3.888  -5.029
   64    HA   ARG  12           HA       ARG  12  12.140   6.679  -5.182
   65    HB2  ARG  12           HB2      ARG  12  10.113   4.777  -4.091
   66    HB3  ARG  12           HB1      ARG  12   9.911   6.489  -3.800
   67    HG2  ARG  12           HG2      ARG  12   8.615   6.168  -5.631
   68    HG3  ARG  12           HG1      ARG  12  10.141   6.627  -6.386
   69    HD2  ARG  12           HD2      ARG  12  10.472   4.574  -7.252
   70    HD3  ARG  12           HD1      ARG  12   9.773   3.770  -5.848
   71    HE   ARG  12           HE       ARG  12   7.760   5.115  -7.302
   72   HH11  ARG  12          HH11      ARG  12   9.854   2.330  -7.510
   73   HH12  ARG  12          HH12      ARG  12   8.703   1.372  -8.394
   74   HH21  ARG  12          HH21      ARG  12   6.243   3.855  -8.478
   75   HH22  ARG  12          HH22      ARG  12   6.661   2.236  -8.937
   76    H    LEU  13           HN       LEU  13  12.391   4.384  -2.617
   77    HA   LEU  13           HA       LEU  13  12.115   6.300  -0.484
   78    HB2  LEU  13           HB2      LEU  13  12.581   3.356  -0.667
   79    HB3  LEU  13           HB1      LEU  13  12.778   4.178   0.864
   80    HG   LEU  13           HG       LEU  13  10.467   4.723   0.974
   81   HD11  LEU  13          HD11      LEU  13  10.361   3.963  -1.895
   82   HD12  LEU  13          HD12      LEU  13   9.892   5.485  -1.121
   83   HD13  LEU  13          HD13      LEU  13   8.915   4.035  -0.881
   84   HD21  LEU  13          HD21      LEU  13   9.367   2.581   0.876
   85   HD22  LEU  13          HD22      LEU  13  10.995   2.413   1.534
   86   HD23  LEU  13          HD23      LEU  13  10.664   1.948  -0.135
   87    H    ASN  14           HN       ASN  14  14.594   4.375  -1.974
   88    HA   ASN  14           HA       ASN  14  16.837   4.847  -0.562
   89    HB2  ASN  14           HB2      ASN  14  16.151   4.006  -3.112
   90    HB3  ASN  14           HB1      ASN  14  17.286   5.323  -3.388
   91   HD21  ASN  14          HD21      ASN  14  17.311   2.288  -3.589
   92   HD22  ASN  14          HD22      ASN  14  18.797   1.844  -2.823
   93    H    GLY  15           HN       GLY  15  17.812   6.576   0.192
   94    HA2  GLY  15           HA2      GLY  15  18.929   8.635  -0.027
   95    HA3  GLY  15           HA1      GLY  15  17.951   8.996  -1.440
   96    H    LEU  16           HN       LEU  16  15.750   7.901   0.627
   97    HA   LEU  16           HA       LEU  16  15.175  10.621   1.565
   98    HB2  LEU  16           HB2      LEU  16  13.454   8.385   0.622
   99    HB3  LEU  16           HB1      LEU  16  12.792   9.514   1.776
  100    HG   LEU  16           HG       LEU  16  12.119  10.221  -0.389
  101   HD11  LEU  16          HD11      LEU  16  12.947  12.443  -0.430
  102   HD12  LEU  16          HD12      LEU  16  14.435  11.963   0.385
  103   HD13  LEU  16          HD13      LEU  16  12.900  11.919   1.258
  104   HD21  LEU  16          HD21      LEU  16  13.783   9.022  -1.713
  105   HD22  LEU  16          HD22      LEU  16  15.031  10.148  -1.177
  106   HD23  LEU  16          HD23      LEU  16  13.700  10.719  -2.183
  107    H    SER  17           HN       SER  17  13.885  10.786   3.513
  108    HA   SER  17           HA       SER  17  14.941   9.122   5.646
  109    HB2  SER  17           HB2      SER  17  13.215  11.606   5.655
  110    HB3  SER  17           HB1      SER  17  13.880  10.838   7.088
  111    HG   SER  17           HG       SER  17  15.313  12.415   6.566
  112    HA   PRO  18           HA       PRO  18  11.729   6.360   6.474
  113    HB2  PRO  18           HB2      PRO  18  11.145   7.833   9.016
  114    HB3  PRO  18           HB1      PRO  18  11.361   6.097   8.747
  115    HG2  PRO  18           HG2      PRO  18  13.354   7.472   9.769
  116    HG3  PRO  18           HG1      PRO  18  13.687   6.312   8.467
  117    HD2  PRO  18           HD2      PRO  18  13.506   9.288   8.338
  118    HD3  PRO  18           HD1      PRO  18  14.641   8.189   7.528
  119    H    GLN  19           HN       GLN  19  10.592   9.575   7.554
  120    HA   GLN  19           HA       GLN  19   7.837   9.023   7.008
  121    HB2  GLN  19           HB2      GLN  19   8.628  10.756   8.606
  122    HB3  GLN  19           HB1      GLN  19   9.206  11.701   7.242
  123    HG2  GLN  19           HG2      GLN  19   7.139  12.631   7.772
  124    HG3  GLN  19           HG1      GLN  19   6.852  11.610   6.363
  125   HE21  GLN  19          HE21      GLN  19   7.287  10.310   9.570
  126   HE22  GLN  19          HE22      GLN  19   5.659   9.768   9.770
  127    H    GLN  20           HN       GLN  20  10.469  10.343   5.089
  128    HA   GLN  20           HA       GLN  20   8.829  11.339   2.952
  129    HB2  GLN  20           HB2      GLN  20  11.743  10.509   3.086
  130    HB3  GLN  20           HB1      GLN  20  11.002  11.213   1.657
  131    HG2  GLN  20           HG2      GLN  20  11.241  12.565   4.324
  132    HG3  GLN  20           HG1      GLN  20  12.348  12.792   2.982
  133   HE21  GLN  20          HE21      GLN  20   9.392  13.703   4.394
  134   HE22  GLN  20          HE22      GLN  20   8.888  14.813   3.167
  135    H    GLN  21           HN       GLN  21  10.809   8.466   3.489
  136    HA   GLN  21           HA       GLN  21  10.168   6.957   1.222
  137    HB2  GLN  21           HB2      GLN  21  10.858   6.134   4.055
  138    HB3  GLN  21           HB1      GLN  21  10.798   5.009   2.709
  139    HG2  GLN  21           HG2      GLN  21  12.569   6.234   1.590
  140    HG3  GLN  21           HG1      GLN  21  12.618   7.403   2.908
  141   HE21  GLN  21          HE21      GLN  21  12.209   5.267   4.915
  142   HE22  GLN  21          HE22      GLN  21  13.723   4.458   5.048
  143    H    GLN  22           HN       GLN  22   8.490   7.480   4.212
  144    HA   GLN  22           HA       GLN  22   6.539   5.473   4.013
  145    HB2  GLN  22           HB2      GLN  22   7.258   7.290   5.857
  146    HB3  GLN  22           HB1      GLN  22   5.869   8.068   5.178
  147    HG2  GLN  22           HG2      GLN  22   4.506   6.252   5.685
  148    HG3  GLN  22           HG1      GLN  22   5.850   5.311   6.298
  149   HE21  GLN  22          HE21      GLN  22   6.769   5.918   8.286
  150   HE22  GLN  22          HE22      GLN  22   5.912   6.911   9.412
  151    H    GLN  23           HN       GLN  23   6.454   8.898   3.362
  152    HA   GLN  23           HA       GLN  23   4.071   9.379   2.240
  153    HB2  GLN  23           HB2      GLN  23   6.734  10.335   1.370
  154    HB3  GLN  23           HB1      GLN  23   5.230  11.037   0.790
  155    HG2  GLN  23           HG2      GLN  23   4.616  11.700   2.983
  156    HG3  GLN  23           HG1      GLN  23   5.943  10.815   3.690
  157   HE21  GLN  23          HE21      GLN  23   6.543  12.737   4.742
  158   HE22  GLN  23          HE22      GLN  23   7.392  13.987   3.903
  159    H    THR  24           HN       THR  24   6.792   7.989   0.423
  160    HA   THR  24           HA       THR  24   5.598   7.983  -2.105
  161    HB   THR  24           HB       THR  24   7.684   6.298  -0.777
  162    HG1  THR  24           HG1      THR  24   7.577   8.560  -2.330
  163   HG21  THR  24          HG21      THR  24   8.164   5.193  -2.873
  164   HG22  THR  24          HG22      THR  24   6.867   6.077  -3.678
  165   HG23  THR  24          HG23      THR  24   6.480   4.883  -2.438
  166    H    LEU  25           HN       LEU  25   5.537   5.476   0.433
  167    HA   LEU  25           HA       LEU  25   3.741   3.769  -1.064
  168    HB2  LEU  25           HB2      LEU  25   4.288   3.880   1.888
  169    HB3  LEU  25           HB1      LEU  25   3.505   2.568   1.039
  170    HG   LEU  25           HG       LEU  25   6.286   3.319   0.278
  171   HD11  LEU  25          HD11      LEU  25   5.567   1.590   2.641
  172   HD12  LEU  25          HD12      LEU  25   6.206   3.231   2.747
  173   HD13  LEU  25          HD13      LEU  25   7.188   1.945   2.038
  174   HD21  LEU  25          HD21      LEU  25   6.403   0.901  -0.134
  175   HD22  LEU  25          HD22      LEU  25   5.085   1.656  -1.027
  176   HD23  LEU  25          HD23      LEU  25   4.745   0.730   0.435
  177    H    ALA  26           HN       ALA  26   3.574   6.187   1.447
  178    HA   ALA  26           HA       ALA  26   0.782   6.003   1.925
  179    HB1  ALA  26           HB1      ALA  26   1.132   8.027   3.246
  180    HB2  ALA  26           HB2      ALA  26   2.705   8.270   2.477
  181    HB3  ALA  26           HB3      ALA  26   2.448   6.881   3.530
  182    H    THR  27           HN       THR  27   2.144   6.690  -0.786
  183    HA   THR  27           HA       THR  27   0.096   8.590  -1.642
  184    HB   THR  27           HB       THR  27   2.991   8.326  -2.414
  185    HG1  THR  27           HG1      THR  27   2.506   9.846  -0.833
  186   HG21  THR  27          HG21      THR  27   2.619   9.769  -4.337
  187   HG22  THR  27          HG22      THR  27   0.878   9.721  -4.049
  188   HG23  THR  27          HG23      THR  27   1.742   8.243  -4.497
  189    H    LEU  28           HN       LEU  28   2.281   6.001  -2.579
  190    HA   LEU  28           HA       LEU  28   0.984   5.236  -4.926
  191    HB2  LEU  28           HB2      LEU  28   3.171   4.575  -4.854
  192    HB3  LEU  28           HB1      LEU  28   3.071   4.124  -3.169
  193    HG   LEU  28           HG       LEU  28   1.387   2.335  -4.165
  194   HD11  LEU  28          HD11      LEU  28   1.721   3.081  -6.466
  195   HD12  LEU  28          HD12      LEU  28   2.194   1.395  -6.228
  196   HD13  LEU  28          HD13      LEU  28   3.429   2.656  -6.340
  197   HD21  LEU  28          HD21      LEU  28   3.376   0.762  -4.211
  198   HD22  LEU  28          HD22      LEU  28   3.041   1.656  -2.718
  199   HD23  LEU  28          HD23      LEU  28   4.341   2.187  -3.797
  200    H    VAL  29           HN       VAL  29   0.927   4.015  -1.662
  201    HA   VAL  29           HA       VAL  29  -0.704   1.769  -2.161
  202    HB   VAL  29           HB       VAL  29  -0.120   3.345   0.339
  203   HG11  VAL  29          HG11      VAL  29  -1.594   0.715   0.219
  204   HG12  VAL  29          HG12      VAL  29  -2.387   2.276   0.423
  205   HG13  VAL  29          HG13      VAL  29  -1.255   1.695   1.647
  206   HG21  VAL  29          HG21      VAL  29   1.279   1.476   0.903
  207   HG22  VAL  29          HG22      VAL  29   1.687   2.020  -0.728
  208   HG23  VAL  29          HG23      VAL  29   0.707   0.571  -0.496
  209    H    ALA  30           HN       ALA  30  -1.296   5.086  -1.388
  210    HA   ALA  30           HA       ALA  30  -4.128   4.803  -1.141
  211    HB1  ALA  30           HB1      ALA  30  -4.063   7.277  -1.195
  212    HB2  ALA  30           HB2      ALA  30  -2.321   7.169  -1.439
  213    HB3  ALA  30           HB3      ALA  30  -3.044   6.554   0.046
  214    H    ALA  31           HN       ALA  31  -1.828   5.633  -3.598
  215    HA   ALA  31           HA       ALA  31  -3.587   6.419  -5.639
  216    HB1  ALA  31           HB1      ALA  31  -1.066   4.878  -6.161
  217    HB2  ALA  31           HB2      ALA  31  -0.986   6.503  -5.483
  218    HB3  ALA  31           HB3      ALA  31  -1.746   6.237  -7.065
  219    H    ALA  32           HN       ALA  32  -2.253   3.364  -4.647
  220    HA   ALA  32           HA       ALA  32  -3.511   1.589  -6.338
  221    HB1  ALA  32           HB1      ALA  32  -2.691   1.440  -3.453
  222    HB2  ALA  32           HB2      ALA  32  -1.830   0.829  -4.868
  223    HB3  ALA  32           HB3      ALA  32  -3.318   0.041  -4.334
  224    H    THR  33           HN       THR  33  -4.695   2.893  -3.205
  225    HA   THR  33           HA       THR  33  -7.215   1.518  -3.510
  226    HB   THR  33           HB       THR  33  -6.684   3.812  -1.618
  227    HG1  THR  33           HG1      THR  33  -5.031   2.116  -1.482
  228   HG21  THR  33          HG21      THR  33  -8.265   2.438  -0.203
  229   HG22  THR  33          HG22      THR  33  -8.557   1.448  -1.638
  230   HG23  THR  33          HG23      THR  33  -8.970   3.162  -1.647
  231    H    ALA  34           HN       ALA  34  -5.910   4.560  -4.484
  232    HA   ALA  34           HA       ALA  34  -8.357   5.871  -5.006
  233    HB1  ALA  34           HB1      ALA  34  -5.678   6.241  -6.347
  234    HB2  ALA  34           HB2      ALA  34  -6.216   7.052  -4.876
  235    HB3  ALA  34           HB3      ALA  34  -7.042   7.362  -6.406
  236    H    THR  35           HN       THR  35  -6.433   3.514  -6.658
  237    HA   THR  35           HA       THR  35  -7.817   3.569  -9.127
  238    HB   THR  35           HB       THR  35  -5.813   1.858  -7.771
  239    HG1  THR  35           HG1      THR  35  -5.586   3.653  -9.466
  240   HG21  THR  35          HG21      THR  35  -6.020   0.040  -9.316
  241   HG22  THR  35          HG22      THR  35  -7.355   0.843 -10.145
  242   HG23  THR  35          HG23      THR  35  -7.562   0.279  -8.481
  243    H    VAL  36           HN       VAL  36  -7.971   1.489  -6.234
  244    HA   VAL  36           HA       VAL  36  -9.762  -0.385  -7.239
  245    HB   VAL  36           HB       VAL  36 -10.251  -0.957  -4.892
  246   HG11  VAL  36          HG11      VAL  36  -7.774  -1.283  -4.215
  247   HG12  VAL  36          HG12      VAL  36  -7.472  -0.716  -5.861
  248   HG13  VAL  36          HG13      VAL  36  -8.463  -2.154  -5.581
  249   HG21  VAL  36          HG21      VAL  36 -10.308   0.880  -3.610
  250   HG22  VAL  36          HG22      VAL  36  -8.889   1.586  -4.377
  251   HG23  VAL  36          HG23      VAL  36  -8.703   0.263  -3.226
  252    H    LEU  37           HN       LEU  37 -10.397   2.768  -5.850
  253    HA   LEU  37           HA       LEU  37 -13.267   2.170  -5.764
  254    HB2  LEU  37           HB2      LEU  37 -11.941   4.672  -4.790
  255    HB3  LEU  37           HB1      LEU  37 -13.488   4.004  -4.312
  256    HG   LEU  37           HG       LEU  37 -10.864   2.668  -3.718
  257   HD11  LEU  37          HD11      LEU  37 -10.915   4.860  -2.690
  258   HD12  LEU  37          HD12      LEU  37 -11.049   3.582  -1.485
  259   HD13  LEU  37          HD13      LEU  37 -12.479   4.495  -1.964
  260   HD21  LEU  37          HD21      LEU  37 -13.640   2.313  -2.612
  261   HD22  LEU  37          HD22      LEU  37 -12.200   1.454  -2.066
  262   HD23  LEU  37          HD23      LEU  37 -12.804   1.212  -3.705
  263    H    GLY  38           HN       GLY  38 -11.248   3.228  -8.057
  264    HA2  GLY  38           HA2      GLY  38 -11.499   4.493  -9.957
  265    HA3  GLY  38           HA1      GLY  38 -13.216   4.534  -9.595
  266    H    HIS  39           HN       HIS  39 -10.493   5.843  -7.737
  267    HA   HIS  39           HA       HIS  39 -11.758   8.502  -7.924
  268    HB2  HIS  39           HB2      HIS  39 -10.112   7.196  -5.770
  269    HB3  HIS  39           HB1      HIS  39 -10.238   8.948  -5.861
  270    HD1  HIS  39           HD1      HIS  39 -11.806   9.612  -4.044
  271    HD2  HIS  39           HD2      HIS  39 -13.150   6.263  -6.118
  272    HE1  HIS  39           HE1      HIS  39 -14.051   9.060  -3.064
  273    HE2  HIS  39           HE2      HIS  39 -14.743   6.914  -4.187
  274    H    HIS  40           HN       HIS  40  -9.067   6.655  -8.790
  275    HA   HIS  40           HA       HIS  40  -7.247   7.052 -10.056
  276    HB2  HIS  40           HB2      HIS  40  -8.785   8.596 -11.309
  277    HB3  HIS  40           HB1      HIS  40  -8.156   9.918 -10.332
  278    HD1  HIS  40           HD1      HIS  40  -7.741  10.253 -13.235
  279    HD2  HIS  40           HD2      HIS  40  -5.040   8.125 -10.893
  280    HE1  HIS  40           HE1      HIS  40  -5.583  10.257 -14.518
  281    HE2  HIS  40           HE2      HIS  40  -4.029   8.807 -13.173
  282    H    THR  41           HN       THR  41  -7.692  10.067  -8.137
  283    HA   THR  41           HA       THR  41  -4.817  10.007  -7.698
  284    HB   THR  41           HB       THR  41  -5.776  12.130  -8.452
  285    HG1  THR  41           HG1      THR  41  -4.772  13.430  -6.781
  286   HG21  THR  41          HG21      THR  41  -7.114  13.491  -6.927
  287   HG22  THR  41          HG22      THR  41  -7.128  12.164  -5.765
  288   HG23  THR  41          HG23      THR  41  -7.948  11.986  -7.317
  289    HA   PRO  42           HA       PRO  42  -5.004   8.554  -3.532
  290    HB2  PRO  42           HB2      PRO  42  -2.539  10.025  -3.051
  291    HB3  PRO  42           HB1      PRO  42  -2.791   8.283  -3.143
  292    HG2  PRO  42           HG2      PRO  42  -1.431   9.698  -5.029
  293    HG3  PRO  42           HG1      PRO  42  -2.311   8.195  -5.357
  294    HD2  PRO  42           HD2      PRO  42  -3.115  11.011  -5.971
  295    HD3  PRO  42           HD1      PRO  42  -3.378   9.508  -6.876
  296    H    GLU  43           HN       GLU  43  -4.930  11.805  -4.481
  297    HA   GLU  43           HA       GLU  43  -4.773  13.131  -2.010
  298    HB2  GLU  43           HB2      GLU  43  -6.080  13.909  -4.605
  299    HB3  GLU  43           HB1      GLU  43  -5.883  15.009  -3.245
  300    HG2  GLU  43           HG2      GLU  43  -3.511  14.878  -3.418
  301    HG3  GLU  43           HG1      GLU  43  -3.635  13.571  -4.591
  302    H    SER  44           HN       SER  44  -7.389  11.501  -3.616
  303    HA   SER  44           HA       SER  44  -9.390  12.506  -1.798
  304    HB2  SER  44           HB2      SER  44  -9.969  12.026  -4.131
  305    HB3  SER  44           HB1      SER  44  -9.511  10.349  -3.895
  306    HG   SER  44           HG       SER  44 -11.472  11.530  -2.261
  307    H    ILE  45           HN       ILE  45  -7.152   9.965  -1.961
  308    HA   ILE  45           HA       ILE  45  -8.605   8.149  -0.225
  309    HB   ILE  45           HB       ILE  45  -5.807   7.919  -1.313
  310   HG12  ILE  45          HG12      ILE  45  -7.371   8.092  -3.143
  311   HG13  ILE  45          HG11      ILE  45  -6.820   6.428  -3.003
  312   HG21  ILE  45          HG21      ILE  45  -6.302   6.488   0.654
  313   HG22  ILE  45          HG22      ILE  45  -5.957   5.574  -0.814
  314   HG23  ILE  45          HG23      ILE  45  -7.624   5.754  -0.261
  315   HD11  ILE  45          HD11      ILE  45  -9.447   7.476  -1.993
  316   HD12  ILE  45          HD12      ILE  45  -8.896   5.800  -1.938
  317   HD13  ILE  45          HD13      ILE  45  -9.198   6.581  -3.490
  318    H    SER  46           HN       SER  46  -8.711   9.129   1.771
  319    HA   SER  46           HA       SER  46  -6.415  10.251   3.055
  320    HB2  SER  46           HB2      SER  46  -8.932   9.371   4.428
  321    HB3  SER  46           HB1      SER  46  -7.853  10.692   4.864
  322    HG   SER  46           HG       SER  46  -8.524  11.443   2.582
  323    HA   PRO  47           HA       PRO  47  -4.712   6.519   4.463
  324    HB2  PRO  47           HB2      PRO  47  -2.884   7.428   6.133
  325    HB3  PRO  47           HB1      PRO  47  -2.913   8.031   4.476
  326    HG2  PRO  47           HG2      PRO  47  -3.852   9.338   6.981
  327    HG3  PRO  47           HG1      PRO  47  -3.068  10.057   5.570
  328    HD2  PRO  47           HD2      PRO  47  -5.847   9.953   6.118
  329    HD3  PRO  47           HD1      PRO  47  -5.084  10.478   4.596
  330    H    ALA  48           HN       ALA  48  -6.675   8.228   6.561
  331    HA   ALA  48           HA       ALA  48  -6.291   6.245   8.662
  332    HB1  ALA  48           HB1      ALA  48  -5.308   8.497   9.091
  333    HB2  ALA  48           HB2      ALA  48  -6.437   7.912  10.320
  334    HB3  ALA  48           HB3      ALA  48  -6.958   9.120   9.145
  335    H    THR  49           HN       THR  49  -8.298   7.192   6.373
  336    HA   THR  49           HA       THR  49 -10.833   7.327   7.580
  337    HB   THR  49           HB       THR  49  -9.829   6.616   4.838
  338    HG1  THR  49           HG1      THR  49 -10.997   8.874   6.057
  339   HG21  THR  49          HG21      THR  49 -12.697   6.745   5.731
  340   HG22  THR  49          HG22      THR  49 -11.825   5.334   5.125
  341   HG23  THR  49          HG23      THR  49 -12.156   6.695   4.050
  342    H    ALA  50           HN       ALA  50  -8.988   4.738   6.143
  343    HA   ALA  50           HA       ALA  50  -8.830   2.505   6.790
  344    HB1  ALA  50           HB1      ALA  50 -10.255   2.686   8.757
  345    HB2  ALA  50           HB2      ALA  50 -10.691   1.281   7.780
  346    HB3  ALA  50           HB3      ALA  50 -11.686   2.740   7.722
  347    H    PHE  51           HN       PHE  51  -8.934   0.999   5.376
  348    HA   PHE  51           HA       PHE  51  -9.934   1.349   2.829
  349    HB2  PHE  51           HB2      PHE  51  -9.258  -1.150   4.353
  350    HB3  PHE  51           HB1      PHE  51  -9.629  -1.151   2.627
  351    HD1  PHE  51           HD1      PHE  51  -8.373   1.111   1.559
  352    HD2  PHE  51           HD2      PHE  51  -7.037  -1.414   4.688
  353    HE1  PHE  51           HE1      PHE  51  -6.059   1.772   1.078
  354    HE2  PHE  51           HE2      PHE  51  -4.718  -0.769   4.225
  355    HZ   PHE  51           HZ       PHE  51  -4.222   0.828   2.412
  356    H    LYS  52           HN       LYS  52 -11.360  -0.471   5.492
  357    HA   LYS  52           HA       LYS  52 -13.650  -1.396   4.301
  358    HB2  LYS  52           HB2      LYS  52 -13.304  -0.212   7.062
  359    HB3  LYS  52           HB1      LYS  52 -14.684  -1.178   6.557
  360    HG2  LYS  52           HG2      LYS  52 -13.047  -3.027   6.065
  361    HG3  LYS  52           HG1      LYS  52 -11.821  -2.033   6.850
  362    HD2  LYS  52           HD2      LYS  52 -14.373  -3.006   8.106
  363    HD3  LYS  52           HD1      LYS  52 -12.775  -3.691   8.388
  364    HE2  LYS  52           HE2      LYS  52 -12.046  -1.530   9.302
  365    HE3  LYS  52           HE1      LYS  52 -13.666  -0.894   9.027
  366    HZ1  LYS  52           HZ1      LYS  52 -14.561  -2.422  10.600
  367    HZ2  LYS  52           HZ2      LYS  52 -13.264  -1.622  11.336
  368    HZ3  LYS  52           HZ3      LYS  52 -13.076  -3.208  10.779
  369    H    ASP  53           HN       ASP  53 -12.942   1.747   5.673
  370    HA   ASP  53           HA       ASP  53 -15.600   2.752   5.303
  371    HB2  ASP  53           HB2      ASP  53 -13.997   3.392   7.167
  372    HB3  ASP  53           HB1      ASP  53 -13.111   4.341   5.976
  373    H    LEU  54           HN       LEU  54 -12.823   2.448   3.438
  374    HA   LEU  54           HA       LEU  54 -13.220   4.741   1.731
  375    HB2  LEU  54           HB2      LEU  54 -11.250   2.510   1.911
  376    HB3  LEU  54           HB1      LEU  54 -11.347   3.422   0.424
  377    HG   LEU  54           HG       LEU  54 -10.925   4.743   3.100
  378   HD11  LEU  54          HD11      LEU  54  -8.840   3.742   1.176
  379   HD12  LEU  54          HD12      LEU  54  -9.129   3.152   2.815
  380   HD13  LEU  54          HD13      LEU  54  -8.538   4.794   2.557
  381   HD21  LEU  54          HD21      LEU  54  -9.979   6.516   1.697
  382   HD22  LEU  54          HD22      LEU  54 -11.666   6.183   1.305
  383   HD23  LEU  54          HD23      LEU  54 -10.382   5.574   0.263
  384    H    GLY  55           HN       GLY  55 -14.042   1.374   1.812
  385    HA2  GLY  55           HA2      GLY  55 -15.981   0.873   0.338
  386    HA3  GLY  55           HA1      GLY  55 -15.048   1.606  -0.959
  387    H    ILE  56           HN       ILE  56 -12.855   0.087   0.884
  388    HA   ILE  56           HA       ILE  56 -12.301  -2.001  -0.895
  389    HB   ILE  56           HB       ILE  56 -11.486  -1.495   1.946
  390   HG12  ILE  56          HG12      ILE  56 -10.136  -0.131   0.768
  391   HG13  ILE  56          HG11      ILE  56  -9.202  -1.600   0.586
  392   HG21  ILE  56          HG21      ILE  56 -11.150  -3.951   0.389
  393   HG22  ILE  56          HG22      ILE  56 -11.301  -3.706   2.133
  394   HG23  ILE  56          HG23      ILE  56  -9.768  -3.375   1.317
  395   HD11  ILE  56          HD11      ILE  56 -11.048  -0.347  -1.413
  396   HD12  ILE  56          HD12      ILE  56 -10.362  -1.968  -1.594
  397   HD13  ILE  56          HD13      ILE  56  -9.301  -0.562  -1.524
  398    H    ASP  57           HN       ASP  57 -13.325  -3.831  -1.267
  399    HA   ASP  57           HA       ASP  57 -15.291  -4.766   0.728
  400    HB2  ASP  57           HB2      ASP  57 -16.840  -5.240  -1.079
  401    HB3  ASP  57           HB1      ASP  57 -16.343  -3.556  -1.165
  402    H    SER  58           HN       SER  58 -12.692  -5.839   0.518
  403    HA   SER  58           HA       SER  58 -11.631  -7.847   0.474
  404    HB2  SER  58           HB2      SER  58 -14.144  -9.081  -0.558
  405    HB3  SER  58           HB1      SER  58 -12.795  -9.910   0.201
  406    HG   SER  58           HG       SER  58 -13.842  -7.893   1.735
  407    H    LEU  59           HN       LEU  59 -13.736  -7.402  -2.342
  408    HA   LEU  59           HA       LEU  59 -12.010  -8.705  -4.192
  409    HB2  LEU  59           HB2      LEU  59 -14.131  -6.602  -4.602
  410    HB3  LEU  59           HB1      LEU  59 -13.294  -7.409  -5.902
  411    HG   LEU  59           HG       LEU  59 -14.270  -9.555  -5.248
  412   HD11  LEU  59          HD11      LEU  59 -14.491  -9.160  -2.854
  413   HD12  LEU  59          HD12      LEU  59 -16.008  -9.704  -3.576
  414   HD13  LEU  59          HD13      LEU  59 -15.785  -8.001  -3.168
  415   HD21  LEU  59          HD21      LEU  59 -15.422  -8.211  -6.874
  416   HD22  LEU  59          HD22      LEU  59 -16.222  -7.299  -5.597
  417   HD23  LEU  59          HD23      LEU  59 -16.608  -9.005  -5.836
  418    H    THR  60           HN       THR  60 -12.643  -5.339  -3.366
  419    HA   THR  60           HA       THR  60 -10.482  -4.406  -5.034
  420    HB   THR  60           HB       THR  60 -10.950  -2.210  -3.729
  421    HG1  THR  60           HG1      THR  60 -13.414  -3.579  -3.277
  422   HG21  THR  60          HG21      THR  60 -11.473  -2.596  -6.075
  423   HG22  THR  60          HG22      THR  60 -12.776  -1.701  -5.282
  424   HG23  THR  60          HG23      THR  60 -12.965  -3.425  -5.615
  425    H    ALA  61           HN       ALA  61 -10.814  -5.709  -1.969
  426    HA   ALA  61           HA       ALA  61  -8.453  -4.536  -0.832
  427    HB1  ALA  61           HB1      ALA  61  -9.748  -7.145  -0.065
  428    HB2  ALA  61           HB2      ALA  61 -10.275  -5.568   0.526
  429    HB3  ALA  61           HB3      ALA  61  -8.654  -6.156   0.907
  430    H    LEU  62           HN       LEU  62  -9.284  -7.443  -2.662
  431    HA   LEU  62           HA       LEU  62  -6.648  -8.487  -2.708
  432    HB2  LEU  62           HB2      LEU  62  -9.008  -9.546  -3.296
  433    HB3  LEU  62           HB1      LEU  62  -8.580  -8.976  -4.886
  434    HG   LEU  62           HG       LEU  62  -7.623 -10.961  -5.185
  435   HD11  LEU  62          HD11      LEU  62  -5.572 -10.037  -3.179
  436   HD12  LEU  62          HD12      LEU  62  -5.655  -9.498  -4.855
  437   HD13  LEU  62          HD13      LEU  62  -5.343 -11.197  -4.491
  438   HD21  LEU  62          HD21      LEU  62  -7.689 -11.225  -2.198
  439   HD22  LEU  62          HD22      LEU  62  -7.083 -12.483  -3.275
  440   HD23  LEU  62          HD23      LEU  62  -8.770 -11.970  -3.373
  441    H    GLU  63           HN       GLU  63  -8.595  -6.480  -4.976
  442    HA   GLU  63           HA       GLU  63  -6.604  -6.256  -6.931
  443    HB2  GLU  63           HB2      GLU  63  -8.720  -5.683  -7.653
  444    HB3  GLU  63           HB1      GLU  63  -9.136  -4.908  -6.134
  445    HG2  GLU  63           HG2      GLU  63  -9.048  -3.190  -7.680
  446    HG3  GLU  63           HG1      GLU  63  -7.548  -3.118  -6.757
  447    H    LEU  64           HN       LEU  64  -7.342  -4.437  -3.973
  448    HA   LEU  64           HA       LEU  64  -5.383  -2.455  -4.160
  449    HB2  LEU  64           HB2      LEU  64  -7.095  -3.473  -2.143
  450    HB3  LEU  64           HB1      LEU  64  -5.456  -3.609  -1.519
  451    HG   LEU  64           HG       LEU  64  -6.828  -1.083  -2.415
  452   HD11  LEU  64          HD11      LEU  64  -5.747  -1.890   0.288
  453   HD12  LEU  64          HD12      LEU  64  -7.448  -2.026  -0.180
  454   HD13  LEU  64          HD13      LEU  64  -6.674  -0.439  -0.108
  455   HD21  LEU  64          HD21      LEU  64  -4.472  -1.104  -3.078
  456   HD22  LEU  64          HD22      LEU  64  -4.021  -1.508  -1.423
  457   HD23  LEU  64          HD23      LEU  64  -4.771   0.050  -1.775
  458    H    ARG  65           HN       ARG  65  -5.359  -5.687  -2.983
  459    HA   ARG  65           HA       ARG  65  -2.723  -5.866  -2.053
  460    HB2  ARG  65           HB2      ARG  65  -4.551  -7.420  -1.443
  461    HB3  ARG  65           HB1      ARG  65  -4.527  -8.086  -3.073
  462    HG2  ARG  65           HG2      ARG  65  -2.089  -8.139  -1.306
  463    HG3  ARG  65           HG1      ARG  65  -3.344  -9.370  -1.184
  464    HD2  ARG  65           HD2      ARG  65  -3.013  -9.988  -3.497
  465    HD3  ARG  65           HD1      ARG  65  -1.852  -8.680  -3.712
  466    HE   ARG  65           HE       ARG  65  -1.040 -10.416  -1.616
  467   HH11  ARG  65          HH11      ARG  65  -1.230 -10.181  -5.101
  468   HH12  ARG  65          HH12      ARG  65   0.111 -11.241  -5.381
  469   HH21  ARG  65          HH21      ARG  65   0.720 -11.837  -1.971
  470   HH22  ARG  65          HH22      ARG  65   1.226 -12.182  -3.593
  471    H    ASN  66           HN       ASN  66  -4.189  -6.887  -5.049
  472    HA   ASN  66           HA       ASN  66  -2.003  -7.866  -6.408
  473    HB2  ASN  66           HB2      ASN  66  -4.568  -6.574  -7.275
  474    HB3  ASN  66           HB1      ASN  66  -3.402  -7.117  -8.466
  475   HD21  ASN  66          HD21      ASN  66  -6.093  -8.058  -7.963
  476   HD22  ASN  66          HD22      ASN  66  -5.963  -9.741  -7.596
  477    H    THR  67           HN       THR  67  -3.073  -4.496  -6.072
  478    HA   THR  67           HA       THR  67  -1.043  -3.537  -7.861
  479    HB   THR  67           HB       THR  67  -2.711  -2.030  -5.862
  480    HG1  THR  67           HG1      THR  67  -4.041  -2.894  -7.447
  481   HG21  THR  67          HG21      THR  67  -0.706  -0.775  -6.426
  482   HG22  THR  67          HG22      THR  67  -2.113  -0.037  -7.199
  483   HG23  THR  67          HG23      THR  67  -1.008  -1.034  -8.146
  484    H    LEU  68           HN       LEU  68  -1.508  -3.401  -4.338
  485    HA   LEU  68           HA       LEU  68   0.759  -2.027  -3.593
  486    HB2  LEU  68           HB2      LEU  68  -0.321  -4.442  -2.151
  487    HB3  LEU  68           HB1      LEU  68   0.595  -3.126  -1.452
  488    HG   LEU  68           HG       LEU  68  -2.085  -2.665  -2.703
  489   HD11  LEU  68          HD11      LEU  68  -3.124  -3.062  -0.617
  490   HD12  LEU  68          HD12      LEU  68  -1.574  -3.267   0.194
  491   HD13  LEU  68          HD13      LEU  68  -2.131  -4.475  -0.959
  492   HD21  LEU  68          HD21      LEU  68  -0.628  -0.729  -2.243
  493   HD22  LEU  68          HD22      LEU  68  -0.547  -1.218  -0.550
  494   HD23  LEU  68          HD23      LEU  68  -2.087  -0.726  -1.254
  495    H    THR  69           HN       THR  69   0.414  -5.549  -3.627
  496    HA   THR  69           HA       THR  69   3.035  -6.177  -3.011
  497    HB   THR  69           HB       THR  69   0.647  -7.552  -3.928
  498    HG1  THR  69           HG1      THR  69   2.846  -8.680  -2.544
  499   HG21  THR  69          HG21      THR  69   3.270  -8.748  -4.826
  500   HG22  THR  69          HG22      THR  69   2.018  -8.101  -5.888
  501   HG23  THR  69          HG23      THR  69   1.686  -9.527  -4.898
  502    H    HIS  70           HN       HIS  70   1.572  -5.347  -6.061
  503    HA   HIS  70           HA       HIS  70   3.713  -6.327  -7.672
  504    HB2  HIS  70           HB2      HIS  70   1.363  -6.110  -8.464
  505    HB3  HIS  70           HB1      HIS  70   1.507  -4.372  -8.334
  506    HD1  HIS  70           HD1      HIS  70   2.286  -7.226 -10.550
  507    HD2  HIS  70           HD2      HIS  70   3.146  -3.165 -10.321
  508    HE1  HIS  70           HE1      HIS  70   3.126  -6.585 -12.830
  509    HE2  HIS  70           HE2      HIS  70   3.791  -4.166 -12.621
  510    H    ASN  71           HN       ASN  71   2.831  -3.214  -6.287
  511    HA   ASN  71           HA       ASN  71   4.977  -1.839  -7.620
  512    HB2  ASN  71           HB2      ASN  71   2.998  -0.981  -5.551
  513    HB3  ASN  71           HB1      ASN  71   4.293   0.070  -6.124
  514   HD21  ASN  71          HD21      ASN  71   1.368  -1.564  -6.941
  515   HD22  ASN  71          HD22      ASN  71   1.037  -0.686  -8.387
  516    H    THR  72           HN       THR  72   4.667  -3.582  -4.672
  517    HA   THR  72           HA       THR  72   7.078  -2.275  -3.629
  518    HB   THR  72           HB       THR  72   6.361  -3.043  -1.412
  519    HG1  THR  72           HG1      THR  72   3.880  -3.780  -2.583
  520   HG21  THR  72          HG21      THR  72   4.848  -1.330  -1.089
  521   HG22  THR  72          HG22      THR  72   3.940  -1.721  -2.549
  522   HG23  THR  72          HG23      THR  72   5.486  -0.876  -2.674
  523    H    GLY  73           HN       GLY  73   5.781  -5.222  -4.815
  524    HA2  GLY  73           HA2      GLY  73   7.139  -6.963  -5.572
  525    HA3  GLY  73           HA1      GLY  73   8.465  -6.258  -4.677
  526    H    LEU  74           HN       LEU  74   5.831  -6.451  -2.707
  527    HA   LEU  74           HA       LEU  74   7.130  -8.540  -1.201
  528    HB2  LEU  74           HB2      LEU  74   5.896  -6.203  -0.532
  529    HB3  LEU  74           HB1      LEU  74   4.658  -7.382  -0.145
  530    HG   LEU  74           HG       LEU  74   6.418  -8.625   1.169
  531   HD11  LEU  74          HD11      LEU  74   8.458  -7.579   1.675
  532   HD12  LEU  74          HD12      LEU  74   7.911  -6.026   1.045
  533   HD13  LEU  74          HD13      LEU  74   8.255  -7.351  -0.070
  534   HD21  LEU  74          HD21      LEU  74   5.866  -5.831   2.132
  535   HD22  LEU  74          HD22      LEU  74   6.129  -7.276   3.105
  536   HD23  LEU  74          HD23      LEU  74   4.664  -7.120   2.136
  537    H    ASP  75           HN       ASP  75   5.737 -10.081   0.002
  538    HA   ASP  75           HA       ASP  75   3.694 -11.205  -1.793
  539    HB2  ASP  75           HB2      ASP  75   5.819 -12.393  -2.064
  540    HB3  ASP  75           HB1      ASP  75   5.858 -12.684  -0.334
  541    H    LEU  76           HN       LEU  76   2.452  -9.931  -0.161
  542    HA   LEU  76           HA       LEU  76   1.947 -11.511   2.261
  543    HB2  LEU  76           HB2      LEU  76   2.443  -8.912   2.186
  544    HB3  LEU  76           HB1      LEU  76   0.737  -8.818   1.811
  545    HG   LEU  76           HG       LEU  76   1.291  -8.473   4.220
  546   HD11  LEU  76          HD11      LEU  76  -0.440 -10.020   5.109
  547   HD12  LEU  76          HD12      LEU  76  -0.494 -10.789   3.522
  548   HD13  LEU  76          HD13      LEU  76  -0.942  -9.096   3.698
  549   HD21  LEU  76          HD21      LEU  76   1.888 -10.373   5.599
  550   HD22  LEU  76          HD22      LEU  76   3.127 -10.078   4.380
  551   HD23  LEU  76          HD23      LEU  76   1.984 -11.404   4.174
  552    HA   PRO  77           HA       PRO  77  -1.706 -13.252   0.365
  553    HB2  PRO  77           HB2      PRO  77  -2.487 -13.345   3.246
  554    HB3  PRO  77           HB1      PRO  77  -2.558 -14.616   2.020
  555    HG2  PRO  77           HG2      PRO  77  -0.641 -14.629   3.846
  556    HG3  PRO  77           HG1      PRO  77  -0.283 -15.058   2.162
  557    HD2  PRO  77           HD2      PRO  77   0.322 -12.548   3.650
  558    HD3  PRO  77           HD1      PRO  77   1.271 -13.380   2.404
  559    HA   PRO  78           HA       PRO  78  -4.991 -10.311  -0.125
  560    HB2  PRO  78           HB2      PRO  78  -6.606 -12.639   0.815
  561    HB3  PRO  78           HB1      PRO  78  -6.916 -11.550  -0.540
  562    HG2  PRO  78           HG2      PRO  78  -5.898 -13.914  -1.036
  563    HG3  PRO  78           HG1      PRO  78  -5.191 -12.494  -1.835
  564    HD2  PRO  78           HD2      PRO  78  -4.151 -14.090   0.463
  565    HD3  PRO  78           HD1      PRO  78  -3.268 -13.311  -0.865
  566    H    THR  79           HN       THR  79  -4.330 -11.545   2.965
  567    HA   THR  79           HA       THR  79  -6.694 -10.301   4.141
  568    HB   THR  79           HB       THR  79  -5.833 -11.323   6.269
  569    HG1  THR  79           HG1      THR  79  -4.278 -13.184   5.558
  570   HG21  THR  79          HG21      THR  79  -6.346 -13.160   3.928
  571   HG22  THR  79          HG22      THR  79  -7.562 -12.420   4.972
  572   HG23  THR  79          HG23      THR  79  -6.457 -13.631   5.627
  573    H    LEU  80           HN       LEU  80  -4.350  -8.999   2.859
  574    HA   LEU  80           HA       LEU  80  -2.724  -7.804   4.844
  575    HB2  LEU  80           HB2      LEU  80  -2.061  -8.036   2.478
  576    HB3  LEU  80           HB1      LEU  80  -3.320  -6.908   2.021
  577    HG   LEU  80           HG       LEU  80  -2.188  -5.094   3.114
  578   HD11  LEU  80          HD11      LEU  80  -1.340  -6.285   5.056
  579   HD12  LEU  80          HD12      LEU  80  -0.048  -5.393   4.253
  580   HD13  LEU  80          HD13      LEU  80  -0.182  -7.137   4.037
  581   HD21  LEU  80          HD21      LEU  80  -0.244  -6.749   1.516
  582   HD22  LEU  80          HD22      LEU  80  -0.114  -5.017   1.825
  583   HD23  LEU  80          HD23      LEU  80  -1.451  -5.644   0.859
  584    H    ILE  81           HN       ILE  81  -5.700  -6.856   3.207
  585    HA   ILE  81           HA       ILE  81  -5.798  -4.260   4.447
  586    HB   ILE  81           HB       ILE  81  -8.141  -5.790   3.310
  587   HG12  ILE  81          HG12      ILE  81  -6.520  -5.670   1.561
  588   HG13  ILE  81          HG11      ILE  81  -7.693  -4.400   1.278
  589   HG21  ILE  81          HG21      ILE  81  -7.654  -2.844   3.589
  590   HG22  ILE  81          HG22      ILE  81  -8.680  -3.801   4.661
  591   HG23  ILE  81          HG23      ILE  81  -9.106  -3.608   2.957
  592   HD11  ILE  81          HD11      ILE  81  -5.355  -3.721   0.923
  593   HD12  ILE  81          HD12      ILE  81  -5.064  -3.987   2.644
  594   HD13  ILE  81          HD13      ILE  81  -6.214  -2.758   2.123
  595    H    PHE  82           HN       PHE  82  -7.129  -7.408   5.116
  596    HA   PHE  82           HA       PHE  82  -8.752  -6.723   7.290
  597    HB2  PHE  82           HB2      PHE  82  -7.370  -9.316   6.574
  598    HB3  PHE  82           HB1      PHE  82  -8.626  -9.155   7.789
  599    HD1  PHE  82           HD1      PHE  82 -10.873  -9.439   7.179
  600    HD2  PHE  82           HD2      PHE  82  -7.968  -8.523   4.199
  601    HE1  PHE  82           HE1      PHE  82 -12.569  -9.752   5.428
  602    HE2  PHE  82           HE2      PHE  82  -9.660  -8.841   2.449
  603    HZ   PHE  82           HZ       PHE  82 -12.020  -9.483   3.118
  604    H    ASP  83           HN       ASP  83  -5.341  -7.332   6.995
  605    HA   ASP  83           HA       ASP  83  -4.950  -7.387   9.884
  606    HB2  ASP  83           HB2      ASP  83  -3.706  -8.916   8.316
  607    HB3  ASP  83           HB1      ASP  83  -2.861  -7.500   7.708
  608    H    HIS  84           HN       HIS  84  -4.526  -5.274   7.150
  609    HA   HIS  84           HA       HIS  84  -3.673  -3.105   8.957
  610    HB2  HIS  84           HB2      HIS  84  -2.625  -3.720   6.193
  611    HB3  HIS  84           HB1      HIS  84  -2.350  -2.194   7.001
  612    HD1  HIS  84           HD1      HIS  84  -0.554  -2.171   8.877
  613    HD2  HIS  84           HD2      HIS  84  -1.222  -5.923   7.225
  614    HE1  HIS  84           HE1      HIS  84   1.313  -3.621   9.717
  615    HE2  HIS  84           HE2      HIS  84   0.723  -5.932   8.923
  616    HA   PRO  85           HA       PRO  85  -7.499  -2.194   6.813
  617    HB2  PRO  85           HB2      PRO  85  -8.802  -0.992   8.794
  618    HB3  PRO  85           HB1      PRO  85  -8.421  -2.716   8.864
  619    HG2  PRO  85           HG2      PRO  85  -7.073  -0.422  10.223
  620    HG3  PRO  85           HG1      PRO  85  -7.429  -2.042  10.847
  621    HD2  PRO  85           HD2      PRO  85  -4.976  -1.203   9.813
  622    HD3  PRO  85           HD1      PRO  85  -5.486  -2.889  10.027
  623    H    THR  86           HN       THR  86  -5.115   0.110   7.363
  624    HA   THR  86           HA       THR  86  -6.843   2.093   6.075
  625    HB   THR  86           HB       THR  86  -5.743   3.917   7.258
  626    HG1  THR  86           HG1      THR  86  -4.663   2.617   9.329
  627   HG21  THR  86          HG21      THR  86  -6.956   1.851   9.085
  628   HG22  THR  86          HG22      THR  86  -7.801   3.139   8.226
  629   HG23  THR  86          HG23      THR  86  -6.679   3.535   9.524
  630    HA   PRO  87           HA       PRO  87  -3.612   2.530   3.028
  631    HB2  PRO  87           HB2      PRO  87  -3.786   5.459   3.375
  632    HB3  PRO  87           HB1      PRO  87  -3.913   4.490   1.910
  633    HG2  PRO  87           HG2      PRO  87  -6.081   5.574   3.033
  634    HG3  PRO  87           HG1      PRO  87  -6.132   3.978   2.266
  635    HD2  PRO  87           HD2      PRO  87  -6.099   4.689   5.166
  636    HD3  PRO  87           HD1      PRO  87  -6.927   3.357   4.334
  637    H    HIS  88           HN       HIS  88  -3.456   4.504   5.926
  638    HA   HIS  88           HA       HIS  88  -0.649   4.885   5.988
  639    HB2  HIS  88           HB2      HIS  88  -2.330   6.125   7.376
  640    HB3  HIS  88           HB1      HIS  88  -2.574   4.662   8.313
  641    HD1  HIS  88           HD1      HIS  88   0.246   7.079   7.467
  642    HD2  HIS  88           HD2      HIS  88  -0.972   4.463  10.457
  643    HE1  HIS  88           HE1      HIS  88   1.909   7.365   9.329
  644    HE2  HIS  88           HE2      HIS  88   1.032   5.924  11.201
  645    H    ALA  89           HN       ALA  89  -2.764   2.484   7.536
  646    HA   ALA  89           HA       ALA  89  -0.854   0.890   8.746
  647    HB1  ALA  89           HB1      ALA  89  -3.234   0.642   9.126
  648    HB2  ALA  89           HB2      ALA  89  -2.510  -0.900   8.650
  649    HB3  ALA  89           HB3      ALA  89  -3.445   0.038   7.479
  650    H    LEU  90           HN       LEU  90  -2.333   0.297   5.530
  651    HA   LEU  90           HA       LEU  90  -0.757  -1.831   4.756
  652    HB2  LEU  90           HB2      LEU  90  -2.567  -0.026   3.518
  653    HB3  LEU  90           HB1      LEU  90  -1.147  -0.132   2.511
  654    HG   LEU  90           HG       LEU  90  -1.405  -2.479   2.221
  655   HD11  LEU  90          HD11      LEU  90  -2.075  -3.204   4.375
  656   HD12  LEU  90          HD12      LEU  90  -3.371  -3.636   3.262
  657   HD13  LEU  90          HD13      LEU  90  -3.545  -2.238   4.314
  658   HD21  LEU  90          HD21      LEU  90  -3.595  -2.572   1.161
  659   HD22  LEU  90          HD22      LEU  90  -2.777  -1.049   0.809
  660   HD23  LEU  90          HD23      LEU  90  -4.073  -1.104   2.005
  661    H    THR  91           HN       THR  91  -0.159   1.612   4.378
  662    HA   THR  91           HA       THR  91   2.230   1.421   2.982
  663    HB   THR  91           HB       THR  91   1.124   3.513   4.852
  664    HG1  THR  91           HG1      THR  91   0.094   3.530   2.917
  665   HG21  THR  91          HG21      THR  91   3.817   3.418   3.580
  666   HG22  THR  91          HG22      THR  91   3.342   4.029   5.164
  667   HG23  THR  91          HG23      THR  91   2.987   4.965   3.712
  668    H    GLN  92           HN       GLN  92   1.636   1.775   6.465
  669    HA   GLN  92           HA       GLN  92   4.174   1.637   7.473
  670    HB2  GLN  92           HB2      GLN  92   1.620   0.416   8.516
  671    HB3  GLN  92           HB1      GLN  92   3.097   0.503   9.460
  672    HG2  GLN  92           HG2      GLN  92   2.980   3.033   9.021
  673    HG3  GLN  92           HG1      GLN  92   1.323   2.718   8.531
  674   HE21  GLN  92          HE21      GLN  92   2.554   4.142  10.880
  675   HE22  GLN  92          HE22      GLN  92   1.759   3.454  12.256
  676    H    HIS  93           HN       HIS  93   2.076  -1.033   6.531
  677    HA   HIS  93           HA       HIS  93   3.671  -3.175   7.265
  678    HB2  HIS  93           HB2      HIS  93   1.415  -3.545   6.536
  679    HB3  HIS  93           HB1      HIS  93   1.749  -2.854   4.954
  680    HD1  HIS  93           HD1      HIS  93   2.684  -5.897   7.030
  681    HD2  HIS  93           HD2      HIS  93   2.478  -4.662   3.060
  682    HE1  HIS  93           HE1      HIS  93   3.122  -7.954   5.661
  683    HE2  HIS  93           HE2      HIS  93   2.852  -7.215   3.271
  684    H    LEU  94           HN       LEU  94   3.600  -1.561   4.047
  685    HA   LEU  94           HA       LEU  94   5.729  -3.268   3.104
  686    HB2  LEU  94           HB2      LEU  94   4.477  -0.806   1.867
  687    HB3  LEU  94           HB1      LEU  94   5.500  -1.964   1.043
  688    HG   LEU  94           HG       LEU  94   2.897  -2.771   2.316
  689   HD11  LEU  94          HD11      LEU  94   3.203  -2.121  -0.596
  690   HD12  LEU  94          HD12      LEU  94   2.629  -0.944   0.597
  691   HD13  LEU  94          HD13      LEU  94   1.732  -2.439   0.330
  692   HD21  LEU  94          HD21      LEU  94   3.045  -4.652   0.786
  693   HD22  LEU  94          HD22      LEU  94   4.518  -4.544   1.746
  694   HD23  LEU  94          HD23      LEU  94   4.516  -3.992   0.067
  695    H    HIS  95           HN       HIS  95   5.528  -0.276   4.738
  696    HA   HIS  95           HA       HIS  95   8.072   0.785   3.856
  697    HB2  HIS  95           HB2      HIS  95   6.208   2.250   4.661
  698    HB3  HIS  95           HB1      HIS  95   6.368   1.530   6.256
  699    HD1  HIS  95           HD1      HIS  95   8.258   2.348   7.742
  700    HD2  HIS  95           HD2      HIS  95   8.264   4.066   3.951
  701    HE1  HIS  95           HE1      HIS  95   9.909   4.230   7.857
  702    HE2  HIS  95           HE2      HIS  95   9.664   5.411   5.653
  703    H    THR  96           HN       THR  96   6.830  -1.252   6.352
  704    HA   THR  96           HA       THR  96   9.275  -1.195   7.900
  705    HB   THR  96           HB       THR  96   6.486  -2.034   8.280
  706    HG1  THR  96           HG1      THR  96   7.392  -1.592  10.562
  707   HG21  THR  96          HG21      THR  96   6.942  -3.733   9.962
  708   HG22  THR  96          HG22      THR  96   8.662  -3.659   9.577
  709   HG23  THR  96          HG23      THR  96   7.512  -4.232   8.368
  710    H    ARG  97           HN       ARG  97   7.376  -3.340   5.845
  711    HA   ARG  97           HA       ARG  97   8.956  -5.635   6.161
  712    HB2  ARG  97           HB2      ARG  97   7.038  -4.765   4.034
  713    HB3  ARG  97           HB1      ARG  97   7.850  -6.314   3.967
  714    HG2  ARG  97           HG2      ARG  97   6.171  -5.381   6.261
  715    HG3  ARG  97           HG1      ARG  97   5.554  -6.347   4.920
  716    HD2  ARG  97           HD2      ARG  97   7.763  -7.136   6.810
  717    HD3  ARG  97           HD1      ARG  97   6.106  -7.720   6.837
  718    HE   ARG  97           HE       ARG  97   7.482  -8.154   4.343
  719   HH11  ARG  97          HH11      ARG  97   6.725  -9.458   7.495
  720   HH12  ARG  97          HH12      ARG  97   7.027 -11.103   7.033
  721   HH21  ARG  97          HH21      ARG  97   7.906 -10.319   3.726
  722   HH22  ARG  97          HH22      ARG  97   7.704 -11.591   4.887
  723    H    LEU  98           HN       LEU  98   9.409  -2.799   4.298
  724    HA   LEU  98           HA       LEU  98  11.124  -3.496   2.299
  725    HB2  LEU  98           HB2      LEU  98  10.844  -1.181   4.068
  726    HB3  LEU  98           HB1      LEU  98  12.412  -1.332   3.323
  727    HG   LEU  98           HG       LEU  98  10.088  -0.202   2.210
  728   HD11  LEU  98          HD11      LEU  98  12.756  -0.918   1.015
  729   HD12  LEU  98          HD12      LEU  98  12.349   0.571   1.868
  730   HD13  LEU  98          HD13      LEU  98  11.595   0.210   0.313
  731   HD21  LEU  98          HD21      LEU  98   9.479  -2.540   1.546
  732   HD22  LEU  98          HD22      LEU  98  10.974  -2.599   0.606
  733   HD23  LEU  98          HD23      LEU  98   9.720  -1.433   0.197
  734    H    THR  99           HN       THR  99  11.892  -3.235   5.722
  735    HA   THR  99           HA       THR  99  14.503  -4.448   5.185
  736    HB   THR  99           HB       THR  99  14.829  -2.500   6.452
  737    HG1  THR  99           HG1      THR  99  16.022  -4.110   7.399
  738   HG21  THR  99          HG21      THR  99  12.599  -3.376   8.282
  739   HG22  THR  99          HG22      THR  99  12.511  -2.082   7.082
  740   HG23  THR  99          HG23      THR  99  13.584  -1.927   8.477
  741    H    GLN 100           HN       GLN 100  11.550  -4.817   7.070
  742    HA   GLN 100           HA       GLN 100  12.374  -7.296   8.258
  743    HB2  GLN 100           HB2      GLN 100   9.605  -6.142   8.063
  744    HB3  GLN 100           HB1      GLN 100  10.135  -7.402   9.162
  745    HG2  GLN 100           HG2      GLN 100  11.178  -4.584   9.166
  746    HG3  GLN 100           HG1      GLN 100   9.887  -5.179  10.204
  747   HE21  GLN 100          HE21      GLN 100  10.995  -4.777  12.082
  748   HE22  GLN 100          HE22      GLN 100  12.375  -5.691  12.578
  749    H    SER 101           HN       SER 101  12.858  -7.839   5.736
  750    HA   SER 101           HA       SER 101  10.922  -9.901   5.153
  751    HB2  SER 101           HB2      SER 101  10.099  -7.913   3.910
  752    HB3  SER 101           HB1      SER 101  11.613  -7.882   3.015
  753    HG   SER 101           HG       SER 101  10.446  -9.103   1.722
  754    H    HIS 102           HN       HIS 102  11.810 -10.817   2.802
  755    HA   HIS 102           HA       HIS 102  14.596 -11.492   3.447
  756    HB2  HIS 102           HB2      HIS 102  12.478 -13.126   2.084
  757    HB3  HIS 102           HB1      HIS 102  14.150 -13.615   2.195
  758    HD1  HIS 102           HD1      HIS 102  14.808 -14.882   4.243
  759    HD2  HIS 102           HD2      HIS 102  11.196 -12.874   4.715
  760    HE1  HIS 102           HE1      HIS 102  13.919 -15.597   6.483
  761    HE2  HIS 102           HE2      HIS 102  11.726 -14.385   6.745
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   6.863  -0.691 -17.840
    2    H2   GLY   1           HT2      GLY   1   8.502  -0.646 -17.433
    3    H3   GLY   1           HT3      GLY   1   7.350  -0.041 -16.357
    4    HA2  GLY   1           HA1      GLY   1   6.415  -2.255 -16.081
    5    HA3  GLY   1           HA2      GLY   1   7.641  -2.874 -17.177
    6    H    ALA   2           HN       ALA   2   6.950  -3.153 -14.177
    7    HA   ALA   2           HA       ALA   2   9.712  -2.755 -13.230
    8    HB1  ALA   2           HB1      ALA   2   8.156  -1.200 -12.136
    9    HB2  ALA   2           HB2      ALA   2   8.839  -2.358 -10.995
   10    HB3  ALA   2           HB3      ALA   2   7.189  -2.568 -11.582
   11    H    ALA   3           HN       ALA   3  10.575  -4.722 -13.365
   12    HA   ALA   3           HA       ALA   3   9.203  -7.163 -12.884
   13    HB1  ALA   3           HB1      ALA   3  11.332  -8.220 -13.039
   14    HB2  ALA   3           HB2      ALA   3  12.177  -6.720 -12.666
   15    HB3  ALA   3           HB3      ALA   3  11.336  -6.901 -14.213
   16    H    SER   4           HN       SER   4  12.088  -6.288 -11.130
   17    HA   SER   4           HA       SER   4  10.974  -7.201  -8.649
   18    HB2  SER   4           HB2      SER   4  13.423  -6.484  -8.011
   19    HB3  SER   4           HB1      SER   4  13.144  -7.951  -8.933
   20    HG   SER   4           HG       SER   4  14.762  -6.688  -9.896
   21    H    ALA   5           HN       ALA   5   9.390  -5.541  -8.312
   22    HA   ALA   5           HA       ALA   5  10.198  -2.787  -8.382
   23    HB1  ALA   5           HB1      ALA   5   7.979  -3.487  -9.127
   24    HB2  ALA   5           HB2      ALA   5   7.887  -2.300  -7.825
   25    HB3  ALA   5           HB3      ALA   5   7.593  -4.005  -7.486
   26    H    ALA   6           HN       ALA   6  10.689  -5.097  -6.041
   27    HA   ALA   6           HA       ALA   6  10.134  -3.378  -3.769
   28    HB1  ALA   6           HB1      ALA   6   9.896  -5.745  -3.443
   29    HB2  ALA   6           HB2      ALA   6  11.235  -5.163  -2.453
   30    HB3  ALA   6           HB3      ALA   6  11.561  -6.028  -3.956
   31    H    THR   7           HN       THR   7  12.636  -3.958  -5.973
   32    HA   THR   7           HA       THR   7  14.535  -2.494  -4.298
   33    HB   THR   7           HB       THR   7  15.427  -4.575  -5.204
   34    HG1  THR   7           HG1      THR   7  16.501  -2.112  -6.071
   35   HG21  THR   7          HG21      THR   7  14.992  -3.333  -7.921
   36   HG22  THR   7          HG22      THR   7  14.113  -4.717  -7.266
   37   HG23  THR   7          HG23      THR   7  15.842  -4.846  -7.602
   38    H    ASP   8           HN       ASP   8  12.137  -1.925  -6.383
   39    HA   ASP   8           HA       ASP   8  13.395   0.477  -7.472
   40    HB2  ASP   8           HB2      ASP   8  11.232  -1.239  -8.369
   41    HB3  ASP   8           HB1      ASP   8  10.752   0.451  -8.269
   42    H    LEU   9           HN       LEU   9  10.942  -0.816  -5.404
   43    HA   LEU   9           HA       LEU   9   9.634   1.622  -4.850
   44    HB2  LEU   9           HB2      LEU   9   8.514  -0.410  -4.318
   45    HB3  LEU   9           HB1      LEU   9   9.838  -0.953  -3.309
   46    HG   LEU   9           HG       LEU   9   9.418   1.062  -1.859
   47   HD11  LEU   9          HD11      LEU   9   6.822   1.133  -3.379
   48   HD12  LEU   9          HD12      LEU   9   8.145   2.317  -3.532
   49   HD13  LEU   9          HD13      LEU   9   7.272   2.139  -1.996
   50   HD21  LEU   9          HD21      LEU   9   8.805  -1.218  -1.260
   51   HD22  LEU   9          HD22      LEU   9   7.239  -0.999  -2.033
   52   HD23  LEU   9          HD23      LEU   9   7.667  -0.037  -0.622
   53    H    ALA  10           HN       ALA  10  11.795  -0.383  -2.964
   54    HA   ALA  10           HA       ALA  10  12.483   1.515  -0.995
   55    HB1  ALA  10           HB1      ALA  10  12.919  -0.840  -0.688
   56    HB2  ALA  10           HB2      ALA  10  14.437   0.057  -0.571
   57    HB3  ALA  10           HB3      ALA  10  14.052  -0.842  -2.042
   58    H    ALA  11           HN       ALA  11  13.068   1.678  -4.242
   59    HA   ALA  11           HA       ALA  11  15.614   3.038  -4.077
   60    HB1  ALA  11           HB1      ALA  11  15.198   1.659  -6.000
   61    HB2  ALA  11           HB2      ALA  11  15.315   3.347  -6.498
   62    HB3  ALA  11           HB3      ALA  11  13.732   2.569  -6.370
   63    H    ARG  12           HN       ARG  12  12.126   3.820  -4.565
   64    HA   ARG  12           HA       ARG  12  12.428   6.610  -4.722
   65    HB2  ARG  12           HB2      ARG  12  10.295   4.715  -3.859
   66    HB3  ARG  12           HB1      ARG  12  10.075   6.417  -3.530
   67    HG2  ARG  12           HG2      ARG  12   8.932   6.046  -5.505
   68    HG3  ARG  12           HG1      ARG  12  10.474   6.726  -6.017
   69    HD2  ARG  12           HD2      ARG  12  10.248   3.796  -5.767
   70    HD3  ARG  12           HD1      ARG  12   9.469   4.576  -7.155
   71    HE   ARG  12           HE       ARG  12  12.211   5.383  -6.728
   72   HH11  ARG  12          HH11      ARG  12  10.094   3.111  -8.349
   73   HH12  ARG  12          HH12      ARG  12  11.265   2.680  -9.557
   74   HH21  ARG  12          HH21      ARG  12  13.742   4.853  -8.326
   75   HH22  ARG  12          HH22      ARG  12  13.343   3.690  -9.550
   76    H    LEU  13           HN       LEU  13  12.499   4.321  -2.157
   77    HA   LEU  13           HA       LEU  13  12.043   6.222  -0.044
   78    HB2  LEU  13           HB2      LEU  13  12.564   3.287  -0.198
   79    HB3  LEU  13           HB1      LEU  13  12.604   4.112   1.344
   80    HG   LEU  13           HG       LEU  13  10.279   4.632   1.226
   81   HD11  LEU  13          HD11      LEU  13   9.871   5.336  -0.924
   82   HD12  LEU  13          HD12      LEU  13   8.926   3.853  -0.761
   83   HD13  LEU  13          HD13      LEU  13  10.467   3.832  -1.634
   84   HD21  LEU  13          HD21      LEU  13  10.794   2.362   1.904
   85   HD22  LEU  13          HD22      LEU  13  10.684   1.834   0.225
   86   HD23  LEU  13          HD23      LEU  13   9.252   2.442   1.054
   87    H    ASN  14           HN       ASN  14  14.645   4.326  -1.350
   88    HA   ASN  14           HA       ASN  14  16.715   4.920   0.363
   89    HB2  ASN  14           HB2      ASN  14  16.342   3.921  -2.302
   90    HB3  ASN  14           HB1      ASN  14  17.775   4.957  -2.247
   91   HD21  ASN  14          HD21      ASN  14  16.286   2.039  -1.171
   92   HD22  ASN  14          HD22      ASN  14  17.692   1.310  -0.481
   93    H    GLY  15           HN       GLY  15  17.790   6.680   0.877
   94    HA2  GLY  15           HA2      GLY  15  18.852   8.748   0.472
   95    HA3  GLY  15           HA1      GLY  15  17.841   8.962  -0.952
   96    H    LEU  16           HN       LEU  16  15.623   7.959   0.988
   97    HA   LEU  16           HA       LEU  16  14.955  10.677   1.849
   98    HB2  LEU  16           HB2      LEU  16  13.366   8.349   0.910
   99    HB3  LEU  16           HB1      LEU  16  12.613   9.443   2.047
  100    HG   LEU  16           HG       LEU  16  11.966  10.115  -0.143
  101   HD11  LEU  16          HD11      LEU  16  12.664  11.807   1.579
  102   HD12  LEU  16          HD12      LEU  16  12.623  12.372  -0.096
  103   HD13  LEU  16          HD13      LEU  16  14.167  11.978   0.665
  104   HD21  LEU  16          HD21      LEU  16  13.759   9.014  -1.407
  105   HD22  LEU  16          HD22      LEU  16  14.903  10.228  -0.834
  106   HD23  LEU  16          HD23      LEU  16  13.569  10.702  -1.886
  107    H    SER  17           HN       SER  17  13.666  10.890   3.787
  108    HA   SER  17           HA       SER  17  14.724   9.353   5.989
  109    HB2  SER  17           HB2      SER  17  12.653  11.561   5.930
  110    HB3  SER  17           HB1      SER  17  13.495  10.963   7.353
  111    HG   SER  17           HG       SER  17  15.208  12.089   6.820
  112    HA   PRO  18           HA       PRO  18  11.738   6.242   6.576
  113    HB2  PRO  18           HB2      PRO  18  11.064   7.571   9.176
  114    HB3  PRO  18           HB1      PRO  18  11.379   5.861   8.840
  115    HG2  PRO  18           HG2      PRO  18  13.288   7.310   9.927
  116    HG3  PRO  18           HG1      PRO  18  13.689   6.221   8.582
  117    HD2  PRO  18           HD2      PRO  18  13.361   9.186   8.570
  118    HD3  PRO  18           HD1      PRO  18  14.535   8.172   7.706
  119    H    GLN  19           HN       GLN  19  10.473   9.362   7.739
  120    HA   GLN  19           HA       GLN  19   7.743   8.765   7.248
  121    HB2  GLN  19           HB2      GLN  19   8.567  10.555   8.781
  122    HB3  GLN  19           HB1      GLN  19   9.006  11.494   7.359
  123    HG2  GLN  19           HG2      GLN  19   6.923  12.326   7.983
  124    HG3  GLN  19           HG1      GLN  19   6.597  11.231   6.638
  125   HE21  GLN  19          HE21      GLN  19   4.829  12.152   8.764
  126   HE22  GLN  19          HE22      GLN  19   4.250  10.727   9.552
  127    H    GLN  20           HN       GLN  20  10.270  10.173   5.268
  128    HA   GLN  20           HA       GLN  20   8.564  11.113   3.167
  129    HB2  GLN  20           HB2      GLN  20  11.515  10.469   3.295
  130    HB3  GLN  20           HB1      GLN  20  10.735  11.123   1.858
  131    HG2  GLN  20           HG2      GLN  20  10.850  12.470   4.542
  132    HG3  GLN  20           HG1      GLN  20  11.904  12.823   3.181
  133   HE21  GLN  20          HE21      GLN  20  10.043  14.556   4.599
  134   HE22  GLN  20          HE22      GLN  20   8.936  15.149   3.411
  135    H    GLN  21           HN       GLN  21  10.624   8.320   3.696
  136    HA   GLN  21           HA       GLN  21  10.102   6.787   1.447
  137    HB2  GLN  21           HB2      GLN  21  10.489   5.957   4.330
  138    HB3  GLN  21           HB1      GLN  21  10.603   4.861   2.966
  139    HG2  GLN  21           HG2      GLN  21  12.508   6.069   2.115
  140    HG3  GLN  21           HG1      GLN  21  12.375   7.262   3.413
  141   HE21  GLN  21          HE21      GLN  21  14.434   6.786   4.216
  142   HE22  GLN  21          HE22      GLN  21  14.785   5.304   5.043
  143    H    GLN  22           HN       GLN  22   8.278   7.179   4.416
  144    HA   GLN  22           HA       GLN  22   6.289   5.261   3.917
  145    HB2  GLN  22           HB2      GLN  22   6.764   6.346   6.108
  146    HB3  GLN  22           HB1      GLN  22   6.021   7.799   5.475
  147    HG2  GLN  22           HG2      GLN  22   4.276   5.599   5.079
  148    HG3  GLN  22           HG1      GLN  22   4.811   5.640   6.750
  149   HE21  GLN  22          HE21      GLN  22   2.181   6.143   5.618
  150   HE22  GLN  22          HE22      GLN  22   1.732   7.737   6.110
  151    H    GLN  23           HN       GLN  23   6.491   8.716   3.226
  152    HA   GLN  23           HA       GLN  23   3.987   9.216   2.230
  153    HB2  GLN  23           HB2      GLN  23   6.617  10.296   1.398
  154    HB3  GLN  23           HB1      GLN  23   5.084  10.992   0.896
  155    HG2  GLN  23           HG2      GLN  23   4.496  11.445   3.183
  156    HG3  GLN  23           HG1      GLN  23   5.959  10.668   3.746
  157   HE21  GLN  23          HE21      GLN  23   5.878  12.680   0.909
  158   HE22  GLN  23          HE22      GLN  23   6.774  13.999   1.575
  159    H    THR  24           HN       THR  24   6.756   7.898   0.457
  160    HA   THR  24           HA       THR  24   5.675   7.921  -2.119
  161    HB   THR  24           HB       THR  24   7.655   6.207  -0.674
  162    HG1  THR  24           HG1      THR  24   7.933   7.941  -2.914
  163   HG21  THR  24          HG21      THR  24   6.498   4.762  -2.338
  164   HG22  THR  24          HG22      THR  24   8.204   5.027  -2.711
  165   HG23  THR  24          HG23      THR  24   6.959   5.908  -3.600
  166    H    LEU  25           HN       LEU  25   5.427   5.448   0.427
  167    HA   LEU  25           HA       LEU  25   3.641   3.787  -1.121
  168    HB2  LEU  25           HB2      LEU  25   4.146   3.899   1.835
  169    HB3  LEU  25           HB1      LEU  25   3.309   2.614   0.998
  170    HG   LEU  25           HG       LEU  25   6.095   3.221   0.166
  171   HD11  LEU  25          HD11      LEU  25   6.103   3.279   2.637
  172   HD12  LEU  25          HD12      LEU  25   7.013   1.919   1.969
  173   HD13  LEU  25          HD13      LEU  25   5.404   1.659   2.646
  174   HD21  LEU  25          HD21      LEU  25   4.437   0.724   0.498
  175   HD22  LEU  25          HD22      LEU  25   6.105   0.756  -0.061
  176   HD23  LEU  25          HD23      LEU  25   4.844   1.529  -1.017
  177    H    ALA  26           HN       ALA  26   3.427   6.195   1.394
  178    HA   ALA  26           HA       ALA  26   0.621   6.123   1.741
  179    HB1  ALA  26           HB1      ALA  26   2.341   8.527   2.270
  180    HB2  ALA  26           HB2      ALA  26   2.512   7.065   3.240
  181    HB3  ALA  26           HB3      ALA  26   0.963   7.925   3.200
  182    H    THR  27           HN       THR  27   2.146   6.738  -0.928
  183    HA   THR  27           HA       THR  27   0.178   8.660  -1.914
  184    HB   THR  27           HB       THR  27   3.087   8.271  -2.592
  185    HG1  THR  27           HG1      THR  27   2.811   9.904  -1.175
  186   HG21  THR  27          HG21      THR  27   1.085   9.696  -4.337
  187   HG22  THR  27          HG22      THR  27   1.880   8.162  -4.706
  188   HG23  THR  27          HG23      THR  27   2.834   9.643  -4.576
  189    H    LEU  28           HN       LEU  28   2.302   5.975  -2.696
  190    HA   LEU  28           HA       LEU  28   1.047   5.188  -5.063
  191    HB2  LEU  28           HB2      LEU  28   3.229   4.495  -4.905
  192    HB3  LEU  28           HB1      LEU  28   3.056   4.062  -3.223
  193    HG   LEU  28           HG       LEU  28   1.376   2.300  -4.227
  194   HD11  LEU  28          HD11      LEU  28   1.695   3.021  -6.526
  195   HD12  LEU  28          HD12      LEU  28   2.177   1.339  -6.288
  196   HD13  LEU  28          HD13      LEU  28   3.406   2.604  -6.413
  197   HD21  LEU  28          HD21      LEU  28   4.331   2.095  -3.880
  198   HD22  LEU  28          HD22      LEU  28   3.328   0.692  -4.262
  199   HD23  LEU  28          HD23      LEU  28   3.033   1.614  -2.776
  200    H    VAL  29           HN       VAL  29   0.905   4.049  -1.772
  201    HA   VAL  29           HA       VAL  29  -0.748   1.814  -2.274
  202    HB   VAL  29           HB       VAL  29  -0.140   3.371   0.235
  203   HG11  VAL  29          HG11      VAL  29  -1.645   0.760   0.063
  204   HG12  VAL  29          HG12      VAL  29  -2.395   2.327   0.359
  205   HG13  VAL  29          HG13      VAL  29  -1.247   1.664   1.525
  206   HG21  VAL  29          HG21      VAL  29   1.668   2.068  -0.832
  207   HG22  VAL  29          HG22      VAL  29   0.692   0.609  -0.644
  208   HG23  VAL  29          HG23      VAL  29   1.252   1.485   0.781
  209    H    ALA  30           HN       ALA  30  -1.290   5.154  -1.559
  210    HA   ALA  30           HA       ALA  30  -4.130   4.863  -1.271
  211    HB1  ALA  30           HB1      ALA  30  -4.058   7.349  -1.287
  212    HB2  ALA  30           HB2      ALA  30  -2.310   7.230  -1.484
  213    HB3  ALA  30           HB3      ALA  30  -3.081   6.588  -0.030
  214    H    ALA  31           HN       ALA  31  -1.825   5.697  -3.710
  215    HA   ALA  31           HA       ALA  31  -3.585   6.455  -5.769
  216    HB1  ALA  31           HB1      ALA  31  -0.827   5.239  -5.715
  217    HB2  ALA  31           HB2      ALA  31  -1.288   6.899  -6.097
  218    HB3  ALA  31           HB3      ALA  31  -1.653   5.601  -7.236
  219    H    ALA  32           HN       ALA  32  -2.253   3.419  -4.697
  220    HA   ALA  32           HA       ALA  32  -3.517   1.623  -6.376
  221    HB1  ALA  32           HB1      ALA  32  -3.225   0.048  -4.460
  222    HB2  ALA  32           HB2      ALA  32  -2.733   1.436  -3.477
  223    HB3  ALA  32           HB3      ALA  32  -1.772   0.963  -4.878
  224    H    THR  33           HN       THR  33  -4.662   2.978  -3.255
  225    HA   THR  33           HA       THR  33  -7.166   1.567  -3.516
  226    HB   THR  33           HB       THR  33  -6.595   3.833  -1.604
  227    HG1  THR  33           HG1      THR  33  -4.978   2.130  -1.478
  228   HG21  THR  33          HG21      THR  33  -8.895   3.257  -1.610
  229   HG22  THR  33          HG22      THR  33  -8.203   2.439  -0.206
  230   HG23  THR  33          HG23      THR  33  -8.537   1.532  -1.685
  231    H    ALA  34           HN       ALA  34  -5.923   4.680  -4.424
  232    HA   ALA  34           HA       ALA  34  -8.379   5.922  -4.992
  233    HB1  ALA  34           HB1      ALA  34  -6.284   7.171  -4.993
  234    HB2  ALA  34           HB2      ALA  34  -7.076   7.316  -6.565
  235    HB3  ALA  34           HB3      ALA  34  -5.700   6.229  -6.367
  236    H    THR  35           HN       THR  35  -6.316   3.689  -6.699
  237    HA   THR  35           HA       THR  35  -7.672   3.559  -9.141
  238    HB   THR  35           HB       THR  35  -5.738   1.872  -7.641
  239    HG1  THR  35           HG1      THR  35  -4.854   3.433  -8.926
  240   HG21  THR  35          HG21      THR  35  -5.811   0.100  -9.253
  241   HG22  THR  35          HG22      THR  35  -7.092   0.917 -10.148
  242   HG23  THR  35          HG23      THR  35  -7.407   0.304  -8.518
  243    H    VAL  36           HN       VAL  36  -7.843   1.453  -6.263
  244    HA   VAL  36           HA       VAL  36  -9.561  -0.454  -7.286
  245    HB   VAL  36           HB       VAL  36 -10.161  -0.950  -4.919
  246   HG11  VAL  36          HG11      VAL  36  -8.384  -2.194  -5.594
  247   HG12  VAL  36          HG12      VAL  36  -7.734  -1.353  -4.190
  248   HG13  VAL  36          HG13      VAL  36  -7.349  -0.782  -5.814
  249   HG21  VAL  36          HG21      VAL  36  -8.772   1.586  -4.475
  250   HG22  VAL  36          HG22      VAL  36  -8.564   0.293  -3.295
  251   HG23  VAL  36          HG23      VAL  36 -10.178   0.894  -3.664
  252    H    LEU  37           HN       LEU  37 -10.340   2.667  -5.894
  253    HA   LEU  37           HA       LEU  37 -13.179   1.986  -5.799
  254    HB2  LEU  37           HB2      LEU  37 -11.892   4.566  -4.968
  255    HB3  LEU  37           HB1      LEU  37 -13.448   3.933  -4.474
  256    HG   LEU  37           HG       LEU  37 -10.822   2.645  -3.781
  257   HD11  LEU  37          HD11      LEU  37 -11.085   3.633  -1.581
  258   HD12  LEU  37          HD12      LEU  37 -12.513   4.505  -2.136
  259   HD13  LEU  37          HD13      LEU  37 -10.931   4.864  -2.832
  260   HD21  LEU  37          HD21      LEU  37 -12.155   1.444  -2.122
  261   HD22  LEU  37          HD22      LEU  37 -12.743   1.150  -3.759
  262   HD23  LEU  37          HD23      LEU  37 -13.607   2.264  -2.700
  263    H    GLY  38           HN       GLY  38 -11.366   2.846  -8.275
  264    HA2  GLY  38           HA2      GLY  38 -11.950   3.756 -10.318
  265    HA3  GLY  38           HA1      GLY  38 -13.539   4.107  -9.658
  266    H    HIS  39           HN       HIS  39 -10.577   5.238  -8.209
  267    HA   HIS  39           HA       HIS  39 -11.173   7.984  -9.120
  268    HB2  HIS  39           HB2      HIS  39 -10.069   7.006  -6.475
  269    HB3  HIS  39           HB1      HIS  39  -9.977   8.685  -6.982
  270    HD1  HIS  39           HD1      HIS  39 -11.928  10.124  -6.419
  271    HD2  HIS  39           HD2      HIS  39 -12.829   6.077  -6.147
  272    HE1  HIS  39           HE1      HIS  39 -14.207  10.009  -5.377
  273    HE2  HIS  39           HE2      HIS  39 -14.667   7.551  -5.079
  274    H    HIS  40           HN       HIS  40  -8.928   9.291  -8.571
  275    HA   HIS  40           HA       HIS  40  -6.633   7.603  -9.202
  276    HB2  HIS  40           HB2      HIS  40  -7.542   8.578 -11.349
  277    HB3  HIS  40           HB1      HIS  40  -7.129  10.168 -10.719
  278    HD1  HIS  40           HD1      HIS  40  -4.954  10.976 -11.565
  279    HD2  HIS  40           HD2      HIS  40  -5.037   6.833 -11.235
  280    HE1  HIS  40           HE1      HIS  40  -2.704  10.185 -12.371
  281    HE2  HIS  40           HE2      HIS  40  -2.748   7.684 -12.083
  282    H    THR  41           HN       THR  41  -8.023   9.943  -7.325
  283    HA   THR  41           HA       THR  41  -5.534  11.330  -6.746
  284    HB   THR  41           HB       THR  41  -6.979  12.466  -4.985
  285    HG1  THR  41           HG1      THR  41  -9.212  12.011  -6.538
  286   HG21  THR  41          HG21      THR  41  -6.242  13.655  -6.912
  287   HG22  THR  41          HG22      THR  41  -7.956  14.006  -6.665
  288   HG23  THR  41          HG23      THR  41  -7.461  12.872  -7.924
  289    HA   PRO  42           HA       PRO  42  -4.836   8.641  -3.199
  290    HB2  PRO  42           HB2      PRO  42  -2.316  10.104  -3.050
  291    HB3  PRO  42           HB1      PRO  42  -2.581   8.387  -3.354
  292    HG2  PRO  42           HG2      PRO  42  -1.660  10.080  -5.260
  293    HG3  PRO  42           HG1      PRO  42  -2.662   8.663  -5.631
  294    HD2  PRO  42           HD2      PRO  42  -3.474  11.545  -5.420
  295    HD3  PRO  42           HD1      PRO  42  -3.962  10.321  -6.611
  296    H    GLU  43           HN       GLU  43  -4.961  11.990  -3.728
  297    HA   GLU  43           HA       GLU  43  -4.623  12.942  -1.080
  298    HB2  GLU  43           HB2      GLU  43  -6.077  14.124  -3.440
  299    HB3  GLU  43           HB1      GLU  43  -5.740  14.987  -1.943
  300    HG2  GLU  43           HG2      GLU  43  -3.695  13.803  -3.767
  301    HG3  GLU  43           HG1      GLU  43  -4.164  15.501  -3.756
  302    H    SER  44           HN       SER  44  -7.367  11.962  -3.036
  303    HA   SER  44           HA       SER  44  -9.373  12.574  -1.110
  304    HB2  SER  44           HB2      SER  44  -9.772  12.434  -3.575
  305    HB3  SER  44           HB1      SER  44  -9.506  10.698  -3.462
  306    HG   SER  44           HG       SER  44 -11.425  10.426  -2.621
  307    H    ILE  45           HN       ILE  45  -7.183  10.027  -1.611
  308    HA   ILE  45           HA       ILE  45  -8.636   8.066  -0.055
  309    HB   ILE  45           HB       ILE  45  -5.801   7.968  -1.071
  310   HG12  ILE  45          HG12      ILE  45  -7.293   8.245  -2.946
  311   HG13  ILE  45          HG11      ILE  45  -6.738   6.579  -2.898
  312   HG21  ILE  45          HG21      ILE  45  -5.871   5.621  -0.712
  313   HG22  ILE  45          HG22      ILE  45  -7.594   5.672  -0.329
  314   HG23  ILE  45          HG23      ILE  45  -6.423   6.389   0.782
  315   HD11  ILE  45          HD11      ILE  45  -9.405   7.546  -1.913
  316   HD12  ILE  45          HD12      ILE  45  -8.847   5.873  -1.952
  317   HD13  ILE  45          HD13      ILE  45  -9.100   6.756  -3.457
  318    H    SER  46           HN       SER  46  -8.822   9.209   1.922
  319    HA   SER  46           HA       SER  46  -6.610  10.256   3.333
  320    HB2  SER  46           HB2      SER  46  -9.101   9.258   4.658
  321    HB3  SER  46           HB1      SER  46  -8.114  10.652   5.074
  322    HG   SER  46           HG       SER  46  -8.805  11.527   2.977
  323    HA   PRO  47           HA       PRO  47  -4.817   6.542   4.684
  324    HB2  PRO  47           HB2      PRO  47  -3.022   7.484   6.378
  325    HB3  PRO  47           HB1      PRO  47  -3.040   8.072   4.714
  326    HG2  PRO  47           HG2      PRO  47  -4.005   9.392   7.199
  327    HG3  PRO  47           HG1      PRO  47  -3.244  10.108   5.774
  328    HD2  PRO  47           HD2      PRO  47  -6.020   9.949   6.349
  329    HD3  PRO  47           HD1      PRO  47  -5.275  10.491   4.822
  330    H    ALA  48           HN       ALA  48  -6.807   8.218   6.785
  331    HA   ALA  48           HA       ALA  48  -6.418   6.223   8.873
  332    HB1  ALA  48           HB1      ALA  48  -7.113   9.084   9.393
  333    HB2  ALA  48           HB2      ALA  48  -5.453   8.497   9.301
  334    HB3  ALA  48           HB3      ALA  48  -6.546   7.869  10.543
  335    H    THR  49           HN       THR  49  -8.441   7.331   6.611
  336    HA   THR  49           HA       THR  49 -10.970   7.297   7.851
  337    HB   THR  49           HB       THR  49  -9.987   6.888   5.047
  338    HG1  THR  49           HG1      THR  49 -11.810   8.844   5.410
  339   HG21  THR  49          HG21      THR  49 -12.864   6.813   5.920
  340   HG22  THR  49          HG22      THR  49 -11.919   5.445   5.330
  341   HG23  THR  49          HG23      THR  49 -12.277   6.801   4.256
  342    H    ALA  50           HN       ALA  50  -8.991   4.907   6.280
  343    HA   ALA  50           HA       ALA  50  -8.745   2.655   6.765
  344    HB1  ALA  50           HB1      ALA  50 -10.518   1.292   7.702
  345    HB2  ALA  50           HB2      ALA  50 -11.614   2.677   7.675
  346    HB3  ALA  50           HB3      ALA  50 -10.196   2.692   8.728
  347    H    PHE  51           HN       PHE  51  -8.826   1.147   5.334
  348    HA   PHE  51           HA       PHE  51  -9.770   1.539   2.764
  349    HB2  PHE  51           HB2      PHE  51  -9.116  -0.983   4.261
  350    HB3  PHE  51           HB1      PHE  51  -9.446  -0.948   2.530
  351    HD1  PHE  51           HD1      PHE  51  -8.141   1.306   1.517
  352    HD2  PHE  51           HD2      PHE  51  -6.914  -1.260   4.657
  353    HE1  PHE  51           HE1      PHE  51  -5.807   1.913   1.079
  354    HE2  PHE  51           HE2      PHE  51  -4.576  -0.672   4.240
  355    HZ   PHE  51           HZ       PHE  51  -4.011   0.920   2.436
  356    H    LYS  52           HN       LYS  52 -11.183  -0.403   5.350
  357    HA   LYS  52           HA       LYS  52 -13.425  -1.372   4.121
  358    HB2  LYS  52           HB2      LYS  52 -13.074  -0.271   6.914
  359    HB3  LYS  52           HB1      LYS  52 -14.420  -1.283   6.403
  360    HG2  LYS  52           HG2      LYS  52 -12.846  -3.084   5.890
  361    HG3  LYS  52           HG1      LYS  52 -11.509  -2.054   6.377
  362    HD2  LYS  52           HD2      LYS  52 -13.766  -2.877   8.176
  363    HD3  LYS  52           HD1      LYS  52 -12.213  -3.705   8.104
  364    HE2  LYS  52           HE2      LYS  52 -11.138  -1.507   8.667
  365    HE3  LYS  52           HE1      LYS  52 -12.758  -0.872   8.943
  366    HZ1  LYS  52           HZ1      LYS  52 -13.090  -2.426  10.702
  367    HZ2  LYS  52           HZ2      LYS  52 -11.625  -1.632  10.983
  368    HZ3  LYS  52           HZ3      LYS  52 -11.628  -3.209  10.373
  369    H    ASP  53           HN       ASP  53 -12.839   1.749   5.603
  370    HA   ASP  53           HA       ASP  53 -15.523   2.669   5.229
  371    HB2  ASP  53           HB2      ASP  53 -13.000   4.038   6.187
  372    HB3  ASP  53           HB1      ASP  53 -14.563   4.852   6.077
  373    H    LEU  54           HN       LEU  54 -12.864   2.363   3.299
  374    HA   LEU  54           HA       LEU  54 -13.316   4.711   1.644
  375    HB2  LEU  54           HB2      LEU  54 -11.245   2.562   1.776
  376    HB3  LEU  54           HB1      LEU  54 -11.385   3.523   0.324
  377    HG   LEU  54           HG       LEU  54 -10.990   4.730   3.060
  378   HD11  LEU  54          HD11      LEU  54  -8.618   4.990   2.373
  379   HD12  LEU  54          HD12      LEU  54  -8.935   3.885   1.037
  380   HD13  LEU  54          HD13      LEU  54  -9.101   3.328   2.703
  381   HD21  LEU  54          HD21      LEU  54 -10.581   5.767   0.269
  382   HD22  LEU  54          HD22      LEU  54 -10.195   6.641   1.751
  383   HD23  LEU  54          HD23      LEU  54 -11.869   6.229   1.380
  384    H    GLY  55           HN       GLY  55 -14.047   1.330   1.744
  385    HA2  GLY  55           HA2      GLY  55 -15.957   0.762   0.241
  386    HA3  GLY  55           HA1      GLY  55 -15.008   1.489  -1.050
  387    H    ILE  56           HN       ILE  56 -12.815   0.110   0.867
  388    HA   ILE  56           HA       ILE  56 -12.262  -2.069  -0.836
  389    HB   ILE  56           HB       ILE  56 -11.297  -1.426   1.945
  390   HG12  ILE  56          HG12      ILE  56 -10.245   0.134   0.659
  391   HG13  ILE  56          HG11      ILE  56  -9.102  -1.183   0.546
  392   HG21  ILE  56          HG21      ILE  56 -10.733  -3.732   0.196
  393   HG22  ILE  56          HG22      ILE  56 -10.960  -3.651   1.948
  394   HG23  ILE  56          HG23      ILE  56  -9.453  -3.085   1.218
  395   HD11  ILE  56          HD11      ILE  56 -10.087  -1.825  -1.613
  396   HD12  ILE  56          HD12      ILE  56  -9.378  -0.212  -1.601
  397   HD13  ILE  56          HD13      ILE  56 -11.127  -0.397  -1.517
  398    H    ASP  57           HN       ASP  57 -13.942  -3.544  -0.999
  399    HA   ASP  57           HA       ASP  57 -14.435  -5.059   1.481
  400    HB2  ASP  57           HB2      ASP  57 -16.422  -3.715   0.703
  401    HB3  ASP  57           HB1      ASP  57 -16.451  -4.722  -0.741
  402    H    SER  58           HN       SER  58 -12.722  -6.421   0.918
  403    HA   SER  58           HA       SER  58 -11.923  -8.427   0.264
  404    HB2  SER  58           HB2      SER  58 -14.548  -8.834  -1.087
  405    HB3  SER  58           HB1      SER  58 -13.377 -10.085  -0.715
  406    HG   SER  58           HG       SER  58 -15.218  -8.835   0.915
  407    H    LEU  59           HN       LEU  59 -13.900  -7.463  -2.535
  408    HA   LEU  59           HA       LEU  59 -12.156  -8.495  -4.473
  409    HB2  LEU  59           HB2      LEU  59 -14.160  -6.254  -4.653
  410    HB3  LEU  59           HB1      LEU  59 -13.314  -6.902  -6.031
  411    HG   LEU  59           HG       LEU  59 -14.403  -9.069  -5.721
  412   HD11  LEU  59          HD11      LEU  59 -16.195  -9.367  -4.123
  413   HD12  LEU  59          HD12      LEU  59 -15.906  -7.753  -3.471
  414   HD13  LEU  59          HD13      LEU  59 -14.677  -9.008  -3.296
  415   HD21  LEU  59          HD21      LEU  59 -16.251  -6.699  -5.780
  416   HD22  LEU  59          HD22      LEU  59 -16.691  -8.333  -6.281
  417   HD23  LEU  59          HD23      LEU  59 -15.445  -7.446  -7.159
  418    H    THR  60           HN       THR  60 -12.619  -5.175  -3.346
  419    HA   THR  60           HA       THR  60 -10.424  -4.246  -4.956
  420    HB   THR  60           HB       THR  60 -10.870  -2.100  -3.535
  421    HG1  THR  60           HG1      THR  60 -13.490  -2.878  -3.337
  422   HG21  THR  60          HG21      THR  60 -12.567  -1.453  -5.147
  423   HG22  THR  60          HG22      THR  60 -12.882  -3.148  -5.522
  424   HG23  THR  60          HG23      THR  60 -11.321  -2.429  -5.936
  425    H    ALA  61           HN       ALA  61 -10.773  -5.690  -1.956
  426    HA   ALA  61           HA       ALA  61  -8.403  -4.552  -0.773
  427    HB1  ALA  61           HB1      ALA  61 -10.245  -5.542   0.585
  428    HB2  ALA  61           HB2      ALA  61  -8.644  -6.189   0.951
  429    HB3  ALA  61           HB3      ALA  61  -9.777  -7.131  -0.026
  430    H    LEU  62           HN       LEU  62  -9.300  -7.441  -2.602
  431    HA   LEU  62           HA       LEU  62  -6.684  -8.527  -2.674
  432    HB2  LEU  62           HB2      LEU  62  -9.078  -9.536  -3.206
  433    HB3  LEU  62           HB1      LEU  62  -8.667  -9.011  -4.817
  434    HG   LEU  62           HG       LEU  62  -7.775 -11.040  -5.075
  435   HD11  LEU  62          HD11      LEU  62  -5.480 -11.310  -4.432
  436   HD12  LEU  62          HD12      LEU  62  -5.646 -10.091  -3.166
  437   HD13  LEU  62          HD13      LEU  62  -5.765  -9.622  -4.862
  438   HD21  LEU  62          HD21      LEU  62  -8.884 -11.967  -3.194
  439   HD22  LEU  62          HD22      LEU  62  -7.750 -11.216  -2.078
  440   HD23  LEU  62          HD23      LEU  62  -7.209 -12.518  -3.139
  441    H    GLU  63           HN       GLU  63  -8.611  -6.515  -4.957
  442    HA   GLU  63           HA       GLU  63  -6.627  -6.315  -6.919
  443    HB2  GLU  63           HB2      GLU  63  -8.739  -5.699  -7.628
  444    HB3  GLU  63           HB1      GLU  63  -9.134  -4.926  -6.102
  445    HG2  GLU  63           HG2      GLU  63  -9.026  -3.178  -7.580
  446    HG3  GLU  63           HG1      GLU  63  -7.472  -3.180  -6.751
  447    H    LEU  64           HN       LEU  64  -7.314  -4.474  -3.948
  448    HA   LEU  64           HA       LEU  64  -5.314  -2.537  -4.171
  449    HB2  LEU  64           HB2      LEU  64  -7.006  -3.521  -2.108
  450    HB3  LEU  64           HB1      LEU  64  -5.353  -3.630  -1.516
  451    HG   LEU  64           HG       LEU  64  -6.728  -1.128  -2.488
  452   HD11  LEU  64          HD11      LEU  64  -5.731  -1.889   0.259
  453   HD12  LEU  64          HD12      LEU  64  -7.419  -1.976  -0.250
  454   HD13  LEU  64          HD13      LEU  64  -6.592  -0.415  -0.191
  455   HD21  LEU  64          HD21      LEU  64  -3.942  -1.556  -1.437
  456   HD22  LEU  64          HD22      LEU  64  -4.671   0.006  -1.819
  457   HD23  LEU  64          HD23      LEU  64  -4.364  -1.170  -3.104
  458    H    ARG  65           HN       ARG  65  -5.330  -5.761  -2.962
  459    HA   ARG  65           HA       ARG  65  -2.695  -5.999  -2.075
  460    HB2  ARG  65           HB2      ARG  65  -4.385  -7.603  -1.420
  461    HB3  ARG  65           HB1      ARG  65  -4.618  -8.111  -3.091
  462    HG2  ARG  65           HG2      ARG  65  -1.935  -8.417  -1.788
  463    HG3  ARG  65           HG1      ARG  65  -3.221  -9.573  -1.442
  464    HD2  ARG  65           HD2      ARG  65  -3.410 -10.125  -3.787
  465    HD3  ARG  65           HD1      ARG  65  -2.242  -8.875  -4.209
  466    HE   ARG  65           HE       ARG  65  -1.028 -10.631  -2.400
  467   HH11  ARG  65          HH11      ARG  65  -2.242 -10.627  -5.695
  468   HH12  ARG  65          HH12      ARG  65  -1.129 -11.843  -6.232
  469   HH21  ARG  65          HH21      ARG  65   0.429 -12.224  -3.114
  470   HH22  ARG  65          HH22      ARG  65   0.390 -12.762  -4.763
  471    H    ASN  66           HN       ASN  66  -4.173  -6.950  -5.081
  472    HA   ASN  66           HA       ASN  66  -1.962  -7.926  -6.419
  473    HB2  ASN  66           HB2      ASN  66  -4.585  -6.763  -7.277
  474    HB3  ASN  66           HB1      ASN  66  -3.413  -7.265  -8.482
  475   HD21  ASN  66          HD21      ASN  66  -6.027  -8.377  -7.934
  476   HD22  ASN  66          HD22      ASN  66  -5.776 -10.038  -7.518
  477    H    THR  67           HN       THR  67  -3.089  -4.579  -6.120
  478    HA   THR  67           HA       THR  67  -1.076  -3.585  -7.903
  479    HB   THR  67           HB       THR  67  -2.663  -2.111  -5.811
  480    HG1  THR  67           HG1      THR  67  -4.064  -2.991  -7.336
  481   HG21  THR  67          HG21      THR  67  -1.096  -1.098  -8.182
  482   HG22  THR  67          HG22      THR  67  -0.693  -0.852  -6.483
  483   HG23  THR  67          HG23      THR  67  -2.141  -0.109  -7.163
  484    H    LEU  68           HN       LEU  68  -1.484  -3.493  -4.376
  485    HA   LEU  68           HA       LEU  68   0.797  -2.159  -3.630
  486    HB2  LEU  68           HB2      LEU  68  -0.287  -4.592  -2.222
  487    HB3  LEU  68           HB1      LEU  68   0.654  -3.304  -1.508
  488    HG   LEU  68           HG       LEU  68  -2.046  -2.804  -2.705
  489   HD11  LEU  68          HD11      LEU  68  -2.000  -4.625  -0.927
  490   HD12  LEU  68          HD12      LEU  68  -3.067  -3.255  -0.653
  491   HD13  LEU  68          HD13      LEU  68  -1.525  -3.353   0.197
  492   HD21  LEU  68          HD21      LEU  68  -0.436  -1.367  -0.595
  493   HD22  LEU  68          HD22      LEU  68  -1.997  -0.866  -1.245
  494   HD23  LEU  68          HD23      LEU  68  -0.573  -0.877  -2.284
  495    H    THR  69           HN       THR  69   0.454  -5.692  -3.720
  496    HA   THR  69           HA       THR  69   3.099  -6.225  -3.022
  497    HB   THR  69           HB       THR  69   0.988  -7.746  -2.986
  498    HG1  THR  69           HG1      THR  69   3.499  -8.836  -3.797
  499   HG21  THR  69          HG21      THR  69   0.840  -9.333  -4.845
  500   HG22  THR  69          HG22      THR  69   2.072  -8.422  -5.720
  501   HG23  THR  69          HG23      THR  69   0.508  -7.685  -5.378
  502    H    HIS  70           HN       HIS  70   1.673  -5.408  -6.062
  503    HA   HIS  70           HA       HIS  70   3.809  -6.369  -7.703
  504    HB2  HIS  70           HB2      HIS  70   1.499  -6.008  -8.571
  505    HB3  HIS  70           HB1      HIS  70   1.698  -4.285  -8.305
  506    HD1  HIS  70           HD1      HIS  70   2.676  -7.033 -10.634
  507    HD2  HIS  70           HD2      HIS  70   3.336  -2.956 -10.155
  508    HE1  HIS  70           HE1      HIS  70   3.696  -6.252 -12.796
  509    HE2  HIS  70           HE2      HIS  70   4.214  -3.812 -12.435
  510    H    ASN  71           HN       ASN  71   2.891  -3.252  -6.319
  511    HA   ASN  71           HA       ASN  71   5.002  -1.838  -7.654
  512    HB2  ASN  71           HB2      ASN  71   2.994  -1.025  -5.589
  513    HB3  ASN  71           HB1      ASN  71   4.240   0.067  -6.187
  514   HD21  ASN  71          HD21      ASN  71   1.387  -1.714  -6.974
  515   HD22  ASN  71          HD22      ASN  71   1.013  -0.865  -8.428
  516    H    THR  72           HN       THR  72   4.724  -3.558  -4.734
  517    HA   THR  72           HA       THR  72   7.084  -2.226  -3.627
  518    HB   THR  72           HB       THR  72   6.363  -3.239  -1.479
  519    HG1  THR  72           HG1      THR  72   3.901  -3.851  -2.732
  520   HG21  THR  72          HG21      THR  72   5.521  -0.965  -2.590
  521   HG22  THR  72          HG22      THR  72   4.856  -1.536  -1.058
  522   HG23  THR  72          HG23      THR  72   3.971  -1.811  -2.560
  523    H    GLY  73           HN       GLY  73   6.025  -5.008  -5.176
  524    HA2  GLY  73           HA2      GLY  73   7.527  -6.513  -6.143
  525    HA3  GLY  73           HA1      GLY  73   8.764  -5.876  -5.077
  526    H    LEU  74           HN       LEU  74   6.083  -6.501  -3.361
  527    HA   LEU  74           HA       LEU  74   7.373  -8.665  -2.005
  528    HB2  LEU  74           HB2      LEU  74   5.800  -6.553  -1.287
  529    HB3  LEU  74           HB1      LEU  74   4.663  -7.875  -1.202
  530    HG   LEU  74           HG       LEU  74   6.297  -9.075   0.272
  531   HD11  LEU  74          HD11      LEU  74   7.641  -6.396   0.486
  532   HD12  LEU  74          HD12      LEU  74   8.207  -7.643  -0.624
  533   HD13  LEU  74          HD13      LEU  74   8.187  -7.952   1.119
  534   HD21  LEU  74          HD21      LEU  74   4.343  -7.728   1.084
  535   HD22  LEU  74          HD22      LEU  74   5.461  -6.385   1.331
  536   HD23  LEU  74          HD23      LEU  74   5.669  -7.885   2.231
  537    H    ASP  75           HN       ASP  75   5.896 -10.460  -1.208
  538    HA   ASP  75           HA       ASP  75   4.176 -11.433  -3.371
  539    HB2  ASP  75           HB2      ASP  75   6.504 -12.261  -3.716
  540    HB3  ASP  75           HB1      ASP  75   6.397 -13.043  -2.149
  541    H    LEU  76           HN       LEU  76   2.972 -10.534  -1.329
  542    HA   LEU  76           HA       LEU  76   2.440 -12.818   0.444
  543    HB2  LEU  76           HB2      LEU  76   2.040  -9.870   0.945
  544    HB3  LEU  76           HB1      LEU  76   1.502 -11.138   2.031
  545    HG   LEU  76           HG       LEU  76   4.358 -10.463   1.320
  546   HD11  LEU  76          HD11      LEU  76   2.853 -10.314   3.925
  547   HD12  LEU  76          HD12      LEU  76   3.307  -8.943   2.914
  548   HD13  LEU  76          HD13      LEU  76   4.556  -9.923   3.683
  549   HD21  LEU  76          HD21      LEU  76   4.154 -12.864   1.523
  550   HD22  LEU  76          HD22      LEU  76   3.276 -12.688   3.043
  551   HD23  LEU  76          HD23      LEU  76   4.972 -12.211   2.942
  552    HA   PRO  77           HA       PRO  77  -1.593 -13.183  -1.299
  553    HB2  PRO  77           HB2      PRO  77  -2.846 -14.385   0.797
  554    HB3  PRO  77           HB1      PRO  77  -1.678 -15.220  -0.232
  555    HG2  PRO  77           HG2      PRO  77  -1.277 -13.959   2.453
  556    HG3  PRO  77           HG1      PRO  77  -0.709 -15.532   1.860
  557    HD2  PRO  77           HD2      PRO  77   0.897 -13.375   1.957
  558    HD3  PRO  77           HD1      PRO  77   1.037 -14.599   0.678
  559    HA   PRO  78           HA       PRO  78  -4.604 -10.122   0.158
  560    HB2  PRO  78           HB2      PRO  78  -6.758 -11.702   0.924
  561    HB3  PRO  78           HB1      PRO  78  -6.446 -11.112  -0.708
  562    HG2  PRO  78           HG2      PRO  78  -5.811 -13.770   0.503
  563    HG3  PRO  78           HG1      PRO  78  -6.428 -13.395  -1.117
  564    HD2  PRO  78           HD2      PRO  78  -3.871 -14.007  -0.766
  565    HD3  PRO  78           HD1      PRO  78  -4.336 -12.710  -1.885
  566    H    THR  79           HN       THR  79  -6.628 -10.406   2.145
  567    HA   THR  79           HA       THR  79  -6.946  -9.905   4.257
  568    HB   THR  79           HB       THR  79  -6.010 -11.330   6.026
  569    HG1  THR  79           HG1      THR  79  -4.219 -11.998   4.038
  570   HG21  THR  79          HG21      THR  79  -7.013 -12.816   3.599
  571   HG22  THR  79          HG22      THR  79  -8.004 -12.032   4.830
  572   HG23  THR  79          HG23      THR  79  -7.019 -13.433   5.252
  573    H    LEU  80           HN       LEU  80  -4.490  -8.784   2.749
  574    HA   LEU  80           HA       LEU  80  -2.809  -7.786   4.822
  575    HB2  LEU  80           HB2      LEU  80  -3.341  -6.625   2.081
  576    HB3  LEU  80           HB1      LEU  80  -2.006  -6.203   3.134
  577    HG   LEU  80           HG       LEU  80  -2.436  -8.894   1.831
  578   HD11  LEU  80          HD11      LEU  80  -0.453  -8.308   0.521
  579   HD12  LEU  80          HD12      LEU  80  -0.430  -6.713   1.273
  580   HD13  LEU  80          HD13      LEU  80  -1.779  -7.180   0.238
  581   HD21  LEU  80          HD21      LEU  80  -0.172  -7.883   3.549
  582   HD22  LEU  80          HD22      LEU  80  -0.199  -9.420   2.684
  583   HD23  LEU  80          HD23      LEU  80  -1.346  -9.125   3.991
  584    H    ILE  81           HN       ILE  81  -5.713  -6.665   3.210
  585    HA   ILE  81           HA       ILE  81  -5.792  -4.111   4.498
  586    HB   ILE  81           HB       ILE  81  -8.176  -5.606   3.387
  587   HG12  ILE  81          HG12      ILE  81  -6.597  -5.597   1.613
  588   HG13  ILE  81          HG11      ILE  81  -7.685  -4.262   1.311
  589   HG21  ILE  81          HG21      ILE  81  -7.599  -2.669   3.607
  590   HG22  ILE  81          HG22      ILE  81  -8.683  -3.575   4.666
  591   HG23  ILE  81          HG23      ILE  81  -9.062  -3.390   2.949
  592   HD11  ILE  81          HD11      ILE  81  -6.083  -2.702   2.121
  593   HD12  ILE  81          HD12      ILE  81  -5.326  -3.736   0.906
  594   HD13  ILE  81          HD13      ILE  81  -5.005  -4.005   2.622
  595    H    PHE  82           HN       PHE  82  -7.023  -7.281   5.198
  596    HA   PHE  82           HA       PHE  82  -8.638  -6.610   7.399
  597    HB2  PHE  82           HB2      PHE  82  -7.316  -9.193   6.566
  598    HB3  PHE  82           HB1      PHE  82  -8.476  -9.063   7.875
  599    HD1  PHE  82           HD1      PHE  82 -10.698  -9.417   7.440
  600    HD2  PHE  82           HD2      PHE  82  -8.142  -8.226   4.248
  601    HE1  PHE  82           HE1      PHE  82 -12.554  -9.688   5.855
  602    HE2  PHE  82           HE2      PHE  82  -9.998  -8.500   2.659
  603    HZ   PHE  82           HZ       PHE  82 -12.208  -9.228   3.459
  604    H    ASP  83           HN       ASP  83  -5.218  -7.180   7.069
  605    HA   ASP  83           HA       ASP  83  -4.846  -7.209   9.968
  606    HB2  ASP  83           HB2      ASP  83  -3.520  -8.723   8.419
  607    HB3  ASP  83           HB1      ASP  83  -2.696  -7.279   7.848
  608    H    HIS  84           HN       HIS  84  -4.445  -5.164   7.186
  609    HA   HIS  84           HA       HIS  84  -3.613  -2.949   8.938
  610    HB2  HIS  84           HB2      HIS  84  -2.545  -3.669   6.212
  611    HB3  HIS  84           HB1      HIS  84  -2.317  -2.086   6.923
  612    HD1  HIS  84           HD1      HIS  84  -0.610  -1.908   8.885
  613    HD2  HIS  84           HD2      HIS  84  -1.023  -5.739   7.323
  614    HE1  HIS  84           HE1      HIS  84   1.319  -3.221   9.804
  615    HE2  HIS  84           HE2      HIS  84   0.952  -5.572   8.985
  616    HA   PRO  85           HA       PRO  85  -7.445  -2.120   6.732
  617    HB2  PRO  85           HB2      PRO  85  -8.821  -0.998   8.711
  618    HB3  PRO  85           HB1      PRO  85  -8.417  -2.719   8.743
  619    HG2  PRO  85           HG2      PRO  85  -7.127  -0.442  10.191
  620    HG3  PRO  85           HG1      PRO  85  -7.495  -2.075  10.773
  621    HD2  PRO  85           HD2      PRO  85  -5.016  -1.218   9.844
  622    HD3  PRO  85           HD1      PRO  85  -5.534  -2.910   9.971
  623    H    THR  86           HN       THR  86  -5.106   0.181   7.421
  624    HA   THR  86           HA       THR  86  -6.830   2.209   6.198
  625    HB   THR  86           HB       THR  86  -5.729   3.984   7.445
  626    HG1  THR  86           HG1      THR  86  -4.542   2.762   9.434
  627   HG21  THR  86          HG21      THR  86  -6.838   1.829   9.244
  628   HG22  THR  86          HG22      THR  86  -7.753   3.102   8.436
  629   HG23  THR  86          HG23      THR  86  -6.606   3.513   9.709
  630    HA   PRO  87           HA       PRO  87  -3.618   2.658   3.128
  631    HB2  PRO  87           HB2      PRO  87  -3.823   5.590   3.483
  632    HB3  PRO  87           HB1      PRO  87  -3.948   4.620   2.017
  633    HG2  PRO  87           HG2      PRO  87  -6.124   5.673   3.158
  634    HG3  PRO  87           HG1      PRO  87  -6.159   4.077   2.388
  635    HD2  PRO  87           HD2      PRO  87  -6.107   4.784   5.289
  636    HD3  PRO  87           HD1      PRO  87  -6.935   3.448   4.464
  637    H    HIS  88           HN       HIS  88  -3.470   4.580   6.053
  638    HA   HIS  88           HA       HIS  88  -0.671   4.956   6.168
  639    HB2  HIS  88           HB2      HIS  88  -2.266   6.146   7.620
  640    HB3  HIS  88           HB1      HIS  88  -2.712   4.634   8.387
  641    HD1  HIS  88           HD1      HIS  88   0.420   6.773   7.974
  642    HD2  HIS  88           HD2      HIS  88  -1.383   4.180  10.674
  643    HE1  HIS  88           HE1      HIS  88   1.892   6.785  10.010
  644    HE2  HIS  88           HE2      HIS  88   0.703   5.325  11.681
  645    H    ALA  89           HN       ALA  89  -2.774   2.481   7.603
  646    HA   ALA  89           HA       ALA  89  -0.840   0.873   8.771
  647    HB1  ALA  89           HB1      ALA  89  -2.515  -0.900   8.720
  648    HB2  ALA  89           HB2      ALA  89  -3.475   0.047   7.580
  649    HB3  ALA  89           HB3      ALA  89  -3.214   0.644   9.220
  650    H    LEU  90           HN       LEU  90  -2.425   0.259   5.592
  651    HA   LEU  90           HA       LEU  90  -0.922  -1.908   4.812
  652    HB2  LEU  90           HB2      LEU  90  -2.750  -0.195   3.623
  653    HB3  LEU  90           HB1      LEU  90  -1.326  -0.038   2.643
  654    HG   LEU  90           HG       LEU  90  -1.312  -2.362   2.113
  655   HD11  LEU  90          HD11      LEU  90  -2.034  -3.270   4.247
  656   HD12  LEU  90          HD12      LEU  90  -3.047  -3.880   2.944
  657   HD13  LEU  90          HD13      LEU  90  -3.647  -2.603   4.002
  658   HD21  LEU  90          HD21      LEU  90  -2.736  -0.985   0.752
  659   HD22  LEU  90          HD22      LEU  90  -4.057  -1.147   1.910
  660   HD23  LEU  90          HD23      LEU  90  -3.508  -2.550   1.002
  661    H    THR  91           HN       THR  91  -0.238   1.497   4.419
  662    HA   THR  91           HA       THR  91   2.102   1.236   2.962
  663    HB   THR  91           HB       THR  91   1.036   3.366   4.803
  664    HG1  THR  91           HG1      THR  91   0.044   3.576   2.923
  665   HG21  THR  91          HG21      THR  91   3.728   3.291   3.504
  666   HG22  THR  91          HG22      THR  91   3.294   3.762   5.145
  667   HG23  THR  91          HG23      THR  91   2.899   4.820   3.790
  668    H    GLN  92           HN       GLN  92   1.535   1.445   6.448
  669    HA   GLN  92           HA       GLN  92   4.168   1.306   7.341
  670    HB2  GLN  92           HB2      GLN  92   1.606   0.308   8.573
  671    HB3  GLN  92           HB1      GLN  92   3.136   0.326   9.430
  672    HG2  GLN  92           HG2      GLN  92   3.109   2.864   8.686
  673    HG3  GLN  92           HG1      GLN  92   1.375   2.567   8.628
  674   HE21  GLN  92          HE21      GLN  92   1.494   0.592  10.782
  675   HE22  GLN  92          HE22      GLN  92   1.694   1.498  12.239
  676    H    HIS  93           HN       HIS  93   1.990  -1.206   6.267
  677    HA   HIS  93           HA       HIS  93   3.465  -3.455   7.102
  678    HB2  HIS  93           HB2      HIS  93   1.202  -3.761   6.430
  679    HB3  HIS  93           HB1      HIS  93   1.483  -3.009   4.867
  680    HD1  HIS  93           HD1      HIS  93   2.545  -6.152   6.741
  681    HD2  HIS  93           HD2      HIS  93   1.889  -4.779   2.867
  682    HE1  HIS  93           HE1      HIS  93   2.799  -8.163   5.261
  683    HE2  HIS  93           HE2      HIS  93   2.176  -7.351   2.964
  684    H    LEU  94           HN       LEU  94   3.418  -1.822   3.910
  685    HA   LEU  94           HA       LEU  94   5.544  -3.501   2.902
  686    HB2  LEU  94           HB2      LEU  94   4.328  -0.955   1.804
  687    HB3  LEU  94           HB1      LEU  94   5.373  -2.057   0.924
  688    HG   LEU  94           HG       LEU  94   2.762  -2.961   2.104
  689   HD11  LEU  94          HD11      LEU  94   2.499  -1.014   0.513
  690   HD12  LEU  94          HD12      LEU  94   1.600  -2.487   0.158
  691   HD13  LEU  94          HD13      LEU  94   3.068  -2.117  -0.752
  692   HD21  LEU  94          HD21      LEU  94   2.943  -4.739   0.464
  693   HD22  LEU  94          HD22      LEU  94   4.423  -4.670   1.417
  694   HD23  LEU  94          HD23      LEU  94   4.397  -4.008  -0.225
  695    H    HIS  95           HN       HIS  95   5.375  -0.510   4.638
  696    HA   HIS  95           HA       HIS  95   7.994   0.437   3.852
  697    HB2  HIS  95           HB2      HIS  95   6.149   1.942   4.694
  698    HB3  HIS  95           HB1      HIS  95   6.356   1.211   6.281
  699    HD1  HIS  95           HD1      HIS  95   8.587   1.767   7.551
  700    HD2  HIS  95           HD2      HIS  95   8.020   3.864   4.008
  701    HE1  HIS  95           HE1      HIS  95  10.224   3.664   7.624
  702    HE2  HIS  95           HE2      HIS  95   9.658   5.059   5.613
  703    H    THR  96           HN       THR  96   6.588  -1.754   6.103
  704    HA   THR  96           HA       THR  96   8.794  -1.871   7.918
  705    HB   THR  96           HB       THR  96   6.142  -3.201   7.546
  706    HG1  THR  96           HG1      THR  96   6.326  -1.344   8.850
  707   HG21  THR  96          HG21      THR  96   8.275  -4.294   9.358
  708   HG22  THR  96          HG22      THR  96   7.639  -5.064   7.905
  709   HG23  THR  96          HG23      THR  96   6.587  -4.809   9.297
  710    H    ARG  97           HN       ARG  97   7.440  -3.651   5.214
  711    HA   ARG  97           HA       ARG  97   9.128  -5.878   5.339
  712    HB2  ARG  97           HB2      ARG  97   7.443  -4.680   3.185
  713    HB3  ARG  97           HB1      ARG  97   8.395  -6.118   2.887
  714    HG2  ARG  97           HG2      ARG  97   6.411  -5.808   5.098
  715    HG3  ARG  97           HG1      ARG  97   6.053  -6.558   3.540
  716    HD2  ARG  97           HD2      ARG  97   8.270  -7.481   5.365
  717    HD3  ARG  97           HD1      ARG  97   6.634  -8.132   5.404
  718    HE   ARG  97           HE       ARG  97   7.099  -8.625   2.926
  719   HH11  ARG  97          HH11      ARG  97   9.538  -8.725   5.438
  720   HH12  ARG  97          HH12      ARG  97  10.456  -9.974   4.657
  721   HH21  ARG  97          HH21      ARG  97   8.316 -10.264   1.905
  722   HH22  ARG  97          HH22      ARG  97   9.781 -10.825   2.643
  723    H    LEU  98           HN       LEU  98   9.784  -2.726   4.363
  724    HA   LEU  98           HA       LEU  98  12.065  -3.417   2.764
  725    HB2  LEU  98           HB2      LEU  98  10.920  -0.902   3.784
  726    HB3  LEU  98           HB1      LEU  98  12.579  -0.901   3.233
  727    HG   LEU  98           HG       LEU  98  11.806  -0.512   1.177
  728   HD11  LEU  98          HD11      LEU  98  10.532  -3.240   1.373
  729   HD12  LEU  98          HD12      LEU  98  12.206  -2.915   0.904
  730   HD13  LEU  98          HD13      LEU  98  10.881  -2.354  -0.113
  731   HD21  LEU  98          HD21      LEU  98   9.745   0.279   2.183
  732   HD22  LEU  98          HD22      LEU  98   9.100  -1.362   2.123
  733   HD23  LEU  98          HD23      LEU  98   9.466  -0.501   0.627
  734    H    THR  99           HN       THR  99  11.586  -3.614   6.045
  735    HA   THR  99           HA       THR  99  14.399  -2.969   6.584
  736    HB   THR  99           HB       THR  99  13.182  -1.033   7.139
  737    HG1  THR  99           HG1      THR  99  14.606  -2.374   8.920
  738   HG21  THR  99          HG21      THR  99  11.434  -1.008   8.895
  739   HG22  THR  99          HG22      THR  99  11.408  -2.770   8.794
  740   HG23  THR  99          HG23      THR  99  10.972  -1.795   7.381
  741    H    GLN 100           HN       GLN 100  12.036  -5.224   6.841
  742    HA   GLN 100           HA       GLN 100  13.542  -6.563   8.962
  743    HB2  GLN 100           HB2      GLN 100  11.322  -7.568   9.685
  744    HB3  GLN 100           HB1      GLN 100  11.603  -5.878  10.059
  745    HG2  GLN 100           HG2      GLN 100   9.399  -6.010   9.329
  746    HG3  GLN 100           HG1      GLN 100  10.321  -5.299   8.004
  747   HE21  GLN 100          HE21      GLN 100   8.592  -8.112   9.126
  748   HE22  GLN 100          HE22      GLN 100   8.449  -8.884   7.585
  749    H    SER 101           HN       SER 101  13.420  -6.639   5.946
  750    HA   SER 101           HA       SER 101  12.422  -9.330   5.474
  751    HB2  SER 101           HB2      SER 101  13.180  -8.662   3.054
  752    HB3  SER 101           HB1      SER 101  11.699  -7.990   3.730
  753    HG   SER 101           HG       SER 101  12.562  -6.114   3.423
  754    H    HIS 102           HN       HIS 102  13.751 -10.829   4.265
  755    HA   HIS 102           HA       HIS 102  16.619 -10.459   4.715
  756    HB2  HIS 102           HB2      HIS 102  15.016 -12.900   5.434
  757    HB3  HIS 102           HB1      HIS 102  16.758 -12.878   5.370
  758    HD1  HIS 102           HD1      HIS 102  17.968 -12.076   7.428
  759    HD2  HIS 102           HD2      HIS 102  13.908 -11.206   7.520
  760    HE1  HIS 102           HE1      HIS 102  17.510 -11.226   9.746
  761    HE2  HIS 102           HE2      HIS 102  15.023 -10.842   9.822
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   6.585  -6.328 -14.881
    2    H2   GLY   1           HT2      GLY   1   6.608  -7.642 -15.947
    3    H3   GLY   1           HT3      GLY   1   7.819  -7.482 -14.781
    4    HA2  GLY   1           HA1      GLY   1   4.952  -7.995 -14.253
    5    HA3  GLY   1           HA2      GLY   1   6.250  -9.172 -14.121
    6    H    ALA   2           HN       ALA   2   6.221  -9.602 -11.991
    7    HA   ALA   2           HA       ALA   2   6.920  -7.388 -10.201
    8    HB1  ALA   2           HB1      ALA   2   4.531  -7.806  -9.902
    9    HB2  ALA   2           HB2      ALA   2   5.439  -8.273  -8.464
   10    HB3  ALA   2           HB3      ALA   2   4.863  -9.509  -9.583
   11    H    ALA   3           HN       ALA   3   8.734  -9.066 -11.352
   12    HA   ALA   3           HA       ALA   3   9.385 -11.377  -9.864
   13    HB1  ALA   3           HB1      ALA   3  10.337 -10.707 -12.111
   14    HB2  ALA   3           HB2      ALA   3  11.505 -11.298 -10.928
   15    HB3  ALA   3           HB3      ALA   3  11.364  -9.566 -11.231
   16    H    SER   4           HN       SER   4  10.475  -8.040  -9.685
   17    HA   SER   4           HA       SER   4  11.196  -8.287  -6.914
   18    HB2  SER   4           HB2      SER   4  13.589  -7.522  -7.531
   19    HB3  SER   4           HB1      SER   4  13.195  -9.227  -7.693
   20    HG   SER   4           HG       SER   4  14.187  -8.649  -9.569
   21    H    ALA   5           HN       ALA   5   9.320  -6.675  -7.677
   22    HA   ALA   5           HA       ALA   5  10.350  -4.077  -8.471
   23    HB1  ALA   5           HB1      ALA   5   7.561  -4.884  -7.638
   24    HB2  ALA   5           HB2      ALA   5   8.166  -4.834  -9.293
   25    HB3  ALA   5           HB3      ALA   5   8.026  -3.345  -8.361
   26    H    ALA   6           HN       ALA   6  10.402  -5.746  -5.676
   27    HA   ALA   6           HA       ALA   6   9.752  -3.714  -3.786
   28    HB1  ALA   6           HB1      ALA   6  11.537  -6.134  -3.532
   29    HB2  ALA   6           HB2      ALA   6   9.820  -6.043  -3.132
   30    HB3  ALA   6           HB3      ALA   6  10.995  -5.121  -2.194
   31    H    THR   7           HN       THR   7  12.920  -4.895  -5.026
   32    HA   THR   7           HA       THR   7  14.343  -2.689  -4.106
   33    HB   THR   7           HB       THR   7  15.413  -4.747  -4.847
   34    HG1  THR   7           HG1      THR   7  16.401  -2.468  -5.005
   35   HG21  THR   7          HG21      THR   7  15.769  -5.186  -7.238
   36   HG22  THR   7          HG22      THR   7  14.712  -3.830  -7.635
   37   HG23  THR   7          HG23      THR   7  14.058  -5.248  -6.812
   38    H    ASP   8           HN       ASP   8  11.801  -2.521  -6.242
   39    HA   ASP   8           HA       ASP   8  12.926  -0.262  -7.703
   40    HB2  ASP   8           HB2      ASP   8  10.709  -2.110  -8.161
   41    HB3  ASP   8           HB1      ASP   8  10.277  -0.415  -8.368
   42    H    LEU   9           HN       LEU   9  10.538  -1.302  -5.410
   43    HA   LEU   9           HA       LEU   9   9.276   1.195  -5.044
   44    HB2  LEU   9           HB2      LEU   9   8.153  -0.717  -4.215
   45    HB3  LEU   9           HB1      LEU   9   9.555  -1.237  -3.306
   46    HG   LEU   9           HG       LEU   9   9.332   0.863  -1.944
   47   HD11  LEU   9          HD11      LEU   9   7.171   1.980  -1.936
   48   HD12  LEU   9          HD12      LEU   9   6.645   0.980  -3.292
   49   HD13  LEU   9          HD13      LEU   9   7.984   2.129  -3.503
   50   HD21  LEU   9          HD21      LEU   9   7.011  -1.034  -1.770
   51   HD22  LEU   9          HD22      LEU   9   7.728  -0.090  -0.468
   52   HD23  LEU   9          HD23      LEU   9   8.642  -1.395  -1.217
   53    H    ALA  10           HN       ALA  10  11.510  -0.638  -3.086
   54    HA   ALA  10           HA       ALA  10  12.319   1.437  -1.351
   55    HB1  ALA  10           HB1      ALA  10  13.778  -1.056  -2.200
   56    HB2  ALA  10           HB2      ALA  10  12.734  -0.854  -0.788
   57    HB3  ALA  10           HB3      ALA  10  14.277   0.001  -0.879
   58    H    ALA  11           HN       ALA  11  12.764   1.256  -4.624
   59    HA   ALA  11           HA       ALA  11  15.335   2.562  -4.735
   60    HB1  ALA  11           HB1      ALA  11  14.765   1.183  -6.595
   61    HB2  ALA  11           HB2      ALA  11  14.741   2.860  -7.144
   62    HB3  ALA  11           HB3      ALA  11  13.225   2.017  -6.805
   63    H    ARG  12           HN       ARG  12  11.860   3.412  -5.023
   64    HA   ARG  12           HA       ARG  12  12.173   6.184  -5.337
   65    HB2  ARG  12           HB2      ARG  12  10.081   4.396  -4.174
   66    HB3  ARG  12           HB1      ARG  12   9.917   6.125  -3.984
   67    HG2  ARG  12           HG2      ARG  12   8.636   5.708  -5.821
   68    HG3  ARG  12           HG1      ARG  12  10.178   6.137  -6.555
   69    HD2  ARG  12           HD2      ARG  12   9.824   3.306  -5.921
   70    HD3  ARG  12           HD1      ARG  12   8.742   3.932  -7.166
   71    HE   ARG  12           HE       ARG  12  11.546   4.585  -7.510
   72   HH11  ARG  12          HH11      ARG  12   8.961   2.349  -8.260
   73   HH12  ARG  12          HH12      ARG  12   9.706   1.777  -9.715
   74   HH21  ARG  12          HH21      ARG  12  12.533   3.839  -9.422
   75   HH22  ARG  12          HH22      ARG  12  11.740   2.628 -10.382
   76    H    LEU  13           HN       LEU  13  12.414   4.052  -2.631
   77    HA   LEU  13           HA       LEU  13  12.028   6.092  -0.630
   78    HB2  LEU  13           HB2      LEU  13  12.507   3.155  -0.621
   79    HB3  LEU  13           HB1      LEU  13  12.701   4.063   0.859
   80    HG   LEU  13           HG       LEU  13  10.392   4.652   0.906
   81   HD11  LEU  13          HD11      LEU  13   8.854   3.781  -0.899
   82   HD12  LEU  13          HD12      LEU  13  10.314   3.657  -1.898
   83   HD13  LEU  13          HD13      LEU  13   9.812   5.221  -1.241
   84   HD21  LEU  13          HD21      LEU  13   9.302   2.485   0.965
   85   HD22  LEU  13          HD22      LEU  13  10.906   2.427   1.696
   86   HD23  LEU  13          HD23      LEU  13  10.652   1.784   0.075
   87    H    ASN  14           HN       ASN  14  14.561   3.960  -1.710
   88    HA   ASN  14           HA       ASN  14  16.675   4.857  -0.173
   89    HB2  ASN  14           HB2      ASN  14  16.294   3.566  -2.799
   90    HB3  ASN  14           HB1      ASN  14  17.897   4.264  -2.500
   91   HD21  ASN  14          HD21      ASN  14  17.035   1.488  -2.800
   92   HD22  ASN  14          HD22      ASN  14  17.497   0.669  -1.350
   93    H    GLY  15           HN       GLY  15  17.669   6.725  -0.007
   94    HA2  GLY  15           HA2      GLY  15  18.616   8.725  -0.941
   95    HA3  GLY  15           HA1      GLY  15  17.370   8.687  -2.182
   96    H    LEU  16           HN       LEU  16  15.561   7.853   0.197
   97    HA   LEU  16           HA       LEU  16  14.916  10.615   0.959
   98    HB2  LEU  16           HB2      LEU  16  13.240   8.166   0.561
   99    HB3  LEU  16           HB1      LEU  16  12.659   9.492   1.534
  100    HG   LEU  16           HG       LEU  16  13.470   9.702  -1.356
  101   HD11  LEU  16          HD11      LEU  16  11.432   8.371  -1.056
  102   HD12  LEU  16          HD12      LEU  16  11.083   9.935  -1.790
  103   HD13  LEU  16          HD13      LEU  16  10.734   9.664  -0.084
  104   HD21  LEU  16          HD21      LEU  16  12.248  11.907  -1.053
  105   HD22  LEU  16          HD22      LEU  16  13.844  11.759  -0.316
  106   HD23  LEU  16          HD23      LEU  16  12.394  11.613   0.690
  107    H    SER  17           HN       SER  17  13.967  10.950   3.031
  108    HA   SER  17           HA       SER  17  15.186   9.485   5.184
  109    HB2  SER  17           HB2      SER  17  13.102  11.679   5.169
  110    HB3  SER  17           HB1      SER  17  13.950  11.095   6.594
  111    HG   SER  17           HG       SER  17  15.628  11.808   4.546
  112    HA   PRO  18           HA       PRO  18  12.402   6.271   6.033
  113    HB2  PRO  18           HB2      PRO  18  11.914   7.591   8.677
  114    HB3  PRO  18           HB1      PRO  18  12.271   5.895   8.322
  115    HG2  PRO  18           HG2      PRO  18  14.207   7.428   9.217
  116    HG3  PRO  18           HG1      PRO  18  14.528   6.354   7.842
  117    HD2  PRO  18           HD2      PRO  18  14.056   9.302   7.862
  118    HD3  PRO  18           HD1      PRO  18  15.196   8.344   6.892
  119    H    GLN  19           HN       GLN  19  11.071   9.308   7.318
  120    HA   GLN  19           HA       GLN  19   8.348   8.516   7.076
  121    HB2  GLN  19           HB2      GLN  19   9.184  10.353   8.555
  122    HB3  GLN  19           HB1      GLN  19   9.387  11.339   7.112
  123    HG2  GLN  19           HG2      GLN  19   7.305  11.938   8.033
  124    HG3  GLN  19           HG1      GLN  19   6.979  10.928   6.621
  125   HE21  GLN  19          HE21      GLN  19   6.828  11.144  10.075
  126   HE22  GLN  19          HE22      GLN  19   5.866   9.728  10.321
  127    H    GLN  20           HN       GLN  20  10.576  10.076   4.867
  128    HA   GLN  20           HA       GLN  20   8.582  10.844   2.957
  129    HB2  GLN  20           HB2      GLN  20  11.568  10.535   2.771
  130    HB3  GLN  20           HB1      GLN  20  10.575  11.051   1.411
  131    HG2  GLN  20           HG2      GLN  20   9.728  12.896   2.934
  132    HG3  GLN  20           HG1      GLN  20  11.036  12.438   4.007
  133   HE21  GLN  20          HE21      GLN  20  10.198  13.895   0.991
  134   HE22  GLN  20          HE22      GLN  20  11.756  14.569   0.652
  135    H    GLN  21           HN       GLN  21  10.840   8.205   3.369
  136    HA   GLN  21           HA       GLN  21  10.232   6.651   1.150
  137    HB2  GLN  21           HB2      GLN  21  10.966   5.869   3.982
  138    HB3  GLN  21           HB1      GLN  21  10.946   4.737   2.638
  139    HG2  GLN  21           HG2      GLN  21  12.644   6.050   1.501
  140    HG3  GLN  21           HG1      GLN  21  12.671   7.204   2.834
  141   HE21  GLN  21          HE21      GLN  21  12.336   4.985   4.792
  142   HE22  GLN  21          HE22      GLN  21  13.890   4.244   4.908
  143    H    GLN  22           HN       GLN  22   8.616   7.013   4.232
  144    HA   GLN  22           HA       GLN  22   6.587   5.090   3.831
  145    HB2  GLN  22           HB2      GLN  22   7.163   6.109   6.007
  146    HB3  GLN  22           HB1      GLN  22   6.475   7.612   5.434
  147    HG2  GLN  22           HG2      GLN  22   4.587   5.534   5.058
  148    HG3  GLN  22           HG1      GLN  22   5.211   5.473   6.700
  149   HE21  GLN  22          HE21      GLN  22   5.001   8.439   4.889
  150   HE22  GLN  22          HE22      GLN  22   3.730   9.148   5.816
  151    H    GLN  23           HN       GLN  23   6.705   8.577   3.240
  152    HA   GLN  23           HA       GLN  23   4.176   9.088   2.359
  153    HB2  GLN  23           HB2      GLN  23   6.773  10.165   1.419
  154    HB3  GLN  23           HB1      GLN  23   5.226  10.882   0.994
  155    HG2  GLN  23           HG2      GLN  23   4.757  11.408   3.247
  156    HG3  GLN  23           HG1      GLN  23   6.110  10.460   3.824
  157   HE21  GLN  23          HE21      GLN  23   6.929  12.248   4.936
  158   HE22  GLN  23          HE22      GLN  23   7.725  13.544   4.113
  159    H    THR  24           HN       THR  24   6.852   7.849   0.406
  160    HA   THR  24           HA       THR  24   5.618   7.934  -2.099
  161    HB   THR  24           HB       THR  24   7.722   6.198  -0.872
  162    HG1  THR  24           HG1      THR  24   7.849   8.537  -1.749
  163   HG21  THR  24          HG21      THR  24   6.441   4.849  -2.556
  164   HG22  THR  24          HG22      THR  24   8.140   5.106  -2.971
  165   HG23  THR  24          HG23      THR  24   6.883   6.052  -3.771
  166    H    LEU  25           HN       LEU  25   5.516   5.423   0.403
  167    HA   LEU  25           HA       LEU  25   3.721   3.723  -1.093
  168    HB2  LEU  25           HB2      LEU  25   4.399   3.863   1.826
  169    HB3  LEU  25           HB1      LEU  25   3.443   2.595   1.091
  170    HG   LEU  25           HG       LEU  25   6.182   3.075   0.044
  171   HD11  LEU  25          HD11      LEU  25   5.588   1.562   2.580
  172   HD12  LEU  25          HD12      LEU  25   6.349   3.151   2.512
  173   HD13  LEU  25          HD13      LEU  25   7.161   1.752   1.799
  174   HD21  LEU  25          HD21      LEU  25   6.065   0.635  -0.210
  175   HD22  LEU  25          HD22      LEU  25   4.714   1.436  -1.003
  176   HD23  LEU  25          HD23      LEU  25   4.478   0.635   0.550
  177    H    ALA  26           HN       ALA  26   3.564   6.076   1.471
  178    HA   ALA  26           HA       ALA  26   0.787   5.937   1.954
  179    HB1  ALA  26           HB1      ALA  26   2.690   6.854   3.411
  180    HB2  ALA  26           HB2      ALA  26   1.167   7.756   3.410
  181    HB3  ALA  26           HB3      ALA  26   2.539   8.334   2.459
  182    H    THR  27           HN       THR  27   2.158   6.687  -0.774
  183    HA   THR  27           HA       THR  27   0.054   8.547  -1.591
  184    HB   THR  27           HB       THR  27   2.961   8.415  -2.322
  185    HG1  THR  27           HG1      THR  27   2.112   9.947  -0.781
  186   HG21  THR  27          HG21      THR  27   0.846   9.650  -4.083
  187   HG22  THR  27          HG22      THR  27   1.782   8.197  -4.449
  188   HG23  THR  27          HG23      THR  27   2.595   9.759  -4.309
  189    H    LEU  28           HN       LEU  28   2.259   5.982  -2.547
  190    HA   LEU  28           HA       LEU  28   0.996   5.227  -4.918
  191    HB2  LEU  28           HB2      LEU  28   3.175   4.544  -4.816
  192    HB3  LEU  28           HB1      LEU  28   3.050   4.107  -3.129
  193    HG   LEU  28           HG       LEU  28   1.370   2.318  -4.146
  194   HD11  LEU  28          HD11      LEU  28   3.444   2.670  -6.283
  195   HD12  LEU  28          HD12      LEU  28   1.725   3.029  -6.436
  196   HD13  LEU  28          HD13      LEU  28   2.259   1.364  -6.185
  197   HD21  LEU  28          HD21      LEU  28   3.356   0.742  -4.134
  198   HD22  LEU  28          HD22      LEU  28   3.000   1.650  -2.657
  199   HD23  LEU  28          HD23      LEU  28   4.320   2.166  -3.718
  200    H    VAL  29           HN       VAL  29   0.869   4.005  -1.655
  201    HA   VAL  29           HA       VAL  29  -0.763   1.767  -2.193
  202    HB   VAL  29           HB       VAL  29  -0.216   3.325   0.328
  203   HG11  VAL  29          HG11      VAL  29  -1.343   1.604   1.592
  204   HG12  VAL  29          HG12      VAL  29  -1.722   0.714   0.116
  205   HG13  VAL  29          HG13      VAL  29  -2.472   2.282   0.417
  206   HG21  VAL  29          HG21      VAL  29   1.606   2.006  -0.719
  207   HG22  VAL  29          HG22      VAL  29   0.622   0.553  -0.516
  208   HG23  VAL  29          HG23      VAL  29   1.172   1.451   0.899
  209    H    ALA  30           HN       ALA  30  -1.359   5.082  -1.443
  210    HA   ALA  30           HA       ALA  30  -4.199   4.821  -1.241
  211    HB1  ALA  30           HB1      ALA  30  -2.320   7.134  -1.451
  212    HB2  ALA  30           HB2      ALA  30  -3.196   6.571  -0.027
  213    HB3  ALA  30           HB3      ALA  30  -4.066   7.322  -1.365
  214    H    ALA  31           HN       ALA  31  -1.850   5.616  -3.655
  215    HA   ALA  31           HA       ALA  31  -3.554   6.384  -5.750
  216    HB1  ALA  31           HB1      ALA  31  -1.626   5.654  -7.188
  217    HB2  ALA  31           HB2      ALA  31  -0.851   5.031  -5.723
  218    HB3  ALA  31           HB3      ALA  31  -1.178   6.753  -5.882
  219    H    ALA  32           HN       ALA  32  -2.262   3.333  -4.668
  220    HA   ALA  32           HA       ALA  32  -3.539   1.548  -6.351
  221    HB1  ALA  32           HB1      ALA  32  -3.352   0.022  -4.322
  222    HB2  ALA  32           HB2      ALA  32  -2.676   1.425  -3.478
  223    HB3  ALA  32           HB3      ALA  32  -1.862   0.769  -4.898
  224    H    THR  33           HN       THR  33  -4.693   2.927  -3.243
  225    HA   THR  33           HA       THR  33  -7.207   1.534  -3.491
  226    HB   THR  33           HB       THR  33  -6.593   3.815  -1.609
  227    HG1  THR  33           HG1      THR  33  -5.015   2.089  -1.458
  228   HG21  THR  33          HG21      THR  33  -8.894   3.330  -1.545
  229   HG22  THR  33          HG22      THR  33  -8.216   2.429  -0.185
  230   HG23  THR  33          HG23      THR  33  -8.619   1.594  -1.691
  231    H    ALA  34           HN       ALA  34  -5.936   4.577  -4.516
  232    HA   ALA  34           HA       ALA  34  -8.381   5.878  -5.024
  233    HB1  ALA  34           HB1      ALA  34  -7.095   7.257  -6.600
  234    HB2  ALA  34           HB2      ALA  34  -5.748   6.120  -6.499
  235    HB3  ALA  34           HB3      ALA  34  -6.223   7.050  -5.077
  236    H    THR  35           HN       THR  35  -6.466   3.510  -6.697
  237    HA   THR  35           HA       THR  35  -7.877   3.481  -9.147
  238    HB   THR  35           HB       THR  35  -5.793   1.874  -7.800
  239    HG1  THR  35           HG1      THR  35  -4.862   3.108  -9.247
  240   HG21  THR  35          HG21      THR  35  -5.950   0.001  -9.278
  241   HG22  THR  35          HG22      THR  35  -7.328   0.718 -10.113
  242   HG23  THR  35          HG23      THR  35  -7.489   0.199  -8.429
  243    H    VAL  36           HN       VAL  36  -7.951   1.399  -6.260
  244    HA   VAL  36           HA       VAL  36  -9.617  -0.588  -7.214
  245    HB   VAL  36           HB       VAL  36 -10.187  -1.018  -4.820
  246   HG11  VAL  36          HG11      VAL  36  -8.374  -2.224  -5.489
  247   HG12  VAL  36          HG12      VAL  36  -7.739  -1.324  -4.113
  248   HG13  VAL  36          HG13      VAL  36  -7.386  -0.785  -5.758
  249   HG21  VAL  36          HG21      VAL  36 -10.256   0.946  -3.708
  250   HG22  VAL  36          HG22      VAL  36  -8.795   1.552  -4.483
  251   HG23  VAL  36          HG23      VAL  36  -8.681   0.318  -3.228
  252    H    LEU  37           HN       LEU  37 -10.468   2.507  -5.813
  253    HA   LEU  37           HA       LEU  37 -13.267   1.786  -5.632
  254    HB2  LEU  37           HB2      LEU  37 -12.031   4.487  -5.192
  255    HB3  LEU  37           HB1      LEU  37 -13.570   3.906  -4.590
  256    HG   LEU  37           HG       LEU  37 -10.893   2.791  -3.775
  257   HD11  LEU  37          HD11      LEU  37 -11.119   5.086  -3.066
  258   HD12  LEU  37          HD12      LEU  37 -11.232   3.993  -1.689
  259   HD13  LEU  37          HD13      LEU  37 -12.691   4.733  -2.350
  260   HD21  LEU  37          HD21      LEU  37 -12.743   1.204  -3.589
  261   HD22  LEU  37          HD22      LEU  37 -13.655   2.378  -2.643
  262   HD23  LEU  37          HD23      LEU  37 -12.162   1.694  -1.998
  263    H    GLY  38           HN       GLY  38 -11.260   3.927  -7.620
  264    HA2  GLY  38           HA2      GLY  38 -12.055   3.758 -10.036
  265    HA3  GLY  38           HA1      GLY  38 -13.593   4.304  -9.386
  266    H    HIS  39           HN       HIS  39 -10.467   5.439  -8.309
  267    HA   HIS  39           HA       HIS  39 -10.911   8.010  -9.666
  268    HB2  HIS  39           HB2      HIS  39 -10.214   7.554  -6.757
  269    HB3  HIS  39           HB1      HIS  39  -9.939   9.091  -7.565
  270    HD1  HIS  39           HD1      HIS  39 -11.889  10.674  -7.685
  271    HD2  HIS  39           HD2      HIS  39 -13.003   6.827  -6.558
  272    HE1  HIS  39           HE1      HIS  39 -14.320  10.827  -7.059
  273    HE2  HIS  39           HE2      HIS  39 -14.933   8.518  -6.254
  274    H    HIS  40           HN       HIS  40  -8.696   9.346  -9.109
  275    HA   HIS  40           HA       HIS  40  -6.449   7.481  -9.375
  276    HB2  HIS  40           HB2      HIS  40  -7.184   8.429 -11.622
  277    HB3  HIS  40           HB1      HIS  40  -6.655   9.999 -11.028
  278    HD1  HIS  40           HD1      HIS  40  -4.359  10.567 -11.745
  279    HD2  HIS  40           HD2      HIS  40  -4.875   6.462 -11.336
  280    HE1  HIS  40           HE1      HIS  40  -2.156   9.541 -12.394
  281    HE2  HIS  40           HE2      HIS  40  -2.457   7.063 -12.027
  282    H    THR  41           HN       THR  41  -7.810   9.748  -7.545
  283    HA   THR  41           HA       THR  41  -5.349  11.177  -6.920
  284    HB   THR  41           HB       THR  41  -6.825  12.293  -5.190
  285    HG1  THR  41           HG1      THR  41  -8.550  10.680  -5.483
  286   HG21  THR  41          HG21      THR  41  -7.335  12.705  -8.128
  287   HG22  THR  41          HG22      THR  41  -6.054  13.438  -7.155
  288   HG23  THR  41          HG23      THR  41  -7.744  13.856  -6.853
  289    HA   PRO  42           HA       PRO  42  -4.696   8.390  -3.435
  290    HB2  PRO  42           HB2      PRO  42  -2.141   9.788  -3.305
  291    HB3  PRO  42           HB1      PRO  42  -2.452   8.083  -3.635
  292    HG2  PRO  42           HG2      PRO  42  -1.521   9.790  -5.523
  293    HG3  PRO  42           HG1      PRO  42  -2.561   8.403  -5.905
  294    HD2  PRO  42           HD2      PRO  42  -3.304  11.301  -5.633
  295    HD3  PRO  42           HD1      PRO  42  -3.838  10.105  -6.833
  296    H    GLU  43           HN       GLU  43  -4.589  11.776  -3.892
  297    HA   GLU  43           HA       GLU  43  -4.066  12.647  -1.263
  298    HB2  GLU  43           HB2      GLU  43  -5.630  14.016  -3.441
  299    HB3  GLU  43           HB1      GLU  43  -4.895  14.797  -2.045
  300    HG2  GLU  43           HG2      GLU  43  -2.713  14.281  -2.843
  301    HG3  GLU  43           HG1      GLU  43  -3.392  13.263  -4.109
  302    H    SER  44           HN       SER  44  -7.030  12.166  -3.108
  303    HA   SER  44           HA       SER  44  -8.862  12.836  -1.092
  304    HB2  SER  44           HB2      SER  44  -9.355  12.715  -3.541
  305    HB3  SER  44           HB1      SER  44  -9.265  10.965  -3.410
  306    HG   SER  44           HG       SER  44 -10.919  11.902  -1.526
  307    H    ILE  45           HN       ILE  45  -7.022  10.009  -1.736
  308    HA   ILE  45           HA       ILE  45  -8.599   8.204  -0.149
  309    HB   ILE  45           HB       ILE  45  -5.757   7.921  -1.110
  310   HG12  ILE  45          HG12      ILE  45  -7.227   8.266  -2.998
  311   HG13  ILE  45          HG11      ILE  45  -6.726   6.583  -2.942
  312   HG21  ILE  45          HG21      ILE  45  -7.688   5.748  -0.336
  313   HG22  ILE  45          HG22      ILE  45  -6.467   6.409   0.754
  314   HG23  ILE  45          HG23      ILE  45  -5.973   5.580  -0.726
  315   HD11  ILE  45          HD11      ILE  45  -8.871   5.948  -2.019
  316   HD12  ILE  45          HD12      ILE  45  -9.071   6.832  -3.533
  317   HD13  ILE  45          HD13      ILE  45  -9.375   7.640  -1.996
  318    H    SER  46           HN       SER  46  -8.741   9.366   1.827
  319    HA   SER  46           HA       SER  46  -6.542  10.314   3.283
  320    HB2  SER  46           HB2      SER  46  -8.996   9.274   4.631
  321    HB3  SER  46           HB1      SER  46  -8.046  10.703   5.010
  322    HG   SER  46           HG       SER  46 -10.241  10.713   3.702
  323    HA   PRO  47           HA       PRO  47  -4.780   6.542   4.539
  324    HB2  PRO  47           HB2      PRO  47  -2.918   7.446   6.178
  325    HB3  PRO  47           HB1      PRO  47  -2.971   8.042   4.521
  326    HG2  PRO  47           HG2      PRO  47  -3.856   9.364   7.036
  327    HG3  PRO  47           HG1      PRO  47  -3.102  10.073   5.605
  328    HD2  PRO  47           HD2      PRO  47  -5.867   9.984   6.218
  329    HD3  PRO  47           HD1      PRO  47  -5.135  10.499   4.676
  330    H    ALA  48           HN       ALA  48  -6.752   8.213   6.599
  331    HA   ALA  48           HA       ALA  48  -6.335   6.293   8.751
  332    HB1  ALA  48           HB1      ALA  48  -5.364   8.549   9.142
  333    HB2  ALA  48           HB2      ALA  48  -6.522   8.009  10.367
  334    HB3  ALA  48           HB3      ALA  48  -7.011   9.182   9.144
  335    H    THR  49           HN       THR  49  -8.377   7.262   6.449
  336    HA   THR  49           HA       THR  49 -10.889   7.361   7.726
  337    HB   THR  49           HB       THR  49  -9.971   6.769   4.929
  338    HG1  THR  49           HG1      THR  49 -11.451   8.907   6.099
  339   HG21  THR  49          HG21      THR  49 -12.827   6.850   5.874
  340   HG22  THR  49          HG22      THR  49 -11.948   5.425   5.314
  341   HG23  THR  49          HG23      THR  49 -12.290   6.750   4.196
  342    H    ALA  50           HN       ALA  50  -9.010   4.851   6.234
  343    HA   ALA  50           HA       ALA  50  -8.813   2.608   6.829
  344    HB1  ALA  50           HB1      ALA  50 -10.271   2.702   8.771
  345    HB2  ALA  50           HB2      ALA  50 -10.673   1.320   7.749
  346    HB3  ALA  50           HB3      ALA  50 -11.688   2.765   7.720
  347    H    PHE  51           HN       PHE  51  -8.857   1.132   5.398
  348    HA   PHE  51           HA       PHE  51  -9.796   1.478   2.828
  349    HB2  PHE  51           HB2      PHE  51  -9.141  -1.013   4.373
  350    HB3  PHE  51           HB1      PHE  51  -9.490  -1.030   2.646
  351    HD1  PHE  51           HD1      PHE  51  -8.182   1.249   1.599
  352    HD2  PHE  51           HD2      PHE  51  -6.928  -1.345   4.708
  353    HE1  PHE  51           HE1      PHE  51  -5.846   1.805   1.101
  354    HE2  PHE  51           HE2      PHE  51  -4.586  -0.806   4.229
  355    HZ   PHE  51           HZ       PHE  51  -4.036   0.773   2.410
  356    H    LYS  52           HN       LYS  52 -11.249  -0.402   5.444
  357    HA   LYS  52           HA       LYS  52 -13.497  -1.363   4.194
  358    HB2  LYS  52           HB2      LYS  52 -13.209  -0.244   6.987
  359    HB3  LYS  52           HB1      LYS  52 -14.564  -1.223   6.443
  360    HG2  LYS  52           HG2      LYS  52 -12.880  -3.026   5.914
  361    HG3  LYS  52           HG1      LYS  52 -11.683  -2.028   6.735
  362    HD2  LYS  52           HD2      LYS  52 -14.210  -3.126   7.946
  363    HD3  LYS  52           HD1      LYS  52 -12.585  -3.749   8.224
  364    HE2  LYS  52           HE2      LYS  52 -11.964  -1.556   9.176
  365    HE3  LYS  52           HE1      LYS  52 -13.629  -1.026   8.946
  366    HZ1  LYS  52           HZ1      LYS  52 -12.753  -3.267  10.682
  367    HZ2  LYS  52           HZ2      LYS  52 -14.355  -2.779  10.449
  368    HZ3  LYS  52           HZ3      LYS  52 -13.259  -1.741  11.210
  369    H    ASP  53           HN       ASP  53 -12.874   1.764   5.630
  370    HA   ASP  53           HA       ASP  53 -15.546   2.716   5.180
  371    HB2  ASP  53           HB2      ASP  53 -13.054   4.002   6.308
  372    HB3  ASP  53           HB1      ASP  53 -14.556   4.900   6.055
  373    H    LEU  54           HN       LEU  54 -12.888   2.349   3.295
  374    HA   LEU  54           HA       LEU  54 -13.282   4.730   1.665
  375    HB2  LEU  54           HB2      LEU  54 -11.237   2.554   1.776
  376    HB3  LEU  54           HB1      LEU  54 -11.364   3.537   0.337
  377    HG   LEU  54           HG       LEU  54 -10.977   4.716   3.086
  378   HD11  LEU  54          HD11      LEU  54  -8.898   3.863   1.090
  379   HD12  LEU  54          HD12      LEU  54  -9.108   3.269   2.739
  380   HD13  LEU  54          HD13      LEU  54  -8.593   4.932   2.457
  381   HD21  LEU  54          HD21      LEU  54 -11.797   6.244   1.407
  382   HD22  LEU  54          HD22      LEU  54 -10.515   5.750   0.302
  383   HD23  LEU  54          HD23      LEU  54 -10.113   6.613   1.786
  384    H    GLY  55           HN       GLY  55 -14.062   1.366   1.746
  385    HA2  GLY  55           HA2      GLY  55 -15.973   0.825   0.228
  386    HA3  GLY  55           HA1      GLY  55 -15.004   1.543  -1.053
  387    H    ILE  56           HN       ILE  56 -12.857   0.132   0.894
  388    HA   ILE  56           HA       ILE  56 -12.278  -2.015  -0.835
  389    HB   ILE  56           HB       ILE  56 -11.353  -1.398   1.963
  390   HG12  ILE  56          HG12      ILE  56 -10.272   0.155   0.700
  391   HG13  ILE  56          HG11      ILE  56  -9.138  -1.170   0.602
  392   HG21  ILE  56          HG21      ILE  56  -9.513  -3.067   1.314
  393   HG22  ILE  56          HG22      ILE  56 -10.740  -3.702   0.218
  394   HG23  ILE  56          HG23      ILE  56 -11.054  -3.634   1.954
  395   HD11  ILE  56          HD11      ILE  56 -11.125  -0.355  -1.491
  396   HD12  ILE  56          HD12      ILE  56 -10.105  -1.799  -1.577
  397   HD13  ILE  56          HD13      ILE  56  -9.372  -0.197  -1.551
  398    H    ASP  57           HN       ASP  57 -13.841  -3.597  -1.038
  399    HA   ASP  57           HA       ASP  57 -14.182  -5.221   1.394
  400    HB2  ASP  57           HB2      ASP  57 -16.313  -4.087   0.855
  401    HB3  ASP  57           HB1      ASP  57 -16.279  -4.817  -0.746
  402    H    SER  58           HN       SER  58 -12.773  -6.802   1.009
  403    HA   SER  58           HA       SER  58 -11.802  -8.639   0.151
  404    HB2  SER  58           HB2      SER  58 -13.336 -10.177  -1.219
  405    HB3  SER  58           HB1      SER  58 -13.798  -9.815   0.445
  406    HG   SER  58           HG       SER  58 -15.203  -8.167  -0.480
  407    H    LEU  59           HN       LEU  59 -13.791  -7.885  -2.693
  408    HA   LEU  59           HA       LEU  59 -11.944  -8.738  -4.581
  409    HB2  LEU  59           HB2      LEU  59 -14.077  -6.630  -4.786
  410    HB3  LEU  59           HB1      LEU  59 -13.150  -7.196  -6.150
  411    HG   LEU  59           HG       LEU  59 -14.065  -9.465  -5.831
  412   HD11  LEU  59          HD11      LEU  59 -14.503  -9.381  -3.450
  413   HD12  LEU  59          HD12      LEU  59 -15.959  -9.816  -4.350
  414   HD13  LEU  59          HD13      LEU  59 -15.769  -8.182  -3.713
  415   HD21  LEU  59          HD21      LEU  59 -16.368  -8.884  -6.549
  416   HD22  LEU  59          HD22      LEU  59 -15.112  -7.980  -7.395
  417   HD23  LEU  59          HD23      LEU  59 -16.032  -7.209  -6.103
  418    H    THR  60           HN       THR  60 -12.609  -5.447  -3.463
  419    HA   THR  60           HA       THR  60 -10.461  -4.394  -5.063
  420    HB   THR  60           HB       THR  60 -11.019  -2.268  -3.663
  421    HG1  THR  60           HG1      THR  60 -13.595  -3.232  -3.458
  422   HG21  THR  60          HG21      THR  60 -12.963  -3.443  -5.653
  423   HG22  THR  60          HG22      THR  60 -11.460  -2.602  -6.051
  424   HG23  THR  60          HG23      THR  60 -12.780  -1.731  -5.262
  425    H    ALA  61           HN       ALA  61 -10.805  -5.747  -1.988
  426    HA   ALA  61           HA       ALA  61  -8.465  -4.519  -0.844
  427    HB1  ALA  61           HB1      ALA  61 -10.275  -5.537   0.534
  428    HB2  ALA  61           HB2      ALA  61  -8.656  -6.128   0.922
  429    HB3  ALA  61           HB3      ALA  61  -9.757  -7.127  -0.034
  430    H    LEU  62           HN       LEU  62  -9.222  -7.444  -2.672
  431    HA   LEU  62           HA       LEU  62  -6.559  -8.439  -2.687
  432    HB2  LEU  62           HB2      LEU  62  -8.877  -9.570  -3.278
  433    HB3  LEU  62           HB1      LEU  62  -8.486  -8.973  -4.869
  434    HG   LEU  62           HG       LEU  62  -7.482 -10.934  -5.189
  435   HD11  LEU  62          HD11      LEU  62  -5.180 -11.099  -4.533
  436   HD12  LEU  62          HD12      LEU  62  -5.419  -9.925  -3.240
  437   HD13  LEU  62          HD13      LEU  62  -5.555  -9.419  -4.924
  438   HD21  LEU  62          HD21      LEU  62  -7.416 -11.215  -2.201
  439   HD22  LEU  62          HD22      LEU  62  -6.856 -12.453  -3.324
  440   HD23  LEU  62          HD23      LEU  62  -8.550 -11.960  -3.323
  441    H    GLU  63           HN       GLU  63  -8.537  -6.495  -4.986
  442    HA   GLU  63           HA       GLU  63  -6.540  -6.233  -6.920
  443    HB2  GLU  63           HB2      GLU  63  -8.684  -5.735  -7.631
  444    HB3  GLU  63           HB1      GLU  63  -9.098  -4.912  -6.138
  445    HG2  GLU  63           HG2      GLU  63  -9.050  -3.268  -7.778
  446    HG3  GLU  63           HG1      GLU  63  -7.568  -3.111  -6.837
  447    H    LEU  64           HN       LEU  64  -7.336  -4.403  -3.984
  448    HA   LEU  64           HA       LEU  64  -5.423  -2.377  -4.163
  449    HB2  LEU  64           HB2      LEU  64  -7.149  -3.329  -2.188
  450    HB3  LEU  64           HB1      LEU  64  -5.544  -3.630  -1.538
  451    HG   LEU  64           HG       LEU  64  -6.644  -0.964  -2.390
  452   HD11  LEU  64          HD11      LEU  64  -7.548  -1.759  -0.285
  453   HD12  LEU  64          HD12      LEU  64  -6.413  -0.434  -0.005
  454   HD13  LEU  64          HD13      LEU  64  -5.921  -2.101   0.303
  455   HD21  LEU  64          HD21      LEU  64  -3.952  -1.675  -1.242
  456   HD22  LEU  64          HD22      LEU  64  -4.532  -0.046  -1.596
  457   HD23  LEU  64          HD23      LEU  64  -4.254  -1.194  -2.911
  458    H    ARG  65           HN       ARG  65  -5.305  -5.636  -3.086
  459    HA   ARG  65           HA       ARG  65  -2.644  -5.703  -2.159
  460    HB2  ARG  65           HB2      ARG  65  -4.238  -7.357  -1.403
  461    HB3  ARG  65           HB1      ARG  65  -4.520  -7.916  -3.050
  462    HG2  ARG  65           HG2      ARG  65  -1.786  -8.113  -1.829
  463    HG3  ARG  65           HG1      ARG  65  -3.027  -9.303  -1.436
  464    HD2  ARG  65           HD2      ARG  65  -3.279  -9.841  -3.799
  465    HD3  ARG  65           HD1      ARG  65  -2.085  -8.616  -4.220
  466    HE   ARG  65           HE       ARG  65  -0.990 -10.479  -2.390
  467   HH11  ARG  65          HH11      ARG  65  -1.911 -10.147  -5.760
  468   HH12  ARG  65          HH12      ARG  65  -0.767 -11.323  -6.316
  469   HH21  ARG  65          HH21      ARG  65   0.508 -12.025  -3.118
  470   HH22  ARG  65          HH22      ARG  65   0.613 -12.398  -4.808
  471    H    ASN  66           HN       ASN  66  -4.156  -6.730  -5.133
  472    HA   ASN  66           HA       ASN  66  -1.960  -7.715  -6.484
  473    HB2  ASN  66           HB2      ASN  66  -4.549  -6.482  -7.372
  474    HB3  ASN  66           HB1      ASN  66  -3.379  -7.053  -8.548
  475   HD21  ASN  66          HD21      ASN  66  -6.043  -8.039  -8.047
  476   HD22  ASN  66          HD22      ASN  66  -5.884  -9.700  -7.599
  477    H    THR  67           HN       THR  67  -3.074  -4.365  -6.173
  478    HA   THR  67           HA       THR  67  -1.002  -3.402  -7.919
  479    HB   THR  67           HB       THR  67  -2.748  -1.884  -5.997
  480    HG1  THR  67           HG1      THR  67  -4.037  -2.776  -7.586
  481   HG21  THR  67          HG21      THR  67  -2.118   0.092  -7.320
  482   HG22  THR  67          HG22      THR  67  -1.015  -0.907  -8.267
  483   HG23  THR  67          HG23      THR  67  -0.715  -0.649  -6.547
  484    H    LEU  68           HN       LEU  68  -1.591  -3.258  -4.401
  485    HA   LEU  68           HA       LEU  68   0.708  -1.853  -3.748
  486    HB2  LEU  68           HB2      LEU  68   0.329  -2.440  -1.490
  487    HB3  LEU  68           HB1      LEU  68  -1.244  -2.328  -2.229
  488    HG   LEU  68           HG       LEU  68  -0.943  -4.943  -2.448
  489   HD11  LEU  68          HD11      LEU  68   0.734  -4.295  -0.028
  490   HD12  LEU  68          HD12      LEU  68   1.340  -4.972  -1.539
  491   HD13  LEU  68          HD13      LEU  68   0.218  -5.900  -0.543
  492   HD21  LEU  68          HD21      LEU  68  -1.657  -3.522   0.108
  493   HD22  LEU  68          HD22      LEU  68  -2.118  -5.172  -0.307
  494   HD23  LEU  68          HD23      LEU  68  -2.738  -3.818  -1.254
  495    H    THR  69           HN       THR  69   0.236  -5.392  -3.770
  496    HA   THR  69           HA       THR  69   2.770  -6.179  -3.094
  497    HB   THR  69           HB       THR  69   0.478  -7.310  -4.596
  498    HG1  THR  69           HG1      THR  69   2.067  -8.411  -2.512
  499   HG21  THR  69          HG21      THR  69   2.317  -7.977  -6.027
  500   HG22  THR  69          HG22      THR  69   1.656  -9.370  -5.160
  501   HG23  THR  69          HG23      THR  69   3.177  -8.646  -4.636
  502    H    HIS  70           HN       HIS  70   1.488  -5.234  -6.217
  503    HA   HIS  70           HA       HIS  70   3.698  -6.159  -7.728
  504    HB2  HIS  70           HB2      HIS  70   1.480  -5.849  -8.718
  505    HB3  HIS  70           HB1      HIS  70   1.549  -4.139  -8.372
  506    HD1  HIS  70           HD1      HIS  70   2.337  -6.601 -10.946
  507    HD2  HIS  70           HD2      HIS  70   3.522  -2.733  -9.998
  508    HE1  HIS  70           HE1      HIS  70   3.381  -5.682 -13.040
  509    HE2  HIS  70           HE2      HIS  70   4.162  -3.367 -12.423
  510    H    ASN  71           HN       ASN  71   2.922  -3.105  -6.200
  511    HA   ASN  71           HA       ASN  71   5.186  -1.800  -7.434
  512    HB2  ASN  71           HB2      ASN  71   3.091  -0.848  -5.526
  513    HB3  ASN  71           HB1      ASN  71   4.453   0.150  -6.027
  514   HD21  ASN  71          HD21      ASN  71   1.534  -1.404  -7.008
  515   HD22  ASN  71          HD22      ASN  71   1.337  -0.552  -8.496
  516    H    THR  72           HN       THR  72   4.679  -3.628  -4.609
  517    HA   THR  72           HA       THR  72   7.023  -2.392  -3.336
  518    HB   THR  72           HB       THR  72   6.133  -3.219  -1.203
  519    HG1  THR  72           HG1      THR  72   3.716  -3.869  -2.521
  520   HG21  THR  72          HG21      THR  72   3.795  -1.840  -2.420
  521   HG22  THR  72          HG22      THR  72   5.352  -1.022  -2.526
  522   HG23  THR  72          HG23      THR  72   4.690  -1.452  -0.948
  523    H    GLY  73           HN       GLY  73   5.762  -5.232  -4.749
  524    HA2  GLY  73           HA2      GLY  73   7.105  -6.977  -5.492
  525    HA3  GLY  73           HA1      GLY  73   8.407  -6.346  -4.507
  526    H    LEU  74           HN       LEU  74   5.580  -6.598  -2.761
  527    HA   LEU  74           HA       LEU  74   6.709  -8.845  -1.311
  528    HB2  LEU  74           HB2      LEU  74   5.591  -6.444  -0.539
  529    HB3  LEU  74           HB1      LEU  74   4.316  -7.600  -0.211
  530    HG   LEU  74           HG       LEU  74   5.927  -8.940   1.111
  531   HD11  LEU  74          HD11      LEU  74   7.977  -8.351   0.103
  532   HD12  LEU  74          HD12      LEU  74   8.043  -7.723   1.755
  533   HD13  LEU  74          HD13      LEU  74   7.714  -6.634   0.401
  534   HD21  LEU  74          HD21      LEU  74   5.918  -7.504   3.031
  535   HD22  LEU  74          HD22      LEU  74   4.421  -7.251   2.133
  536   HD23  LEU  74          HD23      LEU  74   5.731  -6.075   2.016
  537    H    ASP  75           HN       ASP  75   6.078 -10.735  -1.637
  538    HA   ASP  75           HA       ASP  75   3.634 -11.241  -3.130
  539    HB2  ASP  75           HB2      ASP  75   5.853 -12.174  -3.791
  540    HB3  ASP  75           HB1      ASP  75   5.820 -13.121  -2.315
  541    H    LEU  76           HN       LEU  76   2.529 -10.564  -1.068
  542    HA   LEU  76           HA       LEU  76   2.050 -12.932   0.611
  543    HB2  LEU  76           HB2      LEU  76   1.699  -9.999   1.159
  544    HB3  LEU  76           HB1      LEU  76   0.826 -11.195   2.091
  545    HG   LEU  76           HG       LEU  76   2.731 -10.554   3.357
  546   HD11  LEU  76          HD11      LEU  76   3.906 -12.643   3.646
  547   HD12  LEU  76          HD12      LEU  76   3.358 -13.204   2.069
  548   HD13  LEU  76          HD13      LEU  76   2.193 -12.949   3.368
  549   HD21  LEU  76          HD21      LEU  76   5.009 -10.691   2.533
  550   HD22  LEU  76          HD22      LEU  76   4.050  -9.590   1.544
  551   HD23  LEU  76          HD23      LEU  76   4.423 -11.210   0.953
  552    HA   PRO  77           HA       PRO  77  -2.020 -13.323  -1.147
  553    HB2  PRO  77           HB2      PRO  77  -3.252 -14.525   0.982
  554    HB3  PRO  77           HB1      PRO  77  -2.166 -15.375  -0.121
  555    HG2  PRO  77           HG2      PRO  77  -1.612 -14.234   2.584
  556    HG3  PRO  77           HG1      PRO  77  -1.090 -15.781   1.892
  557    HD2  PRO  77           HD2      PRO  77   0.543 -13.640   2.035
  558    HD3  PRO  77           HD1      PRO  77   0.629 -14.811   0.705
  559    HA   PRO  78           HA       PRO  78  -4.923 -10.203   0.358
  560    HB2  PRO  78           HB2      PRO  78  -7.096 -11.715   1.238
  561    HB3  PRO  78           HB1      PRO  78  -6.838 -11.135  -0.406
  562    HG2  PRO  78           HG2      PRO  78  -6.245 -13.810   0.777
  563    HG3  PRO  78           HG1      PRO  78  -6.887 -13.407  -0.826
  564    HD2  PRO  78           HD2      PRO  78  -4.343 -14.112  -0.531
  565    HD3  PRO  78           HD1      PRO  78  -4.792 -12.807  -1.648
  566    H    THR  79           HN       THR  79  -6.878 -10.354   2.397
  567    HA   THR  79           HA       THR  79  -7.141  -9.821   4.514
  568    HB   THR  79           HB       THR  79  -6.261 -11.267   6.268
  569    HG1  THR  79           HG1      THR  79  -4.424 -11.927   4.350
  570   HG21  THR  79          HG21      THR  79  -7.286 -13.366   5.487
  571   HG22  THR  79          HG22      THR  79  -7.282 -12.733   3.840
  572   HG23  THR  79          HG23      THR  79  -8.255 -11.947   5.084
  573    H    LEU  80           HN       LEU  80  -4.613  -8.830   2.974
  574    HA   LEU  80           HA       LEU  80  -2.944  -7.860   5.083
  575    HB2  LEU  80           HB2      LEU  80  -3.299  -6.869   2.249
  576    HB3  LEU  80           HB1      LEU  80  -2.043  -6.335   3.348
  577    HG   LEU  80           HG       LEU  80  -2.357  -9.148   2.293
  578   HD11  LEU  80          HD11      LEU  80  -0.344  -8.658   1.005
  579   HD12  LEU  80          HD12      LEU  80  -0.356  -6.999   1.605
  580   HD13  LEU  80          HD13      LEU  80  -1.661  -7.571   0.565
  581   HD21  LEU  80          HD21      LEU  80  -0.206  -7.895   3.998
  582   HD22  LEU  80          HD22      LEU  80  -0.147  -9.514   3.300
  583   HD23  LEU  80          HD23      LEU  80  -1.366  -9.119   4.511
  584    H    ILE  81           HN       ILE  81  -5.748  -6.698   3.351
  585    HA   ILE  81           HA       ILE  81  -5.782  -4.076   4.463
  586    HB   ILE  81           HB       ILE  81  -8.147  -5.653   3.418
  587   HG12  ILE  81          HG12      ILE  81  -6.561  -5.642   1.661
  588   HG13  ILE  81          HG11      ILE  81  -7.667  -4.329   1.322
  589   HG21  ILE  81          HG21      ILE  81  -8.591  -3.508   4.672
  590   HG22  ILE  81          HG22      ILE  81  -9.196  -3.579   3.014
  591   HG23  ILE  81          HG23      ILE  81  -7.717  -2.686   3.371
  592   HD11  ILE  81          HD11      ILE  81  -6.102  -2.732   2.129
  593   HD12  ILE  81          HD12      ILE  81  -5.306  -3.773   0.944
  594   HD13  ILE  81          HD13      ILE  81  -5.011  -4.008   2.669
  595    H    PHE  82           HN       PHE  82  -7.137  -7.149   5.397
  596    HA   PHE  82           HA       PHE  82  -8.676  -6.174   7.553
  597    HB2  PHE  82           HB2      PHE  82  -7.649  -8.928   6.869
  598    HB3  PHE  82           HB1      PHE  82  -8.789  -8.593   8.165
  599    HD1  PHE  82           HD1      PHE  82 -11.054  -8.538   7.743
  600    HD2  PHE  82           HD2      PHE  82  -8.330  -8.145   4.491
  601    HE1  PHE  82           HE1      PHE  82 -12.929  -8.631   6.162
  602    HE2  PHE  82           HE2      PHE  82 -10.209  -8.244   2.908
  603    HZ   PHE  82           HZ       PHE  82 -12.510  -8.484   3.741
  604    H    ASP  83           HN       ASP  83  -5.353  -7.192   7.222
  605    HA   ASP  83           HA       ASP  83  -4.890  -7.117  10.087
  606    HB2  ASP  83           HB2      ASP  83  -3.668  -8.723   8.627
  607    HB3  ASP  83           HB1      ASP  83  -2.889  -7.364   7.833
  608    H    HIS  84           HN       HIS  84  -4.494  -5.109   7.282
  609    HA   HIS  84           HA       HIS  84  -3.606  -2.888   9.000
  610    HB2  HIS  84           HB2      HIS  84  -2.569  -3.669   6.279
  611    HB3  HIS  84           HB1      HIS  84  -2.322  -2.070   6.951
  612    HD1  HIS  84           HD1      HIS  84  -0.542  -1.840   8.813
  613    HD2  HIS  84           HD2      HIS  84  -1.131  -5.747   7.518
  614    HE1  HIS  84           HE1      HIS  84   1.360  -3.159   9.773
  615    HE2  HIS  84           HE2      HIS  84   0.876  -5.549   9.140
  616    HA   PRO  85           HA       PRO  85  -7.462  -2.112   6.800
  617    HB2  PRO  85           HB2      PRO  85  -8.841  -0.971   8.770
  618    HB3  PRO  85           HB1      PRO  85  -8.424  -2.690   8.827
  619    HG2  PRO  85           HG2      PRO  85  -7.116  -0.379  10.214
  620    HG3  PRO  85           HG1      PRO  85  -7.513  -1.985  10.852
  621    HD2  PRO  85           HD2      PRO  85  -5.020  -1.225   9.924
  622    HD3  PRO  85           HD1      PRO  85  -5.590  -2.903  10.032
  623    H    THR  86           HN       THR  86  -5.129   0.190   7.441
  624    HA   THR  86           HA       THR  86  -6.853   2.203   6.200
  625    HB   THR  86           HB       THR  86  -5.683   3.986   7.398
  626    HG1  THR  86           HG1      THR  86  -4.615   2.369   9.352
  627   HG21  THR  86          HG21      THR  86  -7.749   3.223   8.382
  628   HG22  THR  86          HG22      THR  86  -6.599   3.580   9.669
  629   HG23  THR  86          HG23      THR  86  -6.912   1.908   9.205
  630    HA   PRO  87           HA       PRO  87  -3.690   2.579   3.076
  631    HB2  PRO  87           HB2      PRO  87  -3.834   5.513   3.427
  632    HB3  PRO  87           HB1      PRO  87  -3.990   4.546   1.962
  633    HG2  PRO  87           HG2      PRO  87  -6.136   5.639   3.118
  634    HG3  PRO  87           HG1      PRO  87  -6.205   4.039   2.359
  635    HD2  PRO  87           HD2      PRO  87  -6.116   4.762   5.254
  636    HD3  PRO  87           HD1      PRO  87  -6.968   3.432   4.445
  637    H    HIS  88           HN       HIS  88  -3.452   4.585   5.948
  638    HA   HIS  88           HA       HIS  88  -0.649   4.915   5.996
  639    HB2  HIS  88           HB2      HIS  88  -2.237   6.169   7.435
  640    HB3  HIS  88           HB1      HIS  88  -2.592   4.691   8.310
  641    HD1  HIS  88           HD1      HIS  88   0.493   6.813   7.555
  642    HD2  HIS  88           HD2      HIS  88  -1.154   4.466  10.564
  643    HE1  HIS  88           HE1      HIS  88   2.078   6.993   9.498
  644    HE2  HIS  88           HE2      HIS  88   0.980   5.688  11.355
  645    H    ALA  89           HN       ALA  89  -2.762   2.499   7.521
  646    HA   ALA  89           HA       ALA  89  -0.833   0.908   8.718
  647    HB1  ALA  89           HB1      ALA  89  -3.227   0.705   9.139
  648    HB2  ALA  89           HB2      ALA  89  -2.501  -0.850   8.726
  649    HB3  ALA  89           HB3      ALA  89  -3.452   0.028   7.524
  650    H    LEU  90           HN       LEU  90  -2.404   0.225   5.541
  651    HA   LEU  90           HA       LEU  90  -0.872  -1.947   4.815
  652    HB2  LEU  90           HB2      LEU  90  -2.715  -0.285   3.559
  653    HB3  LEU  90           HB1      LEU  90  -1.284  -0.152   2.584
  654    HG   LEU  90           HG       LEU  90  -1.237  -2.533   2.195
  655   HD11  LEU  90          HD11      LEU  90  -2.131  -3.259   4.353
  656   HD12  LEU  90          HD12      LEU  90  -3.001  -3.989   3.008
  657   HD13  LEU  90          HD13      LEU  90  -3.719  -2.646   3.896
  658   HD21  LEU  90          HD21      LEU  90  -3.988  -1.380   1.754
  659   HD22  LEU  90          HD22      LEU  90  -3.278  -2.739   0.884
  660   HD23  LEU  90          HD23      LEU  90  -2.584  -1.127   0.713
  661    H    THR  91           HN       THR  91  -0.226   1.462   4.357
  662    HA   THR  91           HA       THR  91   2.123   1.241   2.930
  663    HB   THR  91           HB       THR  91   1.077   3.339   4.819
  664    HG1  THR  91           HG1      THR  91   0.017   3.482   2.947
  665   HG21  THR  91          HG21      THR  91   3.717   3.297   3.405
  666   HG22  THR  91          HG22      THR  91   3.363   3.721   5.079
  667   HG23  THR  91          HG23      THR  91   2.900   4.814   3.774
  668    H    GLN  92           HN       GLN  92   1.588   1.513   6.414
  669    HA   GLN  92           HA       GLN  92   4.206   1.402   7.312
  670    HB2  GLN  92           HB2      GLN  92   1.659   0.361   8.549
  671    HB3  GLN  92           HB1      GLN  92   3.178   0.465   9.420
  672    HG2  GLN  92           HG2      GLN  92   3.096   2.967   8.675
  673    HG3  GLN  92           HG1      GLN  92   1.380   2.633   8.468
  674   HE21  GLN  92          HE21      GLN  92   0.128   2.108  10.277
  675   HE22  GLN  92          HE22      GLN  92   0.657   2.485  11.879
  676    H    HIS  93           HN       HIS  93   2.000  -1.190   6.467
  677    HA   HIS  93           HA       HIS  93   3.494  -3.394   7.276
  678    HB2  HIS  93           HB2      HIS  93   1.240  -3.719   6.596
  679    HB3  HIS  93           HB1      HIS  93   1.524  -2.982   5.028
  680    HD1  HIS  93           HD1      HIS  93   2.634  -6.117   6.918
  681    HD2  HIS  93           HD2      HIS  93   1.849  -4.778   3.052
  682    HE1  HIS  93           HE1      HIS  93   2.821  -8.144   5.443
  683    HE2  HIS  93           HE2      HIS  93   2.135  -7.348   3.159
  684    H    LEU  94           HN       LEU  94   3.467  -1.859   4.038
  685    HA   LEU  94           HA       LEU  94   5.559  -3.603   3.095
  686    HB2  LEU  94           HB2      LEU  94   4.438  -1.061   1.891
  687    HB3  LEU  94           HB1      LEU  94   5.380  -2.281   1.055
  688    HG   LEU  94           HG       LEU  94   2.741  -2.935   2.340
  689   HD11  LEU  94          HD11      LEU  94   1.567  -2.474   0.399
  690   HD12  LEU  94          HD12      LEU  94   3.031  -2.306  -0.571
  691   HD13  LEU  94          HD13      LEU  94   2.603  -1.063   0.619
  692   HD21  LEU  94          HD21      LEU  94   4.233  -4.798   1.748
  693   HD22  LEU  94          HD22      LEU  94   4.282  -4.222   0.078
  694   HD23  LEU  94          HD23      LEU  94   2.764  -4.796   0.773
  695    H    HIS  95           HN       HIS  95   5.438  -0.540   4.692
  696    HA   HIS  95           HA       HIS  95   8.003   0.428   3.786
  697    HB2  HIS  95           HB2      HIS  95   6.237   1.987   4.511
  698    HB3  HIS  95           HB1      HIS  95   6.230   1.259   6.107
  699    HD1  HIS  95           HD1      HIS  95   7.944   2.058   7.773
  700    HD2  HIS  95           HD2      HIS  95   8.491   3.689   3.974
  701    HE1  HIS  95           HE1      HIS  95   9.619   3.899   8.063
  702    HE2  HIS  95           HE2      HIS  95   9.731   5.018   5.814
  703    H    THR  96           HN       THR  96   6.757  -1.612   6.257
  704    HA   THR  96           HA       THR  96   9.199  -1.614   7.807
  705    HB   THR  96           HB       THR  96   6.406  -2.486   8.112
  706    HG1  THR  96           HG1      THR  96   8.103  -2.009  10.275
  707   HG21  THR  96          HG21      THR  96   8.595  -4.113   9.390
  708   HG22  THR  96          HG22      THR  96   7.438  -4.667   8.176
  709   HG23  THR  96          HG23      THR  96   6.876  -4.202   9.782
  710    H    ARG  97           HN       ARG  97   7.317  -3.645   5.627
  711    HA   ARG  97           HA       ARG  97   8.961  -5.936   5.899
  712    HB2  ARG  97           HB2      ARG  97   6.845  -5.168   3.923
  713    HB3  ARG  97           HB1      ARG  97   7.663  -6.713   3.873
  714    HG2  ARG  97           HG2      ARG  97   6.130  -5.652   6.215
  715    HG3  ARG  97           HG1      ARG  97   5.466  -6.747   5.001
  716    HD2  ARG  97           HD2      ARG  97   7.862  -7.330   6.732
  717    HD3  ARG  97           HD1      ARG  97   6.223  -7.881   7.046
  718    HE   ARG  97           HE       ARG  97   7.069  -8.648   4.451
  719   HH11  ARG  97          HH11      ARG  97   7.430  -9.457   7.830
  720   HH12  ARG  97          HH12      ARG  97   7.819 -11.119   7.523
  721   HH21  ARG  97          HH21      ARG  97   7.587 -10.842   4.037
  722   HH22  ARG  97          HH22      ARG  97   7.916 -11.903   5.369
  723    H    LEU  98           HN       LEU  98   9.235  -3.097   3.988
  724    HA   LEU  98           HA       LEU  98  10.864  -3.784   1.938
  725    HB2  LEU  98           HB2      LEU  98  10.673  -1.481   3.679
  726    HB3  LEU  98           HB1      LEU  98  12.302  -1.721   3.108
  727    HG   LEU  98           HG       LEU  98  11.706  -0.550   1.311
  728   HD11  LEU  98          HD11      LEU  98  10.684  -1.721  -0.504
  729   HD12  LEU  98          HD12      LEU  98   9.927  -2.873   0.596
  730   HD13  LEU  98          HD13      LEU  98  11.683  -2.862   0.396
  731   HD21  LEU  98          HD21      LEU  98   9.755   0.281   2.485
  732   HD22  LEU  98          HD22      LEU  98   8.830  -1.121   1.947
  733   HD23  LEU  98          HD23      LEU  98   9.434   0.046   0.768
  734    H    THR  99           HN       THR  99  12.147  -3.096   5.162
  735    HA   THR  99           HA       THR  99  14.604  -4.461   4.577
  736    HB   THR  99           HB       THR  99  14.867  -2.597   5.980
  737    HG1  THR  99           HG1      THR  99  15.424  -3.646   8.098
  738   HG21  THR  99          HG21      THR  99  12.694  -3.697   7.761
  739   HG22  THR  99          HG22      THR  99  12.535  -2.329   6.654
  740   HG23  THR  99          HG23      THR  99  13.618  -2.222   8.048
  741    H    GLN 100           HN       GLN 100  11.708  -5.063   6.504
  742    HA   GLN 100           HA       GLN 100  12.617  -7.648   7.387
  743    HB2  GLN 100           HB2      GLN 100   9.946  -6.283   7.563
  744    HB3  GLN 100           HB1      GLN 100  10.309  -7.835   8.292
  745    HG2  GLN 100           HG2      GLN 100  11.856  -5.345   8.913
  746    HG3  GLN 100           HG1      GLN 100  10.404  -5.819   9.796
  747   HE21  GLN 100          HE21      GLN 100  11.506  -6.103  11.731
  748   HE22  GLN 100          HE22      GLN 100  12.599  -7.414  11.998
  749    H    SER 101           HN       SER 101  13.051  -8.477   5.223
  750    HA   SER 101           HA       SER 101  10.669  -9.716   4.086
  751    HB2  SER 101           HB2      SER 101  11.147  -7.637   2.810
  752    HB3  SER 101           HB1      SER 101  12.732  -8.285   2.396
  753    HG   SER 101           HG       SER 101  10.794  -8.572   0.898
  754    H    HIS 102           HN       HIS 102  11.964 -10.923   1.925
  755    HA   HIS 102           HA       HIS 102  14.251 -12.325   3.026
  756    HB2  HIS 102           HB2      HIS 102  13.235 -14.565   2.533
  757    HB3  HIS 102           HB1      HIS 102  12.533 -13.732   3.893
  758    HD1  HIS 102           HD1      HIS 102  10.895 -15.922   2.775
  759    HD2  HIS 102           HD2      HIS 102  10.671 -12.054   1.273
  760    HE1  HIS 102           HE1      HIS 102   8.650 -15.760   1.658
  761    HE2  HIS 102           HE2      HIS 102   8.499 -13.392   0.827
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  10.116  -5.841 -18.456
    2    H2   GLY   1           HT2      GLY   1  10.806  -6.414 -17.023
    3    H3   GLY   1           HT3      GLY   1  11.064  -4.816 -17.504
    4    HA2  GLY   1           HA1      GLY   1   8.753  -4.285 -17.191
    5    HA3  GLY   1           HA2      GLY   1   8.433  -5.961 -16.766
    6    H    ALA   2           HN       ALA   2   7.816  -5.791 -14.688
    7    HA   ALA   2           HA       ALA   2   9.307  -4.093 -12.859
    8    HB1  ALA   2           HB1      ALA   2   6.857  -4.090 -12.778
    9    HB2  ALA   2           HB2      ALA   2   7.561  -4.619 -11.250
   10    HB3  ALA   2           HB3      ALA   2   6.873  -5.804 -12.360
   11    H    ALA   3           HN       ALA   3  11.196  -5.608 -13.355
   12    HA   ALA   3           HA       ALA   3  11.266  -8.156 -12.070
   13    HB1  ALA   3           HB1      ALA   3  13.553  -6.378 -12.926
   14    HB2  ALA   3           HB2      ALA   3  12.760  -7.584 -13.937
   15    HB3  ALA   3           HB3      ALA   3  13.663  -8.088 -12.510
   16    H    SER   4           HN       SER   4  10.612  -7.921  -9.971
   17    HA   SER   4           HA       SER   4  10.727  -7.525  -7.750
   18    HB2  SER   4           HB2      SER   4  13.090  -8.383  -8.041
   19    HB3  SER   4           HB1      SER   4  13.601  -6.700  -8.145
   20    HG   SER   4           HG       SER   4  13.056  -8.158  -5.959
   21    H    ALA   5           HN       ALA   5   9.272  -5.822  -7.964
   22    HA   ALA   5           HA       ALA   5  10.218  -3.131  -8.324
   23    HB1  ALA   5           HB1      ALA   5   7.535  -4.147  -7.384
   24    HB2  ALA   5           HB2      ALA   5   7.975  -3.745  -9.044
   25    HB3  ALA   5           HB3      ALA   5   7.907  -2.480  -7.819
   26    H    ALA   6           HN       ALA   6  10.663  -5.200  -5.895
   27    HA   ALA   6           HA       ALA   6  10.150  -3.455  -3.645
   28    HB1  ALA   6           HB1      ALA   6  11.603  -6.089  -3.909
   29    HB2  ALA   6           HB2      ALA   6   9.951  -5.832  -3.327
   30    HB3  ALA   6           HB3      ALA   6  11.323  -5.249  -2.379
   31    H    THR   7           HN       THR   7  12.614  -4.094  -5.901
   32    HA   THR   7           HA       THR   7  14.544  -2.567  -4.313
   33    HB   THR   7           HB       THR   7  15.414  -4.699  -5.105
   34    HG1  THR   7           HG1      THR   7  16.546  -2.422  -6.393
   35   HG21  THR   7          HG21      THR   7  15.786  -5.121  -7.490
   36   HG22  THR   7          HG22      THR   7  14.926  -3.632  -7.883
   37   HG23  THR   7          HG23      THR   7  14.065  -4.972  -7.122
   38    H    ASP   8           HN       ASP   8  12.114  -2.059  -6.310
   39    HA   ASP   8           HA       ASP   8  13.350   0.249  -7.622
   40    HB2  ASP   8           HB2      ASP   8  11.146  -1.542  -8.305
   41    HB3  ASP   8           HB1      ASP   8  10.759   0.170  -8.456
   42    H    LEU   9           HN       LEU   9  10.910  -0.930  -5.475
   43    HA   LEU   9           HA       LEU   9   9.612   1.527  -5.014
   44    HB2  LEU   9           HB2      LEU   9   8.495  -0.465  -4.332
   45    HB3  LEU   9           HB1      LEU   9   9.854  -0.973  -3.356
   46    HG   LEU   9           HG       LEU   9   9.488   1.107  -1.973
   47   HD11  LEU   9          HD11      LEU   9   6.846   1.096  -3.416
   48   HD12  LEU   9          HD12      LEU   9   8.127   2.317  -3.581
   49   HD13  LEU   9          HD13      LEU   9   7.280   2.113  -2.039
   50   HD21  LEU   9          HD21      LEU   9   7.338  -0.993  -1.972
   51   HD22  LEU   9          HD22      LEU   9   7.787   0.044  -0.622
   52   HD23  LEU   9          HD23      LEU   9   8.931  -1.144  -1.239
   53    H    ALA  10           HN       ALA  10  11.824  -0.382  -3.089
   54    HA   ALA  10           HA       ALA  10  12.579   1.638  -1.268
   55    HB1  ALA  10           HB1      ALA  10  14.500   0.169  -0.755
   56    HB2  ALA  10           HB2      ALA  10  14.069  -0.835  -2.143
   57    HB3  ALA  10           HB3      ALA  10  12.960  -0.689  -0.778
   58    H    ALA  11           HN       ALA  11  13.023   1.680  -4.497
   59    HA   ALA  11           HA       ALA  11  15.552   3.074  -4.478
   60    HB1  ALA  11           HB1      ALA  11  15.126   3.360  -6.884
   61    HB2  ALA  11           HB2      ALA  11  13.573   2.541  -6.670
   62    HB3  ALA  11           HB3      ALA  11  15.083   1.674  -6.367
   63    H    ARG  12           HN       ARG  12  12.038   3.797  -4.863
   64    HA   ARG  12           HA       ARG  12  12.317   6.589  -5.089
   65    HB2  ARG  12           HB2      ARG  12  10.204   4.725  -4.107
   66    HB3  ARG  12           HB1      ARG  12   9.993   6.446  -3.878
   67    HG2  ARG  12           HG2      ARG  12   8.833   6.016  -5.800
   68    HG3  ARG  12           HG1      ARG  12  10.396   6.561  -6.410
   69    HD2  ARG  12           HD2      ARG  12  11.049   4.423  -7.006
   70    HD3  ARG  12           HD1      ARG  12   9.871   3.679  -5.919
   71    HE   ARG  12           HE       ARG  12   8.660   5.223  -8.014
   72   HH11  ARG  12          HH11      ARG  12  10.093   2.124  -7.310
   73   HH12  ARG  12          HH12      ARG  12   9.117   1.268  -8.462
   74   HH21  ARG  12          HH21      ARG  12   7.381   4.111  -9.544
   75   HH22  ARG  12          HH22      ARG  12   7.593   2.401  -9.746
   76    H    LEU  13           HN       LEU  13  12.405   4.345  -2.485
   77    HA   LEU  13           HA       LEU  13  12.047   6.292  -0.394
   78    HB2  LEU  13           HB2      LEU  13  12.571   3.354  -0.502
   79    HB3  LEU  13           HB1      LEU  13  12.668   4.209   1.016
   80    HG   LEU  13           HG       LEU  13  10.339   4.660   1.024
   81   HD11  LEU  13          HD11      LEU  13  10.385   3.915  -1.865
   82   HD12  LEU  13          HD12      LEU  13   9.858   5.429  -1.112
   83   HD13  LEU  13          HD13      LEU  13   8.896   3.963  -0.911
   84   HD21  LEU  13          HD21      LEU  13   9.330   2.478   0.855
   85   HD22  LEU  13          HD22      LEU  13  10.943   2.351   1.559
   86   HD23  LEU  13          HD23      LEU  13  10.678   1.909  -0.127
   87    H    ASN  14           HN       ASN  14  14.579   4.415  -1.828
   88    HA   ASN  14           HA       ASN  14  16.792   5.003  -0.349
   89    HB2  ASN  14           HB2      ASN  14  16.183   3.903  -2.805
   90    HB3  ASN  14           HB1      ASN  14  17.232   5.250  -3.217
   91   HD21  ASN  14          HD21      ASN  14  17.442   2.251  -3.178
   92   HD22  ASN  14          HD22      ASN  14  18.957   1.955  -2.399
   93    H    GLY  15           HN       GLY  15  17.715   6.822   0.256
   94    HA2  GLY  15           HA2      GLY  15  18.784   8.896  -0.180
   95    HA3  GLY  15           HA1      GLY  15  17.728   9.120  -1.569
   96    H    LEU  16           HN       LEU  16  15.631   8.072   0.551
   97    HA   LEU  16           HA       LEU  16  14.922  10.801   1.348
   98    HB2  LEU  16           HB2      LEU  16  13.345   8.378   0.634
   99    HB3  LEU  16           HB1      LEU  16  12.635   9.543   1.722
  100    HG   LEU  16           HG       LEU  16  11.870  10.004  -0.500
  101   HD11  LEU  16          HD11      LEU  16  12.439  12.290  -0.646
  102   HD12  LEU  16          HD12      LEU  16  13.997  12.011   0.132
  103   HD13  LEU  16          HD13      LEU  16  12.505  11.850   1.067
  104   HD21  LEU  16          HD21      LEU  16  14.780  10.181  -1.280
  105   HD22  LEU  16          HD22      LEU  16  13.410  10.581  -2.317
  106   HD23  LEU  16          HD23      LEU  16  13.646   8.921  -1.771
  107    H    SER  17           HN       SER  17  13.749  11.051   3.364
  108    HA   SER  17           HA       SER  17  14.909   9.596   5.559
  109    HB2  SER  17           HB2      SER  17  13.594  11.141   6.932
  110    HB3  SER  17           HB1      SER  17  14.400  12.034   5.643
  111    HG   SER  17           HG       SER  17  12.093  12.500   6.028
  112    HA   PRO  18           HA       PRO  18  12.086   6.331   6.260
  113    HB2  PRO  18           HB2      PRO  18  11.498   7.633   8.894
  114    HB3  PRO  18           HB1      PRO  18  11.879   5.941   8.539
  115    HG2  PRO  18           HG2      PRO  18  13.764   7.498   9.532
  116    HG3  PRO  18           HG1      PRO  18  14.153   6.404   8.192
  117    HD2  PRO  18           HD2      PRO  18  13.712   9.348   8.147
  118    HD3  PRO  18           HD1      PRO  18  14.872   8.362   7.236
  119    H    GLN  19           HN       GLN  19  10.815   9.435   7.457
  120    HA   GLN  19           HA       GLN  19   8.068   8.770   7.109
  121    HB2  GLN  19           HB2      GLN  19   8.910  10.577   8.599
  122    HB3  GLN  19           HB1      GLN  19   9.305  11.517   7.166
  123    HG2  GLN  19           HG2      GLN  19   6.859  11.209   6.523
  124    HG3  GLN  19           HG1      GLN  19   6.616  10.717   8.197
  125   HE21  GLN  19          HE21      GLN  19   5.309  12.476   8.648
  126   HE22  GLN  19          HE22      GLN  19   5.937  14.078   8.805
  127    H    GLN  20           HN       GLN  20  10.464  10.264   4.984
  128    HA   GLN  20           HA       GLN  20   8.578  11.086   2.980
  129    HB2  GLN  20           HB2      GLN  20  11.569  10.648   2.964
  130    HB3  GLN  20           HB1      GLN  20  10.682  11.110   1.516
  131    HG2  GLN  20           HG2      GLN  20  10.812  12.700   4.061
  132    HG3  GLN  20           HG1      GLN  20  11.754  13.011   2.614
  133   HE21  GLN  20          HE21      GLN  20   9.567  12.382   0.803
  134   HE22  GLN  20          HE22      GLN  20   8.471  13.713   0.896
  135    H    GLN  21           HN       GLN  21  10.758   8.374   3.463
  136    HA   GLN  21           HA       GLN  21  10.194   6.807   1.253
  137    HB2  GLN  21           HB2      GLN  21  10.704   5.992   4.124
  138    HB3  GLN  21           HB1      GLN  21  10.790   4.892   2.761
  139    HG2  GLN  21           HG2      GLN  21  12.669   6.024   1.863
  140    HG3  GLN  21           HG1      GLN  21  12.496   7.360   3.005
  141   HE21  GLN  21          HE21      GLN  21  12.114   3.979   3.881
  142   HE22  GLN  21          HE22      GLN  21  13.538   3.879   4.858
  143    H    GLN  22           HN       GLN  22   8.495   7.185   4.276
  144    HA   GLN  22           HA       GLN  22   6.480   5.273   3.889
  145    HB2  GLN  22           HB2      GLN  22   6.995   6.266   6.050
  146    HB3  GLN  22           HB1      GLN  22   6.477   7.824   5.460
  147    HG2  GLN  22           HG2      GLN  22   4.303   6.182   5.028
  148    HG3  GLN  22           HG1      GLN  22   4.975   5.666   6.571
  149   HE21  GLN  22          HE21      GLN  22   5.249   8.946   5.424
  150   HE22  GLN  22          HE22      GLN  22   4.176   9.642   6.584
  151    H    GLN  23           HN       GLN  23   6.643   8.719   3.156
  152    HA   GLN  23           HA       GLN  23   4.048   9.166   2.332
  153    HB2  GLN  23           HB2      GLN  23   6.601  10.387   1.450
  154    HB3  GLN  23           HB1      GLN  23   5.025  11.043   1.027
  155    HG2  GLN  23           HG2      GLN  23   4.495  11.303   3.386
  156    HG3  GLN  23           HG1      GLN  23   6.054  10.648   3.820
  157   HE21  GLN  23          HE21      GLN  23   5.580  12.811   1.123
  158   HE22  GLN  23          HE22      GLN  23   6.384  14.171   1.825
  159    H    THR  24           HN       THR  24   6.761   7.978   0.426
  160    HA   THR  24           HA       THR  24   5.577   8.021  -2.107
  161    HB   THR  24           HB       THR  24   7.655   6.341  -0.770
  162    HG1  THR  24           HG1      THR  24   7.616   8.317  -2.804
  163   HG21  THR  24          HG21      THR  24   6.842   6.036  -3.667
  164   HG22  THR  24          HG22      THR  24   6.436   4.883  -2.395
  165   HG23  THR  24          HG23      THR  24   8.128   5.162  -2.827
  166    H    LEU  25           HN       LEU  25   5.461   5.522   0.429
  167    HA   LEU  25           HA       LEU  25   3.670   3.821  -1.073
  168    HB2  LEU  25           HB2      LEU  25   4.238   3.958   1.872
  169    HB3  LEU  25           HB1      LEU  25   3.392   2.660   1.063
  170    HG   LEU  25           HG       LEU  25   6.181   3.301   0.232
  171   HD11  LEU  25          HD11      LEU  25   7.061   1.899   1.990
  172   HD12  LEU  25          HD12      LEU  25   5.439   1.650   2.641
  173   HD13  LEU  25          HD13      LEU  25   6.173   3.254   2.695
  174   HD21  LEU  25          HD21      LEU  25   4.931   1.665  -1.036
  175   HD22  LEU  25          HD22      LEU  25   4.524   0.789   0.439
  176   HD23  LEU  25          HD23      LEU  25   6.195   0.854  -0.114
  177    H    ALA  26           HN       ALA  26   3.490   6.205   1.466
  178    HA   ALA  26           HA       ALA  26   0.704   6.080   1.912
  179    HB1  ALA  26           HB1      ALA  26   1.065   7.859   3.394
  180    HB2  ALA  26           HB2      ALA  26   2.381   8.520   2.421
  181    HB3  ALA  26           HB3      ALA  26   2.640   7.045   3.357
  182    H    THR  27           HN       THR  27   2.105   6.781  -0.810
  183    HA   THR  27           HA       THR  27   0.032   8.657  -1.673
  184    HB   THR  27           HB       THR  27   2.929   8.420  -2.442
  185    HG1  THR  27           HG1      THR  27   2.445  10.028  -0.969
  186   HG21  THR  27          HG21      THR  27   0.809   9.705  -4.158
  187   HG22  THR  27          HG22      THR  27   1.696   8.223  -4.534
  188   HG23  THR  27          HG23      THR  27   2.554   9.761  -4.430
  189    H    LEU  28           HN       LEU  28   2.219   6.068  -2.599
  190    HA   LEU  28           HA       LEU  28   0.945   5.263  -4.945
  191    HB2  LEU  28           HB2      LEU  28   3.134   4.610  -4.832
  192    HB3  LEU  28           HB1      LEU  28   3.012   4.182  -3.144
  193    HG   LEU  28           HG       LEU  28   1.357   2.366  -4.141
  194   HD11  LEU  28          HD11      LEU  28   3.397   2.752  -6.306
  195   HD12  LEU  28          HD12      LEU  28   1.665   3.059  -6.437
  196   HD13  LEU  28          HD13      LEU  28   2.252   1.412  -6.185
  197   HD21  LEU  28          HD21      LEU  28   3.389   0.824  -4.165
  198   HD22  LEU  28          HD22      LEU  28   2.996   1.701  -2.675
  199   HD23  LEU  28          HD23      LEU  28   4.307   2.272  -3.721
  200    H    VAL  29           HN       VAL  29   0.866   4.079  -1.667
  201    HA   VAL  29           HA       VAL  29  -0.767   1.832  -2.163
  202    HB   VAL  29           HB       VAL  29  -0.177   3.410   0.337
  203   HG11  VAL  29          HG11      VAL  29  -1.675   0.793   0.184
  204   HG12  VAL  29          HG12      VAL  29  -2.429   2.363   0.461
  205   HG13  VAL  29          HG13      VAL  29  -1.284   1.713   1.639
  206   HG21  VAL  29          HG21      VAL  29   1.642   2.108  -0.705
  207   HG22  VAL  29          HG22      VAL  29   0.665   0.648  -0.537
  208   HG23  VAL  29          HG23      VAL  29   1.209   1.514   0.900
  209    H    ALA  30           HN       ALA  30  -1.341   5.156  -1.421
  210    HA   ALA  30           HA       ALA  30  -4.169   4.890  -1.123
  211    HB1  ALA  30           HB1      ALA  30  -2.447   7.295  -1.595
  212    HB2  ALA  30           HB2      ALA  30  -2.944   6.663  -0.024
  213    HB3  ALA  30           HB3      ALA  30  -4.146   7.319  -1.136
  214    H    ALA  31           HN       ALA  31  -1.914   5.709  -3.621
  215    HA   ALA  31           HA       ALA  31  -3.714   6.450  -5.649
  216    HB1  ALA  31           HB1      ALA  31  -1.396   6.936  -5.918
  217    HB2  ALA  31           HB2      ALA  31  -1.794   5.742  -7.158
  218    HB3  ALA  31           HB3      ALA  31  -0.943   5.250  -5.682
  219    H    ALA  32           HN       ALA  32  -2.299   3.422  -4.647
  220    HA   ALA  32           HA       ALA  32  -3.537   1.618  -6.327
  221    HB1  ALA  32           HB1      ALA  32  -3.312   0.077  -4.323
  222    HB2  ALA  32           HB2      ALA  32  -2.701   1.489  -3.445
  223    HB3  ALA  32           HB3      ALA  32  -1.840   0.888  -4.863
  224    H    THR  33           HN       THR  33  -4.729   2.907  -3.190
  225    HA   THR  33           HA       THR  33  -7.227   1.485  -3.487
  226    HB   THR  33           HB       THR  33  -6.705   3.771  -1.581
  227    HG1  THR  33           HG1      THR  33  -5.037   2.174  -1.382
  228   HG21  THR  33          HG21      THR  33  -8.288   2.390  -0.176
  229   HG22  THR  33          HG22      THR  33  -8.574   1.402  -1.616
  230   HG23  THR  33          HG23      THR  33  -8.992   3.116  -1.621
  231    H    ALA  34           HN       ALA  34  -5.984   4.543  -4.460
  232    HA   ALA  34           HA       ALA  34  -8.460   5.816  -4.954
  233    HB1  ALA  34           HB1      ALA  34  -5.779   6.227  -6.284
  234    HB2  ALA  34           HB2      ALA  34  -6.355   7.051  -4.832
  235    HB3  ALA  34           HB3      ALA  34  -7.164   7.320  -6.379
  236    H    THR  35           HN       THR  35  -6.471   3.529  -6.625
  237    HA   THR  35           HA       THR  35  -7.814   3.532  -9.108
  238    HB   THR  35           HB       THR  35  -5.826   1.860  -7.686
  239    HG1  THR  35           HG1      THR  35  -5.199   3.505  -9.139
  240   HG21  THR  35          HG21      THR  35  -7.296   0.789 -10.080
  241   HG22  THR  35          HG22      THR  35  -7.529   0.246  -8.415
  242   HG23  THR  35          HG23      THR  35  -5.963   0.020  -9.212
  243    H    VAL  36           HN       VAL  36  -8.018   1.467  -6.209
  244    HA   VAL  36           HA       VAL  36  -9.791  -0.412  -7.252
  245    HB   VAL  36           HB       VAL  36 -10.315  -0.967  -4.878
  246   HG11  VAL  36          HG11      VAL  36  -8.576  -2.194  -5.783
  247   HG12  VAL  36          HG12      VAL  36  -7.940  -1.564  -4.264
  248   HG13  VAL  36          HG13      VAL  36  -7.490  -0.803  -5.792
  249   HG21  VAL  36          HG21      VAL  36 -10.227   0.861  -3.591
  250   HG22  VAL  36          HG22      VAL  36  -8.812   1.504  -4.419
  251   HG23  VAL  36          HG23      VAL  36  -8.636   0.174  -3.271
  252    H    LEU  37           HN       LEU  37 -10.419   2.730  -5.844
  253    HA   LEU  37           HA       LEU  37 -13.280   2.121  -5.661
  254    HB2  LEU  37           HB2      LEU  37 -11.909   4.644  -4.802
  255    HB3  LEU  37           HB1      LEU  37 -13.453   4.015  -4.268
  256    HG   LEU  37           HG       LEU  37 -10.826   2.675  -3.702
  257   HD11  LEU  37          HD11      LEU  37 -12.427   4.512  -1.946
  258   HD12  LEU  37          HD12      LEU  37 -10.884   4.886  -2.713
  259   HD13  LEU  37          HD13      LEU  37 -10.975   3.625  -1.486
  260   HD21  LEU  37          HD21      LEU  37 -13.588   2.316  -2.566
  261   HD22  LEU  37          HD22      LEU  37 -12.135   1.490  -2.002
  262   HD23  LEU  37          HD23      LEU  37 -12.739   1.199  -3.633
  263    H    GLY  38           HN       GLY  38 -11.302   3.253  -8.027
  264    HA2  GLY  38           HA2      GLY  38 -11.797   4.370  -9.988
  265    HA3  GLY  38           HA1      GLY  38 -13.423   4.629  -9.382
  266    H    HIS  39           HN       HIS  39 -11.555   5.786  -6.983
  267    HA   HIS  39           HA       HIS  39 -11.780   8.543  -7.892
  268    HB2  HIS  39           HB2      HIS  39 -10.771   7.402  -5.284
  269    HB3  HIS  39           HB1      HIS  39 -10.924   9.115  -5.627
  270    HD1  HIS  39           HD1      HIS  39 -13.021  10.155  -4.835
  271    HD2  HIS  39           HD2      HIS  39 -13.451   6.065  -5.442
  272    HE1  HIS  39           HE1      HIS  39 -15.342   9.593  -4.049
  273    HE2  HIS  39           HE2      HIS  39 -15.534   7.096  -4.317
  274    H    HIS  40           HN       HIS  40 -10.203   8.427  -9.593
  275    HA   HIS  40           HA       HIS  40  -7.905   6.967  -9.592
  276    HB2  HIS  40           HB2      HIS  40  -9.039   8.359 -11.467
  277    HB3  HIS  40           HB1      HIS  40  -7.911   9.616 -10.973
  278    HD1  HIS  40           HD1      HIS  40  -8.184   7.205 -13.450
  279    HD2  HIS  40           HD2      HIS  40  -5.102   8.202 -10.839
  280    HE1  HIS  40           HE1      HIS  40  -6.086   6.337 -14.522
  281    HE2  HIS  40           HE2      HIS  40  -4.240   6.895 -12.903
  282    H    THR  41           HN       THR  41  -8.207  10.217  -8.190
  283    HA   THR  41           HA       THR  41  -5.327  10.257  -7.803
  284    HB   THR  41           HB       THR  41  -6.335  12.355  -8.524
  285    HG1  THR  41           HG1      THR  41  -5.408  13.679  -6.846
  286   HG21  THR  41          HG21      THR  41  -7.732  12.303  -5.865
  287   HG22  THR  41          HG22      THR  41  -8.515  12.143  -7.440
  288   HG23  THR  41          HG23      THR  41  -7.729  13.658  -6.994
  289    HA   PRO  42           HA       PRO  42  -5.415   8.705  -3.682
  290    HB2  PRO  42           HB2      PRO  42  -2.992  10.214  -3.136
  291    HB3  PRO  42           HB1      PRO  42  -3.197   8.475  -3.328
  292    HG2  PRO  42           HG2      PRO  42  -1.900  10.068  -5.135
  293    HG3  PRO  42           HG1      PRO  42  -2.671   8.525  -5.521
  294    HD2  PRO  42           HD2      PRO  42  -3.640  11.293  -6.077
  295    HD3  PRO  42           HD1      PRO  42  -3.847   9.789  -6.993
  296    H    GLU  43           HN       GLU  43  -5.508  11.971  -4.537
  297    HA   GLU  43           HA       GLU  43  -5.471  13.312  -2.098
  298    HB2  GLU  43           HB2      GLU  43  -7.031  13.848  -4.612
  299    HB3  GLU  43           HB1      GLU  43  -6.983  14.965  -3.255
  300    HG2  GLU  43           HG2      GLU  43  -4.625  15.251  -3.520
  301    HG3  GLU  43           HG1      GLU  43  -4.587  13.986  -4.746
  302    H    SER  44           HN       SER  44  -7.975  11.358  -3.566
  303    HA   SER  44           HA       SER  44  -9.907  12.129  -1.526
  304    HB2  SER  44           HB2      SER  44 -10.548  11.883  -3.949
  305    HB3  SER  44           HB1      SER  44 -10.267  10.157  -3.764
  306    HG   SER  44           HG       SER  44 -11.839  10.296  -1.977
  307    H    ILE  45           HN       ILE  45  -7.363  10.304  -1.414
  308    HA   ILE  45           HA       ILE  45  -8.655   8.060   0.002
  309    HB   ILE  45           HB       ILE  45  -5.893   8.060  -1.201
  310   HG12  ILE  45          HG12      ILE  45  -7.543   8.245  -2.981
  311   HG13  ILE  45          HG11      ILE  45  -6.844   6.634  -2.961
  312   HG21  ILE  45          HG21      ILE  45  -5.976   5.655  -0.862
  313   HG22  ILE  45          HG22      ILE  45  -7.597   5.788  -0.179
  314   HG23  ILE  45          HG23      ILE  45  -6.220   6.496   0.670
  315   HD11  ILE  45          HD11      ILE  45  -9.237   6.593  -3.379
  316   HD12  ILE  45          HD12      ILE  45  -9.522   7.375  -1.826
  317   HD13  ILE  45          HD13      ILE  45  -8.821   5.757  -1.884
  318    H    SER  46           HN       SER  46  -8.737   9.124   2.002
  319    HA   SER  46           HA       SER  46  -6.402  10.238   3.223
  320    HB2  SER  46           HB2      SER  46  -8.850  10.799   3.763
  321    HB3  SER  46           HB1      SER  46  -8.863   9.287   4.658
  322    HG   SER  46           HG       SER  46  -7.416  11.638   5.178
  323    HA   PRO  47           HA       PRO  47  -4.705   6.414   4.519
  324    HB2  PRO  47           HB2      PRO  47  -2.788   7.258   6.125
  325    HB3  PRO  47           HB1      PRO  47  -2.819   7.821   4.455
  326    HG2  PRO  47           HG2      PRO  47  -3.655   9.235   6.940
  327    HG3  PRO  47           HG1      PRO  47  -2.827   9.874   5.515
  328    HD2  PRO  47           HD2      PRO  47  -5.591   9.996   6.048
  329    HD3  PRO  47           HD1      PRO  47  -4.803  10.356   4.490
  330    H    ALA  48           HN       ALA  48  -6.576   8.254   6.495
  331    HA   ALA  48           HA       ALA  48  -6.269   6.428   8.743
  332    HB1  ALA  48           HB1      ALA  48  -5.265   8.696   9.002
  333    HB2  ALA  48           HB2      ALA  48  -6.422   8.224  10.255
  334    HB3  ALA  48           HB3      ALA  48  -6.908   9.339   8.976
  335    H    THR  49           HN       THR  49  -8.263   7.305   6.347
  336    HA   THR  49           HA       THR  49 -10.780   7.443   7.645
  337    HB   THR  49           HB       THR  49  -9.880   6.891   4.836
  338    HG1  THR  49           HG1      THR  49 -11.007   9.045   6.246
  339   HG21  THR  49          HG21      THR  49 -11.840   5.523   5.216
  340   HG22  THR  49          HG22      THR  49 -12.204   6.860   4.119
  341   HG23  THR  49          HG23      THR  49 -12.729   6.930   5.803
  342    H    ALA  50           HN       ALA  50  -8.911   4.933   6.106
  343    HA   ALA  50           HA       ALA  50  -8.720   2.692   6.678
  344    HB1  ALA  50           HB1      ALA  50 -11.561   2.836   7.665
  345    HB2  ALA  50           HB2      ALA  50 -10.114   2.855   8.679
  346    HB3  ALA  50           HB3      ALA  50 -10.500   1.424   7.721
  347    H    PHE  51           HN       PHE  51  -8.914   1.111   5.340
  348    HA   PHE  51           HA       PHE  51  -9.911   1.455   2.773
  349    HB2  PHE  51           HB2      PHE  51  -9.249  -1.035   4.327
  350    HB3  PHE  51           HB1      PHE  51  -9.612  -1.044   2.601
  351    HD1  PHE  51           HD1      PHE  51  -8.303   1.259   1.581
  352    HD2  PHE  51           HD2      PHE  51  -7.037  -1.418   4.612
  353    HE1  PHE  51           HE1      PHE  51  -5.967   1.790   1.065
  354    HE2  PHE  51           HE2      PHE  51  -4.692  -0.894   4.119
  355    HZ   PHE  51           HZ       PHE  51  -4.165   0.823   2.392
  356    H    LYS  52           HN       LYS  52 -11.289  -0.291   5.501
  357    HA   LYS  52           HA       LYS  52 -13.582  -1.285   4.363
  358    HB2  LYS  52           HB2      LYS  52 -13.175  -0.051   7.097
  359    HB3  LYS  52           HB1      LYS  52 -14.554  -1.046   6.649
  360    HG2  LYS  52           HG2      LYS  52 -12.921  -2.887   6.141
  361    HG3  LYS  52           HG1      LYS  52 -11.663  -1.858   6.816
  362    HD2  LYS  52           HD2      LYS  52 -14.122  -2.736   8.325
  363    HD3  LYS  52           HD1      LYS  52 -12.559  -3.546   8.404
  364    HE2  LYS  52           HE2      LYS  52 -11.530  -1.533   9.245
  365    HE3  LYS  52           HE1      LYS  52 -13.069  -0.678   9.150
  366    HZ1  LYS  52           HZ1      LYS  52 -13.961  -2.328  10.743
  367    HZ2  LYS  52           HZ2      LYS  52 -12.711  -1.390  11.386
  368    HZ3  LYS  52           HZ3      LYS  52 -12.405  -2.981  10.904
  369    H    ASP  53           HN       ASP  53 -12.880   1.884   5.671
  370    HA   ASP  53           HA       ASP  53 -15.536   2.877   5.316
  371    HB2  ASP  53           HB2      ASP  53 -12.930   4.160   6.150
  372    HB3  ASP  53           HB1      ASP  53 -14.435   5.069   5.996
  373    H    LEU  54           HN       LEU  54 -12.942   2.405   3.312
  374    HA   LEU  54           HA       LEU  54 -13.323   4.757   1.643
  375    HB2  LEU  54           HB2      LEU  54 -11.299   2.582   1.840
  376    HB3  LEU  54           HB1      LEU  54 -11.423   3.466   0.341
  377    HG   LEU  54           HG       LEU  54 -11.016   4.814   3.009
  378   HD11  LEU  54          HD11      LEU  54  -8.641   4.972   2.386
  379   HD12  LEU  54          HD12      LEU  54  -8.946   3.885   1.032
  380   HD13  LEU  54          HD13      LEU  54  -9.161   3.314   2.688
  381   HD21  LEU  54          HD21      LEU  54 -11.857   6.237   1.250
  382   HD22  LEU  54          HD22      LEU  54 -10.584   5.684   0.165
  383   HD23  LEU  54          HD23      LEU  54 -10.173   6.632   1.593
  384    H    GLY  55           HN       GLY  55 -14.101   1.382   1.723
  385    HA2  GLY  55           HA2      GLY  55 -15.993   0.814   0.204
  386    HA3  GLY  55           HA1      GLY  55 -15.051   1.575  -1.071
  387    H    ILE  56           HN       ILE  56 -12.885   0.115   0.882
  388    HA   ILE  56           HA       ILE  56 -12.277  -2.004  -0.869
  389    HB   ILE  56           HB       ILE  56 -11.438  -1.382   1.944
  390   HG12  ILE  56          HG12      ILE  56 -10.128  -0.027   0.712
  391   HG13  ILE  56          HG11      ILE  56  -9.163  -1.481   0.576
  392   HG21  ILE  56          HG21      ILE  56  -9.726  -3.223   1.564
  393   HG22  ILE  56          HG22      ILE  56 -10.880  -3.838   0.379
  394   HG23  ILE  56          HG23      ILE  56 -11.359  -3.656   2.071
  395   HD11  ILE  56          HD11      ILE  56 -10.316  -1.950  -1.586
  396   HD12  ILE  56          HD12      ILE  56  -9.288  -0.520  -1.564
  397   HD13  ILE  56          HD13      ILE  56 -11.041  -0.340  -1.459
  398    H    ASP  57           HN       ASP  57 -13.062  -3.968  -1.045
  399    HA   ASP  57           HA       ASP  57 -14.219  -5.384   1.173
  400    HB2  ASP  57           HB2      ASP  57 -16.157  -4.023   0.414
  401    HB3  ASP  57           HB1      ASP  57 -15.991  -4.721  -1.193
  402    H    SER  58           HN       SER  58 -12.747  -6.950   0.816
  403    HA   SER  58           HA       SER  58 -11.804  -8.812  -0.021
  404    HB2  SER  58           HB2      SER  58 -13.321 -10.384  -1.232
  405    HB3  SER  58           HB1      SER  58 -13.971  -9.767   0.282
  406    HG   SER  58           HG       SER  58 -15.254  -8.322  -0.916
  407    H    LEU  59           HN       LEU  59 -13.737  -8.204  -2.927
  408    HA   LEU  59           HA       LEU  59 -11.854  -8.815  -4.836
  409    HB2  LEU  59           HB2      LEU  59 -14.000  -6.702  -4.912
  410    HB3  LEU  59           HB1      LEU  59 -13.134  -7.262  -6.326
  411    HG   LEU  59           HG       LEU  59 -14.935  -8.940  -4.575
  412   HD11  LEU  59          HD11      LEU  59 -16.126  -7.279  -5.897
  413   HD12  LEU  59          HD12      LEU  59 -16.429  -8.911  -6.501
  414   HD13  LEU  59          HD13      LEU  59 -15.309  -7.845  -7.353
  415   HD21  LEU  59          HD21      LEU  59 -13.468  -9.608  -7.125
  416   HD22  LEU  59          HD22      LEU  59 -14.669 -10.632  -6.341
  417   HD23  LEU  59          HD23      LEU  59 -13.147 -10.278  -5.526
  418    H    THR  60           HN       THR  60 -12.553  -5.587  -3.529
  419    HA   THR  60           HA       THR  60 -10.360  -4.473  -5.054
  420    HB   THR  60           HB       THR  60 -11.068  -2.356  -3.730
  421    HG1  THR  60           HG1      THR  60 -13.561  -2.885  -3.439
  422   HG21  THR  60          HG21      THR  60 -12.870  -1.988  -5.389
  423   HG22  THR  60          HG22      THR  60 -12.820  -3.711  -5.786
  424   HG23  THR  60          HG23      THR  60 -11.412  -2.688  -6.106
  425    H    ALA  61           HN       ALA  61 -10.835  -5.810  -1.974
  426    HA   ALA  61           HA       ALA  61  -8.540  -4.588  -0.763
  427    HB1  ALA  61           HB1      ALA  61  -8.785  -6.200   0.984
  428    HB2  ALA  61           HB2      ALA  61  -9.821  -7.218  -0.022
  429    HB3  ALA  61           HB3      ALA  61 -10.401  -5.645   0.531
  430    H    LEU  62           HN       LEU  62  -9.227  -7.472  -2.675
  431    HA   LEU  62           HA       LEU  62  -6.551  -8.449  -2.570
  432    HB2  LEU  62           HB2      LEU  62  -8.924  -9.563  -3.139
  433    HB3  LEU  62           HB1      LEU  62  -8.384  -9.201  -4.758
  434    HG   LEU  62           HG       LEU  62  -7.635 -11.365  -4.520
  435   HD11  LEU  62          HD11      LEU  62  -5.324  -9.813  -3.355
  436   HD12  LEU  62          HD12      LEU  62  -5.709  -9.945  -5.072
  437   HD13  LEU  62          HD13      LEU  62  -5.240 -11.383  -4.161
  438   HD21  LEU  62          HD21      LEU  62  -6.741 -12.294  -2.436
  439   HD22  LEU  62          HD22      LEU  62  -8.376 -11.661  -2.246
  440   HD23  LEU  62          HD23      LEU  62  -6.998 -10.736  -1.650
  441    H    GLU  63           HN       GLU  63  -8.499  -6.552  -4.922
  442    HA   GLU  63           HA       GLU  63  -6.474  -6.373  -6.855
  443    HB2  GLU  63           HB2      GLU  63  -8.575  -5.846  -7.651
  444    HB3  GLU  63           HB1      GLU  63  -9.041  -5.028  -6.171
  445    HG2  GLU  63           HG2      GLU  63  -8.929  -3.376  -7.801
  446    HG3  GLU  63           HG1      GLU  63  -7.486  -3.224  -6.797
  447    H    LEU  64           HN       LEU  64  -7.292  -4.502  -3.951
  448    HA   LEU  64           HA       LEU  64  -5.358  -2.500  -4.137
  449    HB2  LEU  64           HB2      LEU  64  -7.054  -3.532  -2.120
  450    HB3  LEU  64           HB1      LEU  64  -5.416  -3.649  -1.492
  451    HG   LEU  64           HG       LEU  64  -6.792  -1.139  -2.432
  452   HD11  LEU  64          HD11      LEU  64  -5.769  -1.875   0.309
  453   HD12  LEU  64          HD12      LEU  64  -7.445  -2.106  -0.196
  454   HD13  LEU  64          HD13      LEU  64  -6.755  -0.480  -0.142
  455   HD21  LEU  64          HD21      LEU  64  -4.746  -0.001  -1.721
  456   HD22  LEU  64          HD22      LEU  64  -4.423  -1.144  -3.031
  457   HD23  LEU  64          HD23      LEU  64  -4.007  -1.565  -1.371
  458    H    ARG  65           HN       ARG  65  -5.279  -5.742  -2.995
  459    HA   ARG  65           HA       ARG  65  -2.641  -5.872  -2.054
  460    HB2  ARG  65           HB2      ARG  65  -4.284  -7.505  -1.364
  461    HB3  ARG  65           HB1      ARG  65  -4.502  -8.050  -3.022
  462    HG2  ARG  65           HG2      ARG  65  -1.805  -8.256  -1.754
  463    HG3  ARG  65           HG1      ARG  65  -3.056  -9.425  -1.331
  464    HD2  ARG  65           HD2      ARG  65  -3.261 -10.135  -3.602
  465    HD3  ARG  65           HD1      ARG  65  -2.244  -8.811  -4.168
  466    HE   ARG  65           HE       ARG  65  -0.810 -10.392  -2.328
  467   HH11  ARG  65          HH11      ARG  65  -2.114 -10.584  -5.574
  468   HH12  ARG  65          HH12      ARG  65  -0.848 -11.609  -6.158
  469   HH21  ARG  65          HH21      ARG  65   0.848 -11.755  -3.095
  470   HH22  ARG  65          HH22      ARG  65   0.845 -12.276  -4.747
  471    H    ASN  66           HN       ASN  66  -4.076  -6.887  -5.083
  472    HA   ASN  66           HA       ASN  66  -1.847  -7.824  -6.410
  473    HB2  ASN  66           HB2      ASN  66  -4.482  -6.741  -7.195
  474    HB3  ASN  66           HB1      ASN  66  -3.268  -6.787  -8.457
  475   HD21  ASN  66          HD21      ASN  66  -5.352  -8.588  -6.440
  476   HD22  ASN  66          HD22      ASN  66  -5.052 -10.132  -7.150
  477    H    THR  67           HN       THR  67  -2.978  -4.474  -6.088
  478    HA   THR  67           HA       THR  67  -0.971  -3.472  -7.872
  479    HB   THR  67           HB       THR  67  -2.660  -2.017  -5.849
  480    HG1  THR  67           HG1      THR  67  -4.048  -2.751  -7.375
  481   HG21  THR  67          HG21      THR  67  -0.675  -0.719  -6.407
  482   HG22  THR  67          HG22      THR  67  -2.100   0.003  -7.157
  483   HG23  THR  67          HG23      THR  67  -0.986  -0.958  -8.127
  484    H    LEU  68           HN       LEU  68  -1.398  -3.403  -4.350
  485    HA   LEU  68           HA       LEU  68   0.883  -2.048  -3.604
  486    HB2  LEU  68           HB2      LEU  68  -0.192  -4.489  -2.200
  487    HB3  LEU  68           HB1      LEU  68   0.731  -3.192  -1.482
  488    HG   LEU  68           HG       LEU  68  -1.980  -2.740  -2.677
  489   HD11  LEU  68          HD11      LEU  68  -1.943  -4.532  -0.911
  490   HD12  LEU  68          HD12      LEU  68  -2.953  -3.134  -0.565
  491   HD13  LEU  68          HD13      LEU  68  -1.379  -3.297   0.213
  492   HD21  LEU  68          HD21      LEU  68  -1.961  -0.784  -1.243
  493   HD22  LEU  68          HD22      LEU  68  -0.538  -0.778  -2.285
  494   HD23  LEU  68          HD23      LEU  68  -0.390  -1.247  -0.591
  495    H    THR  69           HN       THR  69   0.510  -5.571  -3.711
  496    HA   THR  69           HA       THR  69   3.137  -6.210  -3.120
  497    HB   THR  69           HB       THR  69   0.740  -7.583  -3.814
  498    HG1  THR  69           HG1      THR  69   3.177  -8.749  -2.934
  499   HG21  THR  69          HG21      THR  69   1.562  -9.477  -5.104
  500   HG22  THR  69          HG22      THR  69   3.140  -8.705  -5.266
  501   HG23  THR  69          HG23      THR  69   1.723  -7.984  -6.034
  502    H    HIS  70           HN       HIS  70   1.664  -5.334  -6.160
  503    HA   HIS  70           HA       HIS  70   3.806  -6.231  -7.805
  504    HB2  HIS  70           HB2      HIS  70   1.503  -5.916  -8.663
  505    HB3  HIS  70           HB1      HIS  70   1.638  -4.195  -8.362
  506    HD1  HIS  70           HD1      HIS  70   2.474  -6.810 -10.827
  507    HD2  HIS  70           HD2      HIS  70   3.392  -2.818 -10.146
  508    HE1  HIS  70           HE1      HIS  70   3.466  -5.973 -12.980
  509    HE2  HIS  70           HE2      HIS  70   3.840  -3.511 -12.600
  510    H    ASN  71           HN       ASN  71   2.942  -3.163  -6.301
  511    HA   ASN  71           HA       ASN  71   5.090  -1.746  -7.578
  512    HB2  ASN  71           HB2      ASN  71   3.081  -0.974  -5.508
  513    HB3  ASN  71           HB1      ASN  71   4.386   0.104  -6.001
  514   HD21  ASN  71          HD21      ASN  71   1.471  -1.476  -6.946
  515   HD22  ASN  71          HD22      ASN  71   1.182  -0.539  -8.366
  516    H    THR  72           HN       THR  72   4.784  -3.596  -4.720
  517    HA   THR  72           HA       THR  72   7.173  -2.323  -3.592
  518    HB   THR  72           HB       THR  72   6.418  -3.221  -1.424
  519    HG1  THR  72           HG1      THR  72   3.961  -3.854  -2.704
  520   HG21  THR  72          HG21      THR  72   5.616  -0.974  -2.593
  521   HG22  THR  72          HG22      THR  72   4.944  -1.486  -1.046
  522   HG23  THR  72          HG23      THR  72   4.049  -1.787  -2.538
  523    H    GLY  73           HN       GLY  73   5.956  -5.169  -5.008
  524    HA2  GLY  73           HA2      GLY  73   7.398  -6.797  -5.878
  525    HA3  GLY  73           HA1      GLY  73   8.663  -6.152  -4.854
  526    H    LEU  74           HN       LEU  74   5.968  -6.566  -3.039
  527    HA   LEU  74           HA       LEU  74   7.259  -8.728  -1.639
  528    HB2  LEU  74           HB2      LEU  74   5.918  -6.483  -0.869
  529    HB3  LEU  74           HB1      LEU  74   4.689  -7.711  -0.649
  530    HG   LEU  74           HG       LEU  74   6.417  -9.008   0.678
  531   HD11  LEU  74          HD11      LEU  74   8.268  -7.573  -0.330
  532   HD12  LEU  74          HD12      LEU  74   8.368  -7.929   1.401
  533   HD13  LEU  74          HD13      LEU  74   7.798  -6.351   0.855
  534   HD21  LEU  74          HD21      LEU  74   4.544  -7.712   1.669
  535   HD22  LEU  74          HD22      LEU  74   5.624  -6.323   1.788
  536   HD23  LEU  74          HD23      LEU  74   5.973  -7.793   2.695
  537    H    ASP  75           HN       ASP  75   6.000 -10.459  -0.734
  538    HA   ASP  75           HA       ASP  75   4.042 -11.486  -2.679
  539    HB2  ASP  75           HB2      ASP  75   6.193 -12.656  -2.761
  540    HB3  ASP  75           HB1      ASP  75   6.073 -12.964  -1.039
  541    H    LEU  76           HN       LEU  76   2.651 -10.228  -1.170
  542    HA   LEU  76           HA       LEU  76   2.021 -11.719   1.283
  543    HB2  LEU  76           HB2      LEU  76   2.629  -9.109   1.084
  544    HB3  LEU  76           HB1      LEU  76   0.904  -9.009   0.807
  545    HG   LEU  76           HG       LEU  76   1.477  -8.605   3.153
  546   HD11  LEU  76          HD11      LEU  76  -0.079 -10.168   4.182
  547   HD12  LEU  76          HD12      LEU  76  -0.003 -11.194   2.750
  548   HD13  LEU  76          HD13      LEU  76  -0.693  -9.577   2.639
  549   HD21  LEU  76          HD21      LEU  76   3.493 -10.004   3.237
  550   HD22  LEU  76          HD22      LEU  76   2.481 -11.447   3.170
  551   HD23  LEU  76          HD23      LEU  76   2.376 -10.360   4.553
  552    HA   PRO  77           HA       PRO  77  -1.656 -12.974  -1.039
  553    HB2  PRO  77           HB2      PRO  77  -2.280 -14.337   1.503
  554    HB3  PRO  77           HB1      PRO  77  -2.066 -15.021  -0.109
  555    HG2  PRO  77           HG2      PRO  77  -0.251 -15.403   1.813
  556    HG3  PRO  77           HG1      PRO  77   0.225 -15.187   0.117
  557    HD2  PRO  77           HD2      PRO  77   0.269 -13.206   2.364
  558    HD3  PRO  77           HD1      PRO  77   1.492 -13.521   1.114
  559    HA   PRO  78           HA       PRO  78  -5.233 -10.656   0.472
  560    HB2  PRO  78           HB2      PRO  78  -6.964 -12.602   1.488
  561    HB3  PRO  78           HB1      PRO  78  -6.911 -12.023  -0.179
  562    HG2  PRO  78           HG2      PRO  78  -5.677 -14.459   1.024
  563    HG3  PRO  78           HG1      PRO  78  -6.435 -14.248  -0.566
  564    HD2  PRO  78           HD2      PRO  78  -3.794 -14.347  -0.335
  565    HD3  PRO  78           HD1      PRO  78  -4.554 -13.203  -1.458
  566    H    THR  79           HN       THR  79  -6.965 -10.734   2.506
  567    HA   THR  79           HA       THR  79  -7.207 -10.022   4.565
  568    HB   THR  79           HB       THR  79  -6.257 -11.343   6.434
  569    HG1  THR  79           HG1      THR  79  -4.596 -12.251   4.480
  570   HG21  THR  79          HG21      THR  79  -7.486 -13.401   5.900
  571   HG22  THR  79          HG22      THR  79  -7.550 -12.907   4.208
  572   HG23  THR  79          HG23      THR  79  -8.377 -11.951   5.438
  573    H    LEU  80           HN       LEU  80  -4.764  -9.090   2.956
  574    HA   LEU  80           HA       LEU  80  -3.017  -8.049   4.960
  575    HB2  LEU  80           HB2      LEU  80  -2.341  -8.369   2.607
  576    HB3  LEU  80           HB1      LEU  80  -3.480  -7.131   2.119
  577    HG   LEU  80           HG       LEU  80  -2.213  -5.439   3.327
  578   HD11  LEU  80          HD11      LEU  80  -1.381  -6.776   5.163
  579   HD12  LEU  80          HD12      LEU  80  -0.037  -5.999   4.326
  580   HD13  LEU  80          HD13      LEU  80  -0.372  -7.709   4.058
  581   HD21  LEU  80          HD21      LEU  80  -0.471  -7.139   1.546
  582   HD22  LEU  80          HD22      LEU  80  -0.196  -5.444   1.948
  583   HD23  LEU  80          HD23      LEU  80  -1.615  -5.909   1.010
  584    H    ILE  81           HN       ILE  81  -5.847  -6.861   3.238
  585    HA   ILE  81           HA       ILE  81  -5.827  -4.248   4.398
  586    HB   ILE  81           HB       ILE  81  -8.232  -5.763   3.352
  587   HG12  ILE  81          HG12      ILE  81  -6.713  -5.706   1.548
  588   HG13  ILE  81          HG11      ILE  81  -7.781  -4.339   1.301
  589   HG21  ILE  81          HG21      ILE  81  -8.422  -3.538   4.719
  590   HG22  ILE  81          HG22      ILE  81  -9.378  -3.793   3.257
  591   HG23  ILE  81          HG23      ILE  81  -7.907  -2.817   3.184
  592   HD11  ILE  81          HD11      ILE  81  -5.062  -4.202   2.547
  593   HD12  ILE  81          HD12      ILE  81  -6.130  -2.846   2.183
  594   HD13  ILE  81          HD13      ILE  81  -5.445  -3.809   0.871
  595    H    PHE  82           HN       PHE  82  -7.114  -7.331   5.314
  596    HA   PHE  82           HA       PHE  82  -8.647  -6.465   7.513
  597    HB2  PHE  82           HB2      PHE  82  -7.442  -9.157   6.842
  598    HB3  PHE  82           HB1      PHE  82  -8.616  -8.878   8.119
  599    HD1  PHE  82           HD1      PHE  82 -10.815  -9.282   7.656
  600    HD2  PHE  82           HD2      PHE  82  -8.224  -8.195   4.452
  601    HE1  PHE  82           HE1      PHE  82 -12.664  -9.564   6.063
  602    HE2  PHE  82           HE2      PHE  82 -10.070  -8.483   2.861
  603    HZ   PHE  82           HZ       PHE  82 -12.292  -9.163   3.659
  604    H    ASP  83           HN       ASP  83  -5.288  -7.427   7.119
  605    HA   ASP  83           HA       ASP  83  -4.747  -7.306   9.957
  606    HB2  ASP  83           HB2      ASP  83  -3.531  -8.829   8.335
  607    HB3  ASP  83           HB1      ASP  83  -2.736  -7.396   7.699
  608    H    HIS  84           HN       HIS  84  -4.514  -5.247   7.169
  609    HA   HIS  84           HA       HIS  84  -3.680  -3.012   8.894
  610    HB2  HIS  84           HB2      HIS  84  -2.630  -3.723   6.159
  611    HB3  HIS  84           HB1      HIS  84  -2.400  -2.143   6.880
  612    HD1  HIS  84           HD1      HIS  84  -0.688  -1.993   8.851
  613    HD2  HIS  84           HD2      HIS  84  -1.111  -5.794   7.224
  614    HE1  HIS  84           HE1      HIS  84   1.219  -3.333   9.775
  615    HE2  HIS  84           HE2      HIS  84   0.805  -5.679   8.958
  616    HA   PRO  85           HA       PRO  85  -7.530  -2.165   6.726
  617    HB2  PRO  85           HB2      PRO  85  -8.858  -0.987   8.699
  618    HB3  PRO  85           HB1      PRO  85  -8.464  -2.709   8.776
  619    HG2  PRO  85           HG2      PRO  85  -7.120  -0.398  10.118
  620    HG3  PRO  85           HG1      PRO  85  -7.509  -1.999  10.772
  621    HD2  PRO  85           HD2      PRO  85  -5.031  -1.236   9.772
  622    HD3  PRO  85           HD1      PRO  85  -5.585  -2.912   9.955
  623    H    THR  86           HN       THR  86  -5.135   0.111   7.348
  624    HA   THR  86           HA       THR  86  -6.834   2.146   6.103
  625    HB   THR  86           HB       THR  86  -5.718   3.921   7.326
  626    HG1  THR  86           HG1      THR  86  -4.510   2.722   9.311
  627   HG21  THR  86          HG21      THR  86  -6.565   3.480   9.610
  628   HG22  THR  86          HG22      THR  86  -6.814   1.792   9.165
  629   HG23  THR  86          HG23      THR  86  -7.732   3.063   8.358
  630    HA   PRO  87           HA       PRO  87  -3.597   2.518   3.042
  631    HB2  PRO  87           HB2      PRO  87  -3.741   5.453   3.368
  632    HB3  PRO  87           HB1      PRO  87  -3.893   4.473   1.911
  633    HG2  PRO  87           HG2      PRO  87  -6.040   5.597   3.050
  634    HG3  PRO  87           HG1      PRO  87  -6.119   3.999   2.287
  635    HD2  PRO  87           HD2      PRO  87  -6.049   4.718   5.184
  636    HD3  PRO  87           HD1      PRO  87  -6.908   3.398   4.363
  637    H    HIS  88           HN       HIS  88  -3.426   4.525   5.934
  638    HA   HIS  88           HA       HIS  88  -0.628   4.845   6.051
  639    HB2  HIS  88           HB2      HIS  88  -2.246   6.059   7.488
  640    HB3  HIS  88           HB1      HIS  88  -2.628   4.557   8.309
  641    HD1  HIS  88           HD1      HIS  88   0.545   6.581   7.647
  642    HD2  HIS  88           HD2      HIS  88  -1.320   4.377  10.637
  643    HE1  HIS  88           HE1      HIS  88   2.068   6.725   9.640
  644    HE2  HIS  88           HE2      HIS  88   0.808   5.572  11.493
  645    H    ALA  89           HN       ALA  89  -2.761   2.412   7.514
  646    HA   ALA  89           HA       ALA  89  -0.856   0.796   8.707
  647    HB1  ALA  89           HB1      ALA  89  -2.539  -0.965   8.642
  648    HB2  ALA  89           HB2      ALA  89  -3.471  -0.029   7.469
  649    HB3  ALA  89           HB3      ALA  89  -3.242   0.585   9.110
  650    H    LEU  90           HN       LEU  90  -2.390   0.188   5.509
  651    HA   LEU  90           HA       LEU  90  -0.855  -1.960   4.730
  652    HB2  LEU  90           HB2      LEU  90  -2.639  -0.145   3.506
  653    HB3  LEU  90           HB1      LEU  90  -1.220  -0.215   2.501
  654    HG   LEU  90           HG       LEU  90  -1.459  -2.553   2.140
  655   HD11  LEU  90          HD11      LEU  90  -3.704  -2.441   4.143
  656   HD12  LEU  90          HD12      LEU  90  -2.157  -3.263   4.338
  657   HD13  LEU  90          HD13      LEU  90  -3.309  -3.827   3.135
  658   HD21  LEU  90          HD21      LEU  90  -3.669  -2.633   1.092
  659   HD22  LEU  90          HD22      LEU  90  -2.827  -1.123   0.750
  660   HD23  LEU  90          HD23      LEU  90  -4.120  -1.163   1.949
  661    H    THR  91           HN       THR  91  -0.177   1.465   4.386
  662    HA   THR  91           HA       THR  91   2.204   1.233   2.980
  663    HB   THR  91           HB       THR  91   1.121   3.334   4.849
  664    HG1  THR  91           HG1      THR  91   0.120   3.486   2.946
  665   HG21  THR  91          HG21      THR  91   3.399   3.699   5.183
  666   HG22  THR  91          HG22      THR  91   2.987   4.806   3.871
  667   HG23  THR  91          HG23      THR  91   3.806   3.284   3.521
  668    H    GLN  92           HN       GLN  92   1.578   1.458   6.457
  669    HA   GLN  92           HA       GLN  92   4.155   1.324   7.439
  670    HB2  GLN  92           HB2      GLN  92   1.622   0.116   8.561
  671    HB3  GLN  92           HB1      GLN  92   3.108   0.305   9.473
  672    HG2  GLN  92           HG2      GLN  92   2.911   2.792   8.944
  673    HG3  GLN  92           HG1      GLN  92   1.268   2.421   8.435
  674   HE21  GLN  92          HE21      GLN  92   3.451   2.615  11.122
  675   HE22  GLN  92          HE22      GLN  92   2.253   2.520  12.365
  676    H    HIS  93           HN       HIS  93   2.043  -1.264   6.351
  677    HA   HIS  93           HA       HIS  93   3.579  -3.454   7.170
  678    HB2  HIS  93           HB2      HIS  93   1.340  -3.830   6.440
  679    HB3  HIS  93           HB1      HIS  93   1.651  -3.089   4.876
  680    HD1  HIS  93           HD1      HIS  93   2.567  -6.212   6.838
  681    HD2  HIS  93           HD2      HIS  93   2.403  -4.821   2.914
  682    HE1  HIS  93           HE1      HIS  93   3.031  -8.212   5.389
  683    HE2  HIS  93           HE2      HIS  93   2.760  -7.382   3.029
  684    H    LEU  94           HN       LEU  94   3.557  -1.800   3.991
  685    HA   LEU  94           HA       LEU  94   5.678  -3.482   3.005
  686    HB2  LEU  94           HB2      LEU  94   4.464  -0.954   1.869
  687    HB3  LEU  94           HB1      LEU  94   5.510  -2.068   1.006
  688    HG   LEU  94           HG       LEU  94   2.893  -2.948   2.195
  689   HD11  LEU  94          HD11      LEU  94   2.656  -1.040   0.546
  690   HD12  LEU  94          HD12      LEU  94   1.745  -2.517   0.236
  691   HD13  LEU  94          HD13      LEU  94   3.218  -2.187  -0.682
  692   HD21  LEU  94          HD21      LEU  94   4.557  -4.675   1.569
  693   HD22  LEU  94          HD22      LEU  94   4.545  -4.056  -0.089
  694   HD23  LEU  94          HD23      LEU  94   3.084  -4.766   0.604
  695    H    HIS  95           HN       HIS  95   5.506  -0.478   4.704
  696    HA   HIS  95           HA       HIS  95   8.114   0.484   3.880
  697    HB2  HIS  95           HB2      HIS  95   6.255   2.008   4.656
  698    HB3  HIS  95           HB1      HIS  95   6.429   1.318   6.261
  699    HD1  HIS  95           HD1      HIS  95   8.494   2.011   7.639
  700    HD2  HIS  95           HD2      HIS  95   8.252   3.846   3.916
  701    HE1  HIS  95           HE1      HIS  95  10.143   3.897   7.714
  702    HE2  HIS  95           HE2      HIS  95   9.760   5.147   5.569
  703    H    THR  96           HN       THR  96   6.733  -1.602   6.240
  704    HA   THR  96           HA       THR  96   9.047  -1.622   7.954
  705    HB   THR  96           HB       THR  96   6.275  -2.675   7.980
  706    HG1  THR  96           HG1      THR  96   7.830  -1.885  10.205
  707   HG21  THR  96          HG21      THR  96   8.409  -4.006   9.621
  708   HG22  THR  96          HG22      THR  96   7.622  -4.714   8.209
  709   HG23  THR  96          HG23      THR  96   6.678  -4.339   9.652
  710    H    ARG  97           HN       ARG  97   7.392  -3.620   5.559
  711    HA   ARG  97           HA       ARG  97   8.991  -5.899   5.836
  712    HB2  ARG  97           HB2      ARG  97   7.145  -4.893   3.735
  713    HB3  ARG  97           HB1      ARG  97   8.141  -6.308   3.409
  714    HG2  ARG  97           HG2      ARG  97   6.397  -6.030   5.814
  715    HG3  ARG  97           HG1      ARG  97   5.862  -6.803   4.321
  716    HD2  ARG  97           HD2      ARG  97   7.755  -8.375   4.519
  717    HD3  ARG  97           HD1      ARG  97   8.195  -7.634   6.050
  718    HE   ARG  97           HE       ARG  97   5.518  -8.495   6.156
  719   HH11  ARG  97          HH11      ARG  97   8.797  -9.720   6.175
  720   HH12  ARG  97          HH12      ARG  97   8.377 -11.199   6.982
  721   HH21  ARG  97          HH21      ARG  97   4.956 -10.443   7.223
  722   HH22  ARG  97          HH22      ARG  97   6.188 -11.611   7.576
  723    H    LEU  98           HN       LEU  98   9.627  -2.926   4.309
  724    HA   LEU  98           HA       LEU  98  11.635  -3.714   2.528
  725    HB2  LEU  98           HB2      LEU  98  10.917  -1.234   3.895
  726    HB3  LEU  98           HB1      LEU  98  12.596  -1.345   3.437
  727    HG   LEU  98           HG       LEU  98  12.003  -0.573   1.431
  728   HD11  LEU  98          HD11      LEU  98  10.439  -3.132   1.120
  729   HD12  LEU  98          HD12      LEU  98  12.177  -2.957   0.849
  730   HD13  LEU  98          HD13      LEU  98  11.033  -2.094  -0.177
  731   HD21  LEU  98          HD21      LEU  98   9.703  -0.246   0.756
  732   HD22  LEU  98          HD22      LEU  98   9.966   0.301   2.413
  733   HD23  LEU  98          HD23      LEU  98   9.161  -1.240   2.109
  734    H    THR  99           HN       THR  99  11.704  -3.182   5.980
  735    HA   THR  99           HA       THR  99  14.551  -3.910   6.070
  736    HB   THR  99           HB       THR  99  14.190  -1.839   7.102
  737    HG1  THR  99           HG1      THR  99  14.687  -2.256   9.314
  738   HG21  THR  99          HG21      THR  99  11.904  -3.047   8.629
  739   HG22  THR  99          HG22      THR  99  11.786  -1.887   7.302
  740   HG23  THR  99          HG23      THR  99  12.518  -1.407   8.837
  741    H    GLN 100           HN       GLN 100  11.698  -5.261   6.185
  742    HA   GLN 100           HA       GLN 100  12.504  -7.422   8.011
  743    HB2  GLN 100           HB2      GLN 100   9.716  -6.385   7.584
  744    HB3  GLN 100           HB1      GLN 100  10.150  -7.743   8.597
  745    HG2  GLN 100           HG2      GLN 100  11.494  -5.188   9.143
  746    HG3  GLN 100           HG1      GLN 100   9.786  -5.295   9.506
  747   HE21  GLN 100          HE21      GLN 100   9.919  -8.140  10.175
  748   HE22  GLN 100          HE22      GLN 100  10.686  -8.226  11.721
  749    H    SER 101           HN       SER 101  13.335  -7.898   5.638
  750    HA   SER 101           HA       SER 101  11.284  -9.539   4.329
  751    HB2  SER 101           HB2      SER 101  11.552  -7.394   3.129
  752    HB3  SER 101           HB1      SER 101  13.257  -7.763   2.875
  753    HG   SER 101           HG       SER 101  11.475  -8.345   1.208
  754    H    HIS 102           HN       HIS 102  12.885 -10.492   2.262
  755    HA   HIS 102           HA       HIS 102  14.754 -12.175   3.777
  756    HB2  HIS 102           HB2      HIS 102  13.364 -12.627   1.151
  757    HB3  HIS 102           HB1      HIS 102  14.586 -13.696   1.782
  758    HD1  HIS 102           HD1      HIS 102  13.609 -15.678   2.862
  759    HD2  HIS 102           HD2      HIS 102  11.157 -12.347   3.269
  760    HE1  HIS 102           HE1      HIS 102  11.579 -16.482   4.101
  761    HE2  HIS 102           HE2      HIS 102  10.027 -14.501   4.157
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   5.871 -10.141 -16.778
    2    H2   GLY   1           HT2      GLY   1   6.492 -11.704 -16.931
    3    H3   GLY   1           HT3      GLY   1   7.529 -10.372 -16.998
    4    HA2  GLY   1           HA1      GLY   1   5.955 -11.198 -14.628
    5    HA3  GLY   1           HA2      GLY   1   7.672 -11.498 -14.858
    6    H    ALA   2           HN       ALA   2   6.855 -10.144 -12.646
    7    HA   ALA   2           HA       ALA   2   7.289  -7.310 -13.204
    8    HB1  ALA   2           HB1      ALA   2   6.674  -8.698 -10.596
    9    HB2  ALA   2           HB2      ALA   2   5.501  -7.896 -11.642
   10    HB3  ALA   2           HB3      ALA   2   6.762  -6.954 -10.845
   11    H    ALA   3           HN       ALA   3   8.891 -10.116 -12.056
   12    HA   ALA   3           HA       ALA   3  11.012 -10.606 -11.454
   13    HB1  ALA   3           HB1      ALA   3  11.694  -9.238 -13.357
   14    HB2  ALA   3           HB2      ALA   3  12.832  -9.091 -12.018
   15    HB3  ALA   3           HB3      ALA   3  11.674  -7.801 -12.336
   16    H    SER   4           HN       SER   4  10.606  -7.198 -10.537
   17    HA   SER   4           HA       SER   4  10.289  -7.589  -7.819
   18    HB2  SER   4           HB2      SER   4  12.603  -8.469  -7.829
   19    HB3  SER   4           HB1      SER   4  13.159  -6.951  -8.527
   20    HG   SER   4           HG       SER   4  13.284  -7.247  -6.134
   21    H    ALA   5           HN       ALA   5   8.930  -5.872  -7.842
   22    HA   ALA   5           HA       ALA   5  10.040  -3.284  -8.612
   23    HB1  ALA   5           HB1      ALA   5   7.741  -3.768  -9.303
   24    HB2  ALA   5           HB2      ALA   5   7.805  -2.397  -8.196
   25    HB3  ALA   5           HB3      ALA   5   7.277  -3.976  -7.615
   26    H    ALA   6           HN       ALA   6  10.445  -5.232  -6.158
   27    HA   ALA   6           HA       ALA   6  10.050  -3.445  -3.922
   28    HB1  ALA   6           HB1      ALA   6   9.926  -5.819  -3.528
   29    HB2  ALA   6           HB2      ALA   6  11.349  -5.188  -2.698
   30    HB3  ALA   6           HB3      ALA   6  11.531  -6.062  -4.224
   31    H    THR   7           HN       THR   7  12.327  -4.083  -6.345
   32    HA   THR   7           HA       THR   7  14.411  -2.584  -4.971
   33    HB   THR   7           HB       THR   7  15.165  -4.576  -6.113
   34    HG1  THR   7           HG1      THR   7  16.562  -2.738  -6.112
   35   HG21  THR   7          HG21      THR   7  14.089  -3.304  -8.628
   36   HG22  THR   7          HG22      THR   7  13.459  -4.753  -7.839
   37   HG23  THR   7          HG23      THR   7  15.068  -4.770  -8.564
   38    H    ASP   8           HN       ASP   8  11.726  -2.065  -6.949
   39    HA   ASP   8           HA       ASP   8  12.788   0.368  -8.131
   40    HB2  ASP   8           HB2      ASP   8  10.499  -1.377  -8.617
   41    HB3  ASP   8           HB1      ASP   8  10.056   0.323  -8.515
   42    H    LEU   9           HN       LEU   9  10.631  -0.897  -5.721
   43    HA   LEU   9           HA       LEU   9   9.419   1.550  -5.017
   44    HB2  LEU   9           HB2      LEU   9   8.388  -0.482  -4.306
   45    HB3  LEU   9           HB1      LEU   9   9.837  -1.000  -3.475
   46    HG   LEU   9           HG       LEU   9   9.609   0.979  -1.976
   47   HD11  LEU   9          HD11      LEU   9   8.208   2.306  -3.511
   48   HD12  LEU   9          HD12      LEU   9   7.498   2.147  -1.892
   49   HD13  LEU   9          HD13      LEU   9   6.870   1.172  -3.225
   50   HD21  LEU   9          HD21      LEU   9   7.318  -0.963  -1.950
   51   HD22  LEU   9          HD22      LEU   9   7.952  -0.057  -0.579
   52   HD23  LEU   9          HD23      LEU   9   8.945  -1.284  -1.362
   53    H    ALA  10           HN       ALA  10  11.835  -0.425  -3.439
   54    HA   ALA  10           HA       ALA  10  12.859   1.428  -1.628
   55    HB1  ALA  10           HB1      ALA  10  14.485  -0.628  -3.137
   56    HB2  ALA  10           HB2      ALA  10  13.484  -0.979  -1.730
   57    HB3  ALA  10           HB3      ALA  10  14.873   0.097  -1.575
   58    H    ALA  11           HN       ALA  11  12.916   1.688  -5.012
   59    HA   ALA  11           HA       ALA  11  15.395   3.151  -5.184
   60    HB1  ALA  11           HB1      ALA  11  14.743   1.887  -7.103
   61    HB2  ALA  11           HB2      ALA  11  14.643   3.601  -7.511
   62    HB3  ALA  11           HB3      ALA  11  13.171   2.688  -7.153
   63    H    ARG  12           HN       ARG  12  11.869   3.854  -5.203
   64    HA   ARG  12           HA       ARG  12  12.074   6.655  -5.248
   65    HB2  ARG  12           HB2      ARG  12  10.072   4.680  -4.222
   66    HB3  ARG  12           HB1      ARG  12   9.841   6.382  -3.907
   67    HG2  ARG  12           HG2      ARG  12   8.540   5.986  -5.758
   68    HG3  ARG  12           HG1      ARG  12  10.027   6.626  -6.451
   69    HD2  ARG  12           HD2      ARG  12   9.866   3.712  -6.082
   70    HD3  ARG  12           HD1      ARG  12   8.837   4.411  -7.341
   71    HE   ARG  12           HE       ARG  12  11.566   5.318  -7.464
   72   HH11  ARG  12          HH11      ARG  12   9.359   2.791  -8.464
   73   HH12  ARG  12          HH12      ARG  12  10.316   2.321  -9.837
   74   HH21  ARG  12          HH21      ARG  12  12.802   4.738  -9.282
   75   HH22  ARG  12          HH22      ARG  12  12.267   3.447 -10.312
   76    H    LEU  13           HN       LEU  13  12.564   4.285  -2.801
   77    HA   LEU  13           HA       LEU  13  12.146   6.102  -0.591
   78    HB2  LEU  13           HB2      LEU  13  12.722   3.192  -0.871
   79    HB3  LEU  13           HB1      LEU  13  12.906   3.968   0.685
   80    HG   LEU  13           HG       LEU  13  10.570   4.453   0.823
   81   HD11  LEU  13          HD11      LEU  13   9.958   5.213  -1.265
   82   HD12  LEU  13          HD12      LEU  13   9.026   3.732  -1.022
   83   HD13  LEU  13          HD13      LEU  13  10.467   3.715  -2.053
   84   HD21  LEU  13          HD21      LEU  13   9.553   2.258   0.698
   85   HD22  LEU  13          HD22      LEU  13  11.179   2.169   1.377
   86   HD23  LEU  13          HD23      LEU  13  10.896   1.690  -0.296
   87    H    ASN  14           HN       ASN  14  14.733   4.205  -1.960
   88    HA   ASN  14           HA       ASN  14  16.841   4.912  -0.335
   89    HB2  ASN  14           HB2      ASN  14  16.463   4.017  -3.111
   90    HB3  ASN  14           HB1      ASN  14  18.040   4.746  -2.759
   91   HD21  ASN  14          HD21      ASN  14  17.486   2.046  -3.499
   92   HD22  ASN  14          HD22      ASN  14  17.985   1.031  -2.191
   93    H    GLY  15           HN       GLY  15  17.910   6.709   0.072
   94    HA2  GLY  15           HA2      GLY  15  18.940   8.762  -0.479
   95    HA3  GLY  15           HA1      GLY  15  17.882   8.896  -1.876
   96    H    LEU  16           HN       LEU  16  15.733   7.985   0.201
   97    HA   LEU  16           HA       LEU  16  15.072  10.740   0.942
   98    HB2  LEU  16           HB2      LEU  16  13.463   8.339   0.222
   99    HB3  LEU  16           HB1      LEU  16  12.745   9.542   1.265
  100    HG   LEU  16           HG       LEU  16  12.055   9.977  -0.984
  101   HD11  LEU  16          HD11      LEU  16  12.707  11.839   0.561
  102   HD12  LEU  16          HD12      LEU  16  12.678  12.241  -1.160
  103   HD13  LEU  16          HD13      LEU  16  14.216  11.948  -0.347
  104   HD21  LEU  16          HD21      LEU  16  14.988  10.063  -1.693
  105   HD22  LEU  16          HD22      LEU  16  13.654  10.467  -2.773
  106   HD23  LEU  16          HD23      LEU  16  13.839   8.817  -2.178
  107    H    SER  17           HN       SER  17  13.853  11.055   2.925
  108    HA   SER  17           HA       SER  17  15.023   9.689   5.173
  109    HB2  SER  17           HB2      SER  17  13.730  11.288   6.490
  110    HB3  SER  17           HB1      SER  17  14.509  12.130   5.154
  111    HG   SER  17           HG       SER  17  12.272  12.688   5.462
  112    HA   PRO  18           HA       PRO  18  12.092   6.550   6.095
  113    HB2  PRO  18           HB2      PRO  18  11.476   7.995   8.642
  114    HB3  PRO  18           HB1      PRO  18  11.876   6.289   8.384
  115    HG2  PRO  18           HG2      PRO  18  13.734   7.901   9.329
  116    HG3  PRO  18           HG1      PRO  18  14.153   6.755   8.042
  117    HD2  PRO  18           HD2      PRO  18  13.629   9.689   7.847
  118    HD3  PRO  18           HD1      PRO  18  14.878   8.709   7.050
  119    H    GLN  19           HN       GLN  19  10.886   9.759   7.061
  120    HA   GLN  19           HA       GLN  19   8.126   9.142   6.712
  121    HB2  GLN  19           HB2      GLN  19   8.960  11.036   8.080
  122    HB3  GLN  19           HB1      GLN  19   9.476  11.839   6.605
  123    HG2  GLN  19           HG2      GLN  19   7.022  11.558   5.878
  124    HG3  GLN  19           HG1      GLN  19   6.715  11.313   7.594
  125   HE21  GLN  19          HE21      GLN  19   7.718  13.574   5.161
  126   HE22  GLN  19          HE22      GLN  19   7.591  14.996   6.139
  127    H    GLN  20           HN       GLN  20  10.613  10.397   4.530
  128    HA   GLN  20           HA       GLN  20   8.762  11.161   2.471
  129    HB2  GLN  20           HB2      GLN  20  11.744  10.655   2.480
  130    HB3  GLN  20           HB1      GLN  20  10.861  11.143   1.034
  131    HG2  GLN  20           HG2      GLN  20  11.096  12.704   3.585
  132    HG3  GLN  20           HG1      GLN  20  11.955  13.030   2.089
  133   HE21  GLN  20          HE21      GLN  20  10.051  14.624   3.688
  134   HE22  GLN  20          HE22      GLN  20   8.806  15.092   2.583
  135    H    GLN  21           HN       GLN  21  10.914   8.446   3.083
  136    HA   GLN  21           HA       GLN  21  10.266   6.797   0.947
  137    HB2  GLN  21           HB2      GLN  21  10.957   6.152   3.817
  138    HB3  GLN  21           HB1      GLN  21  10.895   4.946   2.544
  139    HG2  GLN  21           HG2      GLN  21  12.661   6.073   1.350
  140    HG3  GLN  21           HG1      GLN  21  12.702   7.358   2.559
  141   HE21  GLN  21          HE21      GLN  21  13.606   6.913   4.578
  142   HE22  GLN  21          HE22      GLN  21  14.585   5.518   4.870
  143    H    GLN  22           HN       GLN  22   8.725   7.267   4.042
  144    HA   GLN  22           HA       GLN  22   6.665   5.405   3.831
  145    HB2  GLN  22           HB2      GLN  22   7.256   6.559   5.891
  146    HB3  GLN  22           HB1      GLN  22   6.750   8.072   5.195
  147    HG2  GLN  22           HG2      GLN  22   4.456   6.874   4.975
  148    HG3  GLN  22           HG1      GLN  22   5.168   5.824   6.192
  149   HE21  GLN  22          HE21      GLN  22   2.903   7.671   6.398
  150   HE22  GLN  22          HE22      GLN  22   3.297   8.736   7.701
  151    H    GLN  23           HN       GLN  23   6.766   8.833   2.961
  152    HA   GLN  23           HA       GLN  23   4.216   9.232   2.057
  153    HB2  GLN  23           HB2      GLN  23   6.781  10.348   1.088
  154    HB3  GLN  23           HB1      GLN  23   5.216  10.970   0.583
  155    HG2  GLN  23           HG2      GLN  23   4.664  11.478   2.886
  156    HG3  GLN  23           HG1      GLN  23   6.201  10.835   3.410
  157   HE21  GLN  23          HE21      GLN  23   5.850  12.695   0.488
  158   HE22  GLN  23          HE22      GLN  23   6.682  14.101   1.048
  159    H    THR  24           HN       THR  24   6.911   7.862   0.224
  160    HA   THR  24           HA       THR  24   5.689   7.866  -2.301
  161    HB   THR  24           HB       THR  24   7.818   6.242  -0.989
  162    HG1  THR  24           HG1      THR  24   8.140   8.388  -1.923
  163   HG21  THR  24          HG21      THR  24   6.812   5.750  -3.799
  164   HG22  THR  24          HG22      THR  24   6.544   4.667  -2.433
  165   HG23  THR  24          HG23      THR  24   8.185   4.957  -3.022
  166    H    LEU  25           HN       LEU  25   5.610   5.443   0.302
  167    HA   LEU  25           HA       LEU  25   3.763   3.719  -1.117
  168    HB2  LEU  25           HB2      LEU  25   4.399   3.926   1.810
  169    HB3  LEU  25           HB1      LEU  25   3.521   2.617   1.054
  170    HG   LEU  25           HG       LEU  25   6.304   3.219   0.164
  171   HD11  LEU  25          HD11      LEU  25   6.291   3.180   2.637
  172   HD12  LEU  25          HD12      LEU  25   7.197   1.844   1.920
  173   HD13  LEU  25          HD13      LEU  25   5.583   1.563   2.578
  174   HD21  LEU  25          HD21      LEU  25   4.636   0.716   0.412
  175   HD22  LEU  25          HD22      LEU  25   6.289   0.781  -0.192
  176   HD23  LEU  25          HD23      LEU  25   4.997   1.591  -1.076
  177    H    ALA  26           HN       ALA  26   3.656   6.168   1.373
  178    HA   ALA  26           HA       ALA  26   0.874   6.076   1.869
  179    HB1  ALA  26           HB1      ALA  26   2.644   8.471   2.302
  180    HB2  ALA  26           HB2      ALA  26   2.790   7.022   3.293
  181    HB3  ALA  26           HB3      ALA  26   1.271   7.930   3.272
  182    H    THR  27           HN       THR  27   2.239   6.726  -0.888
  183    HA   THR  27           HA       THR  27   0.148   8.587  -1.738
  184    HB   THR  27           HB       THR  27   3.037   8.371  -2.525
  185    HG1  THR  27           HG1      THR  27   2.708  10.034  -1.175
  186   HG21  THR  27          HG21      THR  27   0.890   9.575  -4.269
  187   HG22  THR  27          HG22      THR  27   1.821   8.115  -4.616
  188   HG23  THR  27          HG23      THR  27   2.633   9.680  -4.538
  189    H    LEU  28           HN       LEU  28   2.309   5.973  -2.646
  190    HA   LEU  28           HA       LEU  28   0.999   5.166  -4.973
  191    HB2  LEU  28           HB2      LEU  28   3.177   4.470  -4.885
  192    HB3  LEU  28           HB1      LEU  28   3.068   4.059  -3.189
  193    HG   LEU  28           HG       LEU  28   1.362   2.274  -4.146
  194   HD11  LEU  28          HD11      LEU  28   1.666   2.970  -6.454
  195   HD12  LEU  28          HD12      LEU  28   2.182   1.299  -6.204
  196   HD13  LEU  28          HD13      LEU  28   3.385   2.589  -6.341
  197   HD21  LEU  28          HD21      LEU  28   3.341   0.686  -4.180
  198   HD22  LEU  28          HD22      LEU  28   3.022   1.605  -2.698
  199   HD23  LEU  28          HD23      LEU  28   4.318   2.110  -3.794
  200    H    VAL  29           HN       VAL  29   0.919   4.038  -1.679
  201    HA   VAL  29           HA       VAL  29  -0.718   1.785  -2.134
  202    HB   VAL  29           HB       VAL  29  -0.120   3.403   0.336
  203   HG11  VAL  29          HG11      VAL  29  -1.242   1.762   1.673
  204   HG12  VAL  29          HG12      VAL  29  -1.582   0.765   0.259
  205   HG13  VAL  29          HG13      VAL  29  -2.385   2.325   0.449
  206   HG21  VAL  29          HG21      VAL  29   1.683   2.068  -0.719
  207   HG22  VAL  29          HG22      VAL  29   0.710   0.618  -0.466
  208   HG23  VAL  29          HG23      VAL  29   1.285   1.545   0.919
  209    H    ALA  30           HN       ALA  30  -1.309   5.120  -1.441
  210    HA   ALA  30           HA       ALA  30  -4.145   4.802  -1.159
  211    HB1  ALA  30           HB1      ALA  30  -3.156   6.545   0.079
  212    HB2  ALA  30           HB2      ALA  30  -4.073   7.306  -1.224
  213    HB3  ALA  30           HB3      ALA  30  -2.322   7.159  -1.343
  214    H    ALA  31           HN       ALA  31  -1.851   5.679  -3.598
  215    HA   ALA  31           HA       ALA  31  -3.620   6.453  -5.641
  216    HB1  ALA  31           HB1      ALA  31  -1.296   6.893  -5.912
  217    HB2  ALA  31           HB2      ALA  31  -1.702   5.683  -7.134
  218    HB3  ALA  31           HB3      ALA  31  -0.874   5.204  -5.645
  219    H    ALA  32           HN       ALA  32  -2.260   3.406  -4.632
  220    HA   ALA  32           HA       ALA  32  -3.512   1.631  -6.340
  221    HB1  ALA  32           HB1      ALA  32  -2.639   1.468  -3.476
  222    HB2  ALA  32           HB2      ALA  32  -1.821   0.845  -4.911
  223    HB3  ALA  32           HB3      ALA  32  -3.301   0.074  -4.334
  224    H    THR  33           HN       THR  33  -4.674   2.933  -3.200
  225    HA   THR  33           HA       THR  33  -7.187   1.546  -3.487
  226    HB   THR  33           HB       THR  33  -6.624   3.829  -1.590
  227    HG1  THR  33           HG1      THR  33  -4.996   2.133  -1.448
  228   HG21  THR  33          HG21      THR  33  -8.925   3.219  -1.614
  229   HG22  THR  33          HG22      THR  33  -8.226   2.472  -0.174
  230   HG23  THR  33          HG23      THR  33  -8.539   1.499  -1.616
  231    H    ALA  34           HN       ALA  34  -5.903   4.621  -4.449
  232    HA   ALA  34           HA       ALA  34  -8.344   5.925  -4.973
  233    HB1  ALA  34           HB1      ALA  34  -6.205   7.116  -4.971
  234    HB2  ALA  34           HB2      ALA  34  -7.039   7.332  -6.514
  235    HB3  ALA  34           HB3      ALA  34  -5.685   6.206  -6.391
  236    H    THR  35           HN       THR  35  -6.424   3.572  -6.659
  237    HA   THR  35           HA       THR  35  -7.820   3.533  -9.103
  238    HB   THR  35           HB       THR  35  -5.870   1.812  -7.666
  239    HG1  THR  35           HG1      THR  35  -5.639   3.612  -9.439
  240   HG21  THR  35          HG21      THR  35  -6.042   0.016  -9.256
  241   HG22  THR  35          HG22      THR  35  -7.363   0.839 -10.086
  242   HG23  THR  35          HG23      THR  35  -7.591   0.252  -8.434
  243    H    VAL  36           HN       VAL  36  -7.988   1.467  -6.197
  244    HA   VAL  36           HA       VAL  36  -9.786  -0.400  -7.195
  245    HB   VAL  36           HB       VAL  36 -10.275  -0.934  -4.808
  246   HG11  VAL  36          HG11      VAL  36  -7.892  -1.518  -4.227
  247   HG12  VAL  36          HG12      VAL  36  -7.463  -0.765  -5.766
  248   HG13  VAL  36          HG13      VAL  36  -8.547  -2.161  -5.729
  249   HG21  VAL  36          HG21      VAL  36  -8.770   1.548  -4.404
  250   HG22  VAL  36          HG22      VAL  36  -8.573   0.235  -3.246
  251   HG23  VAL  36          HG23      VAL  36 -10.171   0.913  -3.542
  252    H    LEU  37           HN       LEU  37 -10.414   2.749  -5.804
  253    HA   LEU  37           HA       LEU  37 -13.256   2.112  -5.527
  254    HB2  LEU  37           HB2      LEU  37 -11.884   4.674  -4.784
  255    HB3  LEU  37           HB1      LEU  37 -13.416   4.061  -4.196
  256    HG   LEU  37           HG       LEU  37 -10.763   2.755  -3.644
  257   HD11  LEU  37          HD11      LEU  37 -10.918   3.743  -1.436
  258   HD12  LEU  37          HD12      LEU  37 -12.369   4.619  -1.922
  259   HD13  LEU  37          HD13      LEU  37 -10.821   4.972  -2.693
  260   HD21  LEU  37          HD21      LEU  37 -12.030   1.582  -1.904
  261   HD22  LEU  37          HD22      LEU  37 -12.663   1.257  -3.518
  262   HD23  LEU  37          HD23      LEU  37 -13.502   2.384  -2.455
  263    H    GLY  38           HN       GLY  38 -11.515   2.949  -8.068
  264    HA2  GLY  38           HA2      GLY  38 -12.184   3.831 -10.095
  265    HA3  GLY  38           HA1      GLY  38 -13.745   4.187  -9.375
  266    H    HIS  39           HN       HIS  39 -10.856   5.369  -7.886
  267    HA   HIS  39           HA       HIS  39 -11.508   8.091  -8.806
  268    HB2  HIS  39           HB2      HIS  39 -10.076   7.095  -6.331
  269    HB3  HIS  39           HB1      HIS  39 -10.037   8.779  -6.832
  270    HD1  HIS  39           HD1      HIS  39 -11.627  10.121  -5.513
  271    HD2  HIS  39           HD2      HIS  39 -13.058   6.274  -6.190
  272    HE1  HIS  39           HE1      HIS  39 -13.856  10.015  -4.359
  273    HE2  HIS  39           HE2      HIS  39 -14.657   7.654  -4.698
  274    H    HIS  40           HN       HIS  40  -9.170   9.383  -8.423
  275    HA   HIS  40           HA       HIS  40  -7.175   7.831  -9.920
  276    HB2  HIS  40           HB2      HIS  40  -8.416   9.523 -11.348
  277    HB3  HIS  40           HB1      HIS  40  -7.682  10.774 -10.353
  278    HD1  HIS  40           HD1      HIS  40  -7.064  10.823 -13.298
  279    HD2  HIS  40           HD2      HIS  40  -4.767   8.689 -10.564
  280    HE1  HIS  40           HE1      HIS  40  -4.807  10.539 -14.374
  281    HE2  HIS  40           HE2      HIS  40  -3.406   9.342 -12.664
  282    H    THR  41           HN       THR  41  -7.718  10.704  -7.852
  283    HA   THR  41           HA       THR  41  -4.883  10.685  -7.267
  284    HB   THR  41           HB       THR  41  -5.916  12.850  -7.731
  285    HG1  THR  41           HG1      THR  41  -4.450  13.650  -6.457
  286   HG21  THR  41          HG21      THR  41  -7.338  13.913  -6.053
  287   HG22  THR  41          HG22      THR  41  -7.325  12.424  -5.112
  288   HG23  THR  41          HG23      THR  41  -8.106  12.460  -6.692
  289    HA   PRO  42           HA       PRO  42  -5.135   8.668  -3.329
  290    HB2  PRO  42           HB2      PRO  42  -2.687  10.147  -2.716
  291    HB3  PRO  42           HB1      PRO  42  -2.918   8.411  -2.920
  292    HG2  PRO  42           HG2      PRO  42  -1.571   9.930  -4.709
  293    HG3  PRO  42           HG1      PRO  42  -2.484   8.479  -5.152
  294    HD2  PRO  42           HD2      PRO  42  -3.250  11.352  -5.502
  295    HD3  PRO  42           HD1      PRO  42  -3.527   9.944  -6.548
  296    H    GLU  43           HN       GLU  43  -5.091  12.038  -3.898
  297    HA   GLU  43           HA       GLU  43  -4.995  12.991  -1.249
  298    HB2  GLU  43           HB2      GLU  43  -6.120  14.165  -3.769
  299    HB3  GLU  43           HB1      GLU  43  -6.175  15.021  -2.232
  300    HG2  GLU  43           HG2      GLU  43  -3.738  14.861  -2.084
  301    HG3  GLU  43           HG1      GLU  43  -3.722  14.042  -3.641
  302    H    SER  44           HN       SER  44  -7.586  11.644  -3.136
  303    HA   SER  44           HA       SER  44  -9.638  12.381  -1.249
  304    HB2  SER  44           HB2      SER  44 -10.168  12.083  -3.633
  305    HB3  SER  44           HB1      SER  44  -9.681  10.399  -3.517
  306    HG   SER  44           HG       SER  44 -11.716  11.478  -1.882
  307    H    ILE  45           HN       ILE  45  -7.281  10.002  -1.580
  308    HA   ILE  45           HA       ILE  45  -8.643   7.995   0.020
  309    HB   ILE  45           HB       ILE  45  -5.828   7.932  -1.035
  310   HG12  ILE  45          HG12      ILE  45  -7.320   8.258  -2.912
  311   HG13  ILE  45          HG11      ILE  45  -6.745   6.599  -2.901
  312   HG21  ILE  45          HG21      ILE  45  -7.638   5.626  -0.365
  313   HG22  ILE  45          HG22      ILE  45  -6.516   6.340   0.795
  314   HG23  ILE  45          HG23      ILE  45  -5.898   5.593  -0.683
  315   HD11  ILE  45          HD11      ILE  45  -8.846   5.835  -2.006
  316   HD12  ILE  45          HD12      ILE  45  -9.107   6.775  -3.476
  317   HD13  ILE  45          HD13      ILE  45  -9.429   7.497  -1.901
  318    H    SER  46           HN       SER  46  -8.758   9.308   1.949
  319    HA   SER  46           HA       SER  46  -6.475  10.299   3.274
  320    HB2  SER  46           HB2      SER  46  -8.959   9.364   4.673
  321    HB3  SER  46           HB1      SER  46  -7.889  10.682   5.121
  322    HG   SER  46           HG       SER  46  -8.930  11.975   3.836
  323    HA   PRO  47           HA       PRO  47  -4.747   6.530   4.593
  324    HB2  PRO  47           HB2      PRO  47  -2.894   7.397   6.269
  325    HB3  PRO  47           HB1      PRO  47  -2.891   7.963   4.598
  326    HG2  PRO  47           HG2      PRO  47  -3.800   9.361   7.064
  327    HG3  PRO  47           HG1      PRO  47  -2.975  10.018   5.647
  328    HD2  PRO  47           HD2      PRO  47  -5.752  10.066   6.164
  329    HD3  PRO  47           HD1      PRO  47  -4.958  10.471   4.620
  330    H    ALA  48           HN       ALA  48  -6.734   8.247   6.522
  331    HA   ALA  48           HA       ALA  48  -6.388   6.458   8.790
  332    HB1  ALA  48           HB1      ALA  48  -6.713   8.287  10.276
  333    HB2  ALA  48           HB2      ALA  48  -7.109   9.359   8.931
  334    HB3  ALA  48           HB3      ALA  48  -5.468   8.728   9.099
  335    H    THR  49           HN       THR  49  -8.381   7.265   6.350
  336    HA   THR  49           HA       THR  49 -10.920   7.353   7.582
  337    HB   THR  49           HB       THR  49  -9.949   6.699   4.813
  338    HG1  THR  49           HG1      THR  49 -11.495   8.676   4.602
  339   HG21  THR  49          HG21      THR  49 -12.268   6.631   4.065
  340   HG22  THR  49          HG22      THR  49 -12.811   6.746   5.740
  341   HG23  THR  49          HG23      THR  49 -11.901   5.333   5.201
  342    H    ALA  50           HN       ALA  50  -8.987   4.830   6.143
  343    HA   ALA  50           HA       ALA  50  -8.790   2.590   6.738
  344    HB1  ALA  50           HB1      ALA  50 -10.648   1.313   7.709
  345    HB2  ALA  50           HB2      ALA  50 -11.626   2.784   7.737
  346    HB3  ALA  50           HB3      ALA  50 -10.167   2.676   8.726
  347    H    PHE  51           HN       PHE  51  -8.940   1.048   5.359
  348    HA   PHE  51           HA       PHE  51  -9.914   1.433   2.796
  349    HB2  PHE  51           HB2      PHE  51  -9.250  -1.082   4.298
  350    HB3  PHE  51           HB1      PHE  51  -9.591  -1.053   2.567
  351    HD1  PHE  51           HD1      PHE  51  -8.305   1.244   1.574
  352    HD2  PHE  51           HD2      PHE  51  -7.035  -1.381   4.650
  353    HE1  PHE  51           HE1      PHE  51  -5.978   1.886   1.138
  354    HE2  PHE  51           HE2      PHE  51  -4.705  -0.753   4.233
  355    HZ   PHE  51           HZ       PHE  51  -4.167   0.883   2.467
  356    H    LYS  52           HN       LYS  52 -11.325  -0.450   5.423
  357    HA   LYS  52           HA       LYS  52 -13.600  -1.380   4.205
  358    HB2  LYS  52           HB2      LYS  52 -13.198  -0.311   7.005
  359    HB3  LYS  52           HB1      LYS  52 -14.598  -1.253   6.497
  360    HG2  LYS  52           HG2      LYS  52 -13.010  -3.079   5.864
  361    HG3  LYS  52           HG1      LYS  52 -11.722  -2.124   6.587
  362    HD2  LYS  52           HD2      LYS  52 -14.178  -3.084   8.024
  363    HD3  LYS  52           HD1      LYS  52 -12.609  -3.880   8.091
  364    HE2  LYS  52           HE2      LYS  52 -11.659  -1.773   9.005
  365    HE3  LYS  52           HE1      LYS  52 -13.293  -1.111   9.037
  366    HZ1  LYS  52           HZ1      LYS  52 -12.583  -2.013  11.189
  367    HZ2  LYS  52           HZ2      LYS  52 -12.444  -3.549  10.495
  368    HZ3  LYS  52           HZ3      LYS  52 -13.956  -2.792  10.583
  369    H    ASP  53           HN       ASP  53 -12.919   1.717   5.669
  370    HA   ASP  53           HA       ASP  53 -15.571   2.727   5.310
  371    HB2  ASP  53           HB2      ASP  53 -12.995   4.056   6.201
  372    HB3  ASP  53           HB1      ASP  53 -14.566   4.860   6.179
  373    H    LEU  54           HN       LEU  54 -13.028   2.264   3.293
  374    HA   LEU  54           HA       LEU  54 -13.357   4.698   1.716
  375    HB2  LEU  54           HB2      LEU  54 -11.324   2.530   1.875
  376    HB3  LEU  54           HB1      LEU  54 -11.449   3.437   0.387
  377    HG   LEU  54           HG       LEU  54 -11.057   4.755   3.072
  378   HD11  LEU  54          HD11      LEU  54  -9.194   3.268   2.765
  379   HD12  LEU  54          HD12      LEU  54  -8.676   4.927   2.454
  380   HD13  LEU  54          HD13      LEU  54  -8.976   3.829   1.107
  381   HD21  LEU  54          HD21      LEU  54 -10.210   6.586   1.679
  382   HD22  LEU  54          HD22      LEU  54 -11.887   6.186   1.309
  383   HD23  LEU  54          HD23      LEU  54 -10.595   5.645   0.239
  384    H    GLY  55           HN       GLY  55 -14.114   1.312   1.675
  385    HA2  GLY  55           HA2      GLY  55 -15.993   0.810   0.087
  386    HA3  GLY  55           HA1      GLY  55 -14.990   1.578  -1.135
  387    H    ILE  56           HN       ILE  56 -12.858   0.108   0.794
  388    HA   ILE  56           HA       ILE  56 -12.260  -2.033  -0.929
  389    HB   ILE  56           HB       ILE  56 -11.456  -1.453   1.910
  390   HG12  ILE  56          HG12      ILE  56 -10.185  -0.011   0.717
  391   HG13  ILE  56          HG11      ILE  56  -9.168  -1.428   0.586
  392   HG21  ILE  56          HG21      ILE  56 -11.297  -3.712   1.972
  393   HG22  ILE  56          HG22      ILE  56  -9.685  -3.241   1.409
  394   HG23  ILE  56          HG23      ILE  56 -10.884  -3.838   0.261
  395   HD11  ILE  56          HD11      ILE  56 -10.224  -1.910  -1.609
  396   HD12  ILE  56          HD12      ILE  56  -9.289  -0.418  -1.543
  397   HD13  ILE  56          HD13      ILE  56 -11.049  -0.351  -1.481
  398    H    ASP  57           HN       ASP  57 -13.185  -3.970  -1.128
  399    HA   ASP  57           HA       ASP  57 -14.604  -5.160   1.108
  400    HB2  ASP  57           HB2      ASP  57 -16.193  -3.578  -0.130
  401    HB3  ASP  57           HB1      ASP  57 -16.108  -4.718  -1.469
  402    H    SER  58           HN       SER  58 -12.744  -6.563   0.704
  403    HA   SER  58           HA       SER  58 -11.921  -8.584   0.120
  404    HB2  SER  58           HB2      SER  58 -14.501  -9.014  -1.314
  405    HB3  SER  58           HB1      SER  58 -13.353 -10.262  -0.865
  406    HG   SER  58           HG       SER  58 -15.084  -8.754   0.762
  407    H    LEU  59           HN       LEU  59 -13.793  -7.683  -2.755
  408    HA   LEU  59           HA       LEU  59 -11.950  -8.694  -4.629
  409    HB2  LEU  59           HB2      LEU  59 -14.038  -6.536  -4.878
  410    HB3  LEU  59           HB1      LEU  59 -13.134  -7.163  -6.229
  411    HG   LEU  59           HG       LEU  59 -14.166  -9.356  -5.953
  412   HD11  LEU  59          HD11      LEU  59 -15.983  -9.717  -4.376
  413   HD12  LEU  59          HD12      LEU  59 -15.715  -8.112  -3.694
  414   HD13  LEU  59          HD13      LEU  59 -14.472  -9.355  -3.539
  415   HD21  LEU  59          HD21      LEU  59 -16.073  -7.035  -6.021
  416   HD22  LEU  59          HD22      LEU  59 -16.488  -8.682  -6.502
  417   HD23  LEU  59          HD23      LEU  59 -15.257  -7.785  -7.393
  418    H    THR  60           HN       THR  60 -12.574  -5.426  -3.472
  419    HA   THR  60           HA       THR  60 -10.401  -4.361  -5.034
  420    HB   THR  60           HB       THR  60 -10.989  -2.270  -3.574
  421    HG1  THR  60           HG1      THR  60 -13.574  -3.208  -3.492
  422   HG21  THR  60          HG21      THR  60 -11.344  -2.541  -5.996
  423   HG22  THR  60          HG22      THR  60 -12.666  -1.657  -5.222
  424   HG23  THR  60          HG23      THR  60 -12.878  -3.352  -5.665
  425    H    ALA  61           HN       ALA  61 -10.819  -5.802  -2.027
  426    HA   ALA  61           HA       ALA  61  -8.534  -4.591  -0.759
  427    HB1  ALA  61           HB1      ALA  61 -10.405  -5.649   0.512
  428    HB2  ALA  61           HB2      ALA  61  -8.798  -6.223   0.961
  429    HB3  ALA  61           HB3      ALA  61  -9.840  -7.220  -0.061
  430    H    LEU  62           HN       LEU  62  -9.238  -7.483  -2.663
  431    HA   LEU  62           HA       LEU  62  -6.562  -8.450  -2.601
  432    HB2  LEU  62           HB2      LEU  62  -8.890  -9.590  -3.193
  433    HB3  LEU  62           HB1      LEU  62  -8.436  -9.094  -4.802
  434    HG   LEU  62           HG       LEU  62  -7.562 -11.188  -4.848
  435   HD11  LEU  62          HD11      LEU  62  -5.186 -11.237  -4.364
  436   HD12  LEU  62          HD12      LEU  62  -5.339  -9.775  -3.386
  437   HD13  LEU  62          HD13      LEU  62  -5.647  -9.712  -5.121
  438   HD21  LEU  62          HD21      LEU  62  -6.724 -12.384  -2.863
  439   HD22  LEU  62          HD22      LEU  62  -8.393 -11.842  -2.691
  440   HD23  LEU  62          HD23      LEU  62  -7.092 -10.962  -1.889
  441    H    GLU  63           HN       GLU  63  -8.516  -6.523  -4.923
  442    HA   GLU  63           HA       GLU  63  -6.506  -6.315  -6.869
  443    HB2  GLU  63           HB2      GLU  63  -8.623  -5.785  -7.635
  444    HB3  GLU  63           HB1      GLU  63  -9.067  -4.969  -6.145
  445    HG2  GLU  63           HG2      GLU  63  -8.960  -3.306  -7.764
  446    HG3  GLU  63           HG1      GLU  63  -7.497  -3.179  -6.787
  447    H    LEU  64           HN       LEU  64  -7.302  -4.468  -3.949
  448    HA   LEU  64           HA       LEU  64  -5.386  -2.453  -4.142
  449    HB2  LEU  64           HB2      LEU  64  -7.059  -3.503  -2.108
  450    HB3  LEU  64           HB1      LEU  64  -5.413  -3.604  -1.498
  451    HG   LEU  64           HG       LEU  64  -6.831  -1.111  -2.411
  452   HD11  LEU  64          HD11      LEU  64  -5.793  -1.956   0.298
  453   HD12  LEU  64          HD12      LEU  64  -7.489  -1.982  -0.193
  454   HD13  LEU  64          HD13      LEU  64  -6.622  -0.444  -0.086
  455   HD21  LEU  64          HD21      LEU  64  -4.451  -1.137  -3.054
  456   HD22  LEU  64          HD22      LEU  64  -4.028  -1.461  -1.374
  457   HD23  LEU  64          HD23      LEU  64  -4.801   0.065  -1.808
  458    H    ARG  65           HN       ARG  65  -5.277  -5.685  -2.975
  459    HA   ARG  65           HA       ARG  65  -2.633  -5.799  -2.061
  460    HB2  ARG  65           HB2      ARG  65  -4.274  -7.436  -1.359
  461    HB3  ARG  65           HB1      ARG  65  -4.489  -7.993  -3.015
  462    HG2  ARG  65           HG2      ARG  65  -1.800  -8.183  -1.702
  463    HG3  ARG  65           HG1      ARG  65  -3.051  -9.369  -1.334
  464    HD2  ARG  65           HD2      ARG  65  -3.217  -9.983  -3.661
  465    HD3  ARG  65           HD1      ARG  65  -2.096  -8.703  -4.118
  466    HE   ARG  65           HE       ARG  65  -0.933 -10.504  -2.241
  467   HH11  ARG  65          HH11      ARG  65  -1.731 -10.132  -5.636
  468   HH12  ARG  65          HH12      ARG  65  -0.472 -11.195  -6.172
  469   HH21  ARG  65          HH21      ARG  65   0.690 -11.925  -2.944
  470   HH22  ARG  65          HH22      ARG  65   0.897 -12.232  -4.638
  471    H    ASN  66           HN       ASN  66  -4.087  -6.871  -5.046
  472    HA   ASN  66           HA       ASN  66  -1.839  -7.825  -6.341
  473    HB2  ASN  66           HB2      ASN  66  -4.505  -6.803  -7.219
  474    HB3  ASN  66           HB1      ASN  66  -3.304  -7.200  -8.433
  475   HD21  ASN  66          HD21      ASN  66  -5.877  -8.479  -7.800
  476   HD22  ASN  66          HD22      ASN  66  -5.505 -10.134  -7.477
  477    H    THR  67           HN       THR  67  -3.033  -4.488  -6.110
  478    HA   THR  67           HA       THR  67  -1.025  -3.535  -7.933
  479    HB   THR  67           HB       THR  67  -2.744  -2.023  -5.978
  480    HG1  THR  67           HG1      THR  67  -4.150  -2.688  -7.476
  481   HG21  THR  67          HG21      THR  67  -0.738  -0.744  -6.541
  482   HG22  THR  67          HG22      THR  67  -2.160  -0.031  -7.307
  483   HG23  THR  67          HG23      THR  67  -1.043  -1.009  -8.259
  484    H    LEU  68           HN       LEU  68  -1.475  -3.330  -4.405
  485    HA   LEU  68           HA       LEU  68   0.814  -1.956  -3.698
  486    HB2  LEU  68           HB2      LEU  68  -0.251  -4.360  -2.225
  487    HB3  LEU  68           HB1      LEU  68   0.673  -3.041  -1.549
  488    HG   LEU  68           HG       LEU  68  -2.038  -2.608  -2.742
  489   HD11  LEU  68          HD11      LEU  68  -2.044  -4.385  -0.982
  490   HD12  LEU  68          HD12      LEU  68  -3.003  -2.962  -0.604
  491   HD13  LEU  68          HD13      LEU  68  -1.424  -3.182   0.145
  492   HD21  LEU  68          HD21      LEU  68  -0.612  -0.642  -2.363
  493   HD22  LEU  68          HD22      LEU  68  -0.435  -1.109  -0.671
  494   HD23  LEU  68          HD23      LEU  68  -2.018  -0.651  -1.297
  495    H    THR  69           HN       THR  69   0.411  -5.465  -3.706
  496    HA   THR  69           HA       THR  69   2.961  -6.248  -3.171
  497    HB   THR  69           HB       THR  69   0.583  -7.395  -4.515
  498    HG1  THR  69           HG1      THR  69   2.293  -8.533  -2.555
  499   HG21  THR  69          HG21      THR  69   1.705  -9.468  -5.140
  500   HG22  THR  69          HG22      THR  69   3.264  -8.753  -4.728
  501   HG23  THR  69          HG23      THR  69   2.315  -8.091  -6.064
  502    H    HIS  70           HN       HIS  70   1.530  -5.421  -6.281
  503    HA   HIS  70           HA       HIS  70   3.743  -6.293  -7.820
  504    HB2  HIS  70           HB2      HIS  70   1.448  -6.050  -8.735
  505    HB3  HIS  70           HB1      HIS  70   1.574  -4.319  -8.527
  506    HD1  HIS  70           HD1      HIS  70   2.717  -7.107 -10.729
  507    HD2  HIS  70           HD2      HIS  70   3.162  -2.986 -10.433
  508    HE1  HIS  70           HE1      HIS  70   3.715  -6.377 -12.916
  509    HE2  HIS  70           HE2      HIS  70   3.792  -3.863 -12.786
  510    H    ASN  71           HN       ASN  71   2.875  -3.230  -6.341
  511    HA   ASN  71           HA       ASN  71   5.038  -1.832  -7.630
  512    HB2  ASN  71           HB2      ASN  71   3.012  -1.020  -5.593
  513    HB3  ASN  71           HB1      ASN  71   4.335   0.038  -6.075
  514   HD21  ASN  71          HD21      ASN  71   1.412  -1.504  -7.045
  515   HD22  ASN  71          HD22      ASN  71   1.153  -0.570  -8.473
  516    H    THR  72           HN       THR  72   4.731  -3.662  -4.740
  517    HA   THR  72           HA       THR  72   7.136  -2.370  -3.656
  518    HB   THR  72           HB       THR  72   6.402  -3.197  -1.457
  519    HG1  THR  72           HG1      THR  72   3.901  -3.833  -2.630
  520   HG21  THR  72          HG21      THR  72   5.624  -0.969  -2.616
  521   HG22  THR  72          HG22      THR  72   4.871  -1.486  -1.106
  522   HG23  THR  72          HG23      THR  72   4.049  -1.773  -2.641
  523    H    GLY  73           HN       GLY  73   5.855  -5.249  -4.957
  524    HA2  GLY  73           HA2      GLY  73   7.197  -6.979  -5.754
  525    HA3  GLY  73           HA1      GLY  73   8.524  -6.323  -4.817
  526    H    LEU  74           HN       LEU  74   5.771  -6.595  -2.985
  527    HA   LEU  74           HA       LEU  74   6.974  -8.783  -1.510
  528    HB2  LEU  74           HB2      LEU  74   5.794  -6.390  -0.810
  529    HB3  LEU  74           HB1      LEU  74   4.554  -7.564  -0.427
  530    HG   LEU  74           HG       LEU  74   6.184  -8.795   0.961
  531   HD11  LEU  74          HD11      LEU  74   7.949  -6.566   0.013
  532   HD12  LEU  74          HD12      LEU  74   8.254  -8.305  -0.000
  533   HD13  LEU  74          HD13      LEU  74   8.275  -7.416   1.528
  534   HD21  LEU  74          HD21      LEU  74   5.994  -5.884   1.693
  535   HD22  LEU  74          HD22      LEU  74   6.180  -7.252   2.789
  536   HD23  LEU  74          HD23      LEU  74   4.682  -7.045   1.884
  537    H    ASP  75           HN       ASP  75   6.365 -10.717  -1.692
  538    HA   ASP  75           HA       ASP  75   3.933 -11.362  -3.144
  539    HB2  ASP  75           HB2      ASP  75   6.089 -12.372  -3.743
  540    HB3  ASP  75           HB1      ASP  75   6.163 -13.095  -2.145
  541    H    LEU  76           HN       LEU  76   2.796 -10.510  -1.178
  542    HA   LEU  76           HA       LEU  76   2.337 -12.715   0.706
  543    HB2  LEU  76           HB2      LEU  76   1.984  -9.746   1.097
  544    HB3  LEU  76           HB1      LEU  76   1.491 -10.959   2.267
  545    HG   LEU  76           HG       LEU  76   4.328 -10.550   1.313
  546   HD11  LEU  76          HD11      LEU  76   3.553  -8.662   2.642
  547   HD12  LEU  76          HD12      LEU  76   4.749  -9.619   3.516
  548   HD13  LEU  76          HD13      LEU  76   3.039  -9.765   3.914
  549   HD21  LEU  76          HD21      LEU  76   4.887 -12.026   3.199
  550   HD22  LEU  76          HD22      LEU  76   3.903 -12.832   1.978
  551   HD23  LEU  76          HD23      LEU  76   3.166 -12.285   3.483
  552    HA   PRO  77           HA       PRO  77  -1.669 -13.131  -0.929
  553    HB2  PRO  77           HB2      PRO  77  -2.716 -14.343   1.442
  554    HB3  PRO  77           HB1      PRO  77  -1.999 -15.146   0.045
  555    HG2  PRO  77           HG2      PRO  77  -0.904 -15.103   2.580
  556    HG3  PRO  77           HG1      PRO  77  -0.002 -15.420   1.088
  557    HD2  PRO  77           HD2      PRO  77  -0.239 -12.888   2.662
  558    HD3  PRO  77           HD1      PRO  77   1.178 -13.587   1.850
  559    HA   PRO  78           HA       PRO  78  -5.093 -10.486   0.477
  560    HB2  PRO  78           HB2      PRO  78  -6.962 -12.310   1.468
  561    HB3  PRO  78           HB1      PRO  78  -6.842 -11.757  -0.201
  562    HG2  PRO  78           HG2      PRO  78  -5.776 -14.246   1.052
  563    HG3  PRO  78           HG1      PRO  78  -6.507 -14.017  -0.549
  564    HD2  PRO  78           HD2      PRO  78  -3.876 -14.267  -0.297
  565    HD3  PRO  78           HD1      PRO  78  -4.561 -13.089  -1.435
  566    H    THR  79           HN       THR  79  -6.894 -10.609   2.537
  567    HA   THR  79           HA       THR  79  -7.154 -10.016   4.640
  568    HB   THR  79           HB       THR  79  -6.260 -11.328   6.435
  569    HG1  THR  79           HG1      THR  79  -4.407 -12.241   4.483
  570   HG21  THR  79          HG21      THR  79  -6.823 -13.091   4.057
  571   HG22  THR  79          HG22      THR  79  -8.042 -12.283   5.041
  572   HG23  THR  79          HG23      THR  79  -7.016 -13.526   5.756
  573    H    LEU  80           HN       LEU  80  -4.741  -9.000   2.963
  574    HA   LEU  80           HA       LEU  80  -2.969  -7.926   4.910
  575    HB2  LEU  80           HB2      LEU  80  -2.413  -8.230   2.500
  576    HB3  LEU  80           HB1      LEU  80  -3.536  -6.942   2.109
  577    HG   LEU  80           HG       LEU  80  -2.159  -5.346   3.352
  578   HD11  LEU  80          HD11      LEU  80  -1.252  -6.831   5.037
  579   HD12  LEU  80          HD12      LEU  80   0.051  -6.014   4.175
  580   HD13  LEU  80          HD13      LEU  80  -0.332  -7.695   3.806
  581   HD21  LEU  80          HD21      LEU  80  -0.603  -6.973   1.348
  582   HD22  LEU  80          HD22      LEU  80  -0.231  -5.321   1.843
  583   HD23  LEU  80          HD23      LEU  80  -1.729  -5.668   0.978
  584    H    ILE  81           HN       ILE  81  -5.882  -6.822   3.316
  585    HA   ILE  81           HA       ILE  81  -5.877  -4.206   4.490
  586    HB   ILE  81           HB       ILE  81  -8.274  -5.716   3.423
  587   HG12  ILE  81          HG12      ILE  81  -6.693  -5.705   1.648
  588   HG13  ILE  81          HG11      ILE  81  -7.798  -4.385   1.340
  589   HG21  ILE  81          HG21      ILE  81  -7.787  -2.765   3.396
  590   HG22  ILE  81          HG22      ILE  81  -8.602  -3.572   4.741
  591   HG23  ILE  81          HG23      ILE  81  -9.298  -3.628   3.119
  592   HD11  ILE  81          HD11      ILE  81  -5.111  -4.101   2.635
  593   HD12  ILE  81          HD12      ILE  81  -6.206  -2.805   2.153
  594   HD13  ILE  81          HD13      ILE  81  -5.451  -3.825   0.926
  595    H    PHE  82           HN       PHE  82  -7.218  -7.314   5.299
  596    HA   PHE  82           HA       PHE  82  -8.780  -6.505   7.494
  597    HB2  PHE  82           HB2      PHE  82  -7.574  -9.171   6.741
  598    HB3  PHE  82           HB1      PHE  82  -8.744  -8.943   8.032
  599    HD1  PHE  82           HD1      PHE  82 -10.995  -9.082   7.589
  600    HD2  PHE  82           HD2      PHE  82  -8.297  -8.358   4.371
  601    HE1  PHE  82           HE1      PHE  82 -12.844  -9.298   5.991
  602    HE2  PHE  82           HE2      PHE  82 -10.151  -8.577   2.771
  603    HZ   PHE  82           HZ       PHE  82 -12.426  -9.046   3.576
  604    H    ASP  83           HN       ASP  83  -5.408  -7.259   7.122
  605    HA   ASP  83           HA       ASP  83  -4.960  -7.271  10.004
  606    HB2  ASP  83           HB2      ASP  83  -3.787  -8.885   8.475
  607    HB3  ASP  83           HB1      ASP  83  -2.929  -7.516   7.782
  608    H    HIS  84           HN       HIS  84  -4.538  -5.260   7.201
  609    HA   HIS  84           HA       HIS  84  -3.639  -3.050   8.931
  610    HB2  HIS  84           HB2      HIS  84  -2.643  -3.769   6.174
  611    HB3  HIS  84           HB1      HIS  84  -2.357  -2.208   6.911
  612    HD1  HIS  84           HD1      HIS  84  -0.506  -2.080   8.693
  613    HD2  HIS  84           HD2      HIS  84  -1.254  -5.939   7.344
  614    HE1  HIS  84           HE1      HIS  84   1.373  -3.481   9.588
  615    HE2  HIS  84           HE2      HIS  84   0.771  -5.841   8.945
  616    HA   PRO  85           HA       PRO  85  -7.505  -2.202   6.803
  617    HB2  PRO  85           HB2      PRO  85  -8.818  -1.023   8.791
  618    HB3  PRO  85           HB1      PRO  85  -8.423  -2.745   8.854
  619    HG2  PRO  85           HG2      PRO  85  -7.082  -0.441  10.211
  620    HG3  PRO  85           HG1      PRO  85  -7.443  -2.057  10.843
  621    HD2  PRO  85           HD2      PRO  85  -4.986  -1.239   9.824
  622    HD3  PRO  85           HD1      PRO  85  -5.510  -2.924  10.010
  623    H    THR  86           HN       THR  86  -5.143   0.118   7.415
  624    HA   THR  86           HA       THR  86  -6.876   2.119   6.173
  625    HB   THR  86           HB       THR  86  -5.768   3.915   7.401
  626    HG1  THR  86           HG1      THR  86  -4.662   2.699   9.440
  627   HG21  THR  86          HG21      THR  86  -7.835   3.035   8.337
  628   HG22  THR  86          HG22      THR  86  -6.733   3.509   9.628
  629   HG23  THR  86          HG23      THR  86  -6.930   1.805   9.218
  630    HA   PRO  87           HA       PRO  87  -3.648   2.604   3.138
  631    HB2  PRO  87           HB2      PRO  87  -3.861   5.529   3.443
  632    HB3  PRO  87           HB1      PRO  87  -4.025   4.534   2.000
  633    HG2  PRO  87           HG2      PRO  87  -6.165   5.635   3.183
  634    HG3  PRO  87           HG1      PRO  87  -6.236   4.043   2.410
  635    HD2  PRO  87           HD2      PRO  87  -6.131   4.741   5.309
  636    HD3  PRO  87           HD1      PRO  87  -6.981   3.413   4.493
  637    H    HIS  88           HN       HIS  88  -3.539   4.538   6.075
  638    HA   HIS  88           HA       HIS  88  -0.746   4.926   6.188
  639    HB2  HIS  88           HB2      HIS  88  -2.301   6.074   7.706
  640    HB3  HIS  88           HB1      HIS  88  -2.769   4.538   8.412
  641    HD1  HIS  88           HD1      HIS  88   0.634   6.195   7.883
  642    HD2  HIS  88           HD2      HIS  88  -1.644   4.382  10.848
  643    HE1  HIS  88           HE1      HIS  88   2.083   6.188   9.937
  644    HE2  HIS  88           HE2      HIS  88   0.678   5.111  11.730
  645    H    ALA  89           HN       ALA  89  -2.812   2.408   7.588
  646    HA   ALA  89           HA       ALA  89  -0.864   0.810   8.732
  647    HB1  ALA  89           HB1      ALA  89  -3.477  -0.049   7.510
  648    HB2  ALA  89           HB2      ALA  89  -3.242   0.548   9.157
  649    HB3  ALA  89           HB3      ALA  89  -2.512  -0.982   8.658
  650    H    LEU  90           HN       LEU  90  -2.408   0.230   5.533
  651    HA   LEU  90           HA       LEU  90  -0.844  -1.894   4.730
  652    HB2  LEU  90           HB2      LEU  90  -2.676  -0.105   3.536
  653    HB3  LEU  90           HB1      LEU  90  -1.267  -0.146   2.515
  654    HG   LEU  90           HG       LEU  90  -1.466  -2.493   2.162
  655   HD11  LEU  90          HD11      LEU  90  -3.308  -3.782   3.166
  656   HD12  LEU  90          HD12      LEU  90  -3.696  -2.397   4.181
  657   HD13  LEU  90          HD13      LEU  90  -2.144  -3.214   4.356
  658   HD21  LEU  90          HD21      LEU  90  -4.137  -1.123   1.972
  659   HD22  LEU  90          HD22      LEU  90  -3.689  -2.600   1.127
  660   HD23  LEU  90          HD23      LEU  90  -2.851  -1.090   0.767
  661    H    THR  91           HN       THR  91  -0.242   1.545   4.371
  662    HA   THR  91           HA       THR  91   2.117   1.358   2.922
  663    HB   THR  91           HB       THR  91   0.995   3.442   4.790
  664    HG1  THR  91           HG1      THR  91  -0.004   3.647   2.915
  665   HG21  THR  91          HG21      THR  91   3.662   3.517   3.413
  666   HG22  THR  91          HG22      THR  91   3.295   3.815   5.110
  667   HG23  THR  91          HG23      THR  91   2.797   4.978   3.883
  668    H    GLN  92           HN       GLN  92   1.564   1.619   6.418
  669    HA   GLN  92           HA       GLN  92   4.137   1.523   7.384
  670    HB2  GLN  92           HB2      GLN  92   1.660   0.175   8.476
  671    HB3  GLN  92           HB1      GLN  92   3.134   0.419   9.392
  672    HG2  GLN  92           HG2      GLN  92   2.830   2.887   8.975
  673    HG3  GLN  92           HG1      GLN  92   1.230   2.485   8.362
  674   HE21  GLN  92          HE21      GLN  92   3.242   2.725  11.157
  675   HE22  GLN  92          HE22      GLN  92   1.988   2.515  12.329
  676    H    HIS  93           HN       HIS  93   2.058  -1.130   6.404
  677    HA   HIS  93           HA       HIS  93   3.654  -3.279   7.142
  678    HB2  HIS  93           HB2      HIS  93   1.377  -3.619   6.468
  679    HB3  HIS  93           HB1      HIS  93   1.690  -2.949   4.873
  680    HD1  HIS  93           HD1      HIS  93   2.689  -5.968   6.961
  681    HD2  HIS  93           HD2      HIS  93   2.288  -4.787   2.986
  682    HE1  HIS  93           HE1      HIS  93   3.052  -8.044   5.599
  683    HE2  HIS  93           HE2      HIS  93   2.576  -7.347   3.227
  684    H    LEU  94           HN       LEU  94   3.551  -1.622   3.961
  685    HA   LEU  94           HA       LEU  94   5.712  -3.288   2.988
  686    HB2  LEU  94           HB2      LEU  94   4.391  -0.849   1.770
  687    HB3  LEU  94           HB1      LEU  94   5.442  -1.977   0.937
  688    HG   LEU  94           HG       LEU  94   2.862  -2.848   2.211
  689   HD11  LEU  94          HD11      LEU  94   2.540  -1.023   0.506
  690   HD12  LEU  94          HD12      LEU  94   1.690  -2.544   0.230
  691   HD13  LEU  94          HD13      LEU  94   3.148  -2.177  -0.698
  692   HD21  LEU  94          HD21      LEU  94   4.515  -4.588   1.635
  693   HD22  LEU  94          HD22      LEU  94   4.505  -4.027  -0.043
  694   HD23  LEU  94          HD23      LEU  94   3.045  -4.718   0.670
  695    H    HIS  95           HN       HIS  95   5.444  -0.287   4.637
  696    HA   HIS  95           HA       HIS  95   7.991   0.772   3.771
  697    HB2  HIS  95           HB2      HIS  95   6.167   2.269   4.595
  698    HB3  HIS  95           HB1      HIS  95   6.307   1.528   6.182
  699    HD1  HIS  95           HD1      HIS  95   8.102   2.389   7.717
  700    HD2  HIS  95           HD2      HIS  95   8.434   3.923   3.856
  701    HE1  HIS  95           HE1      HIS  95   9.848   4.182   7.847
  702    HE2  HIS  95           HE2      HIS  95  10.194   4.913   5.471
  703    H    THR  96           HN       THR  96   6.756  -1.374   6.150
  704    HA   THR  96           HA       THR  96   9.152  -1.380   7.751
  705    HB   THR  96           HB       THR  96   6.413  -2.485   7.897
  706    HG1  THR  96           HG1      THR  96   8.273  -1.521   9.828
  707   HG21  THR  96          HG21      THR  96   8.676  -3.914   9.274
  708   HG22  THR  96          HG22      THR  96   7.707  -4.544   7.942
  709   HG23  THR  96          HG23      THR  96   6.951  -4.213   9.501
  710    H    ARG  97           HN       ARG  97   7.359  -3.562   5.593
  711    HA   ARG  97           HA       ARG  97   9.154  -5.704   5.738
  712    HB2  ARG  97           HB2      ARG  97   7.032  -4.924   3.796
  713    HB3  ARG  97           HB1      ARG  97   8.022  -6.336   3.510
  714    HG2  ARG  97           HG2      ARG  97   6.476  -5.850   6.021
  715    HG3  ARG  97           HG1      ARG  97   5.846  -6.763   4.646
  716    HD2  ARG  97           HD2      ARG  97   8.378  -7.420   6.145
  717    HD3  ARG  97           HD1      ARG  97   6.816  -8.183   6.408
  718    HE   ARG  97           HE       ARG  97   7.218  -8.561   3.771
  719   HH11  ARG  97          HH11      ARG  97   9.180  -9.217   6.590
  720   HH12  ARG  97          HH12      ARG  97   9.989 -10.567   5.867
  721   HH21  ARG  97          HH21      ARG  97   8.276 -10.361   2.822
  722   HH22  ARG  97          HH22      ARG  97   9.484 -11.211   3.732
  723    H    LEU  98           HN       LEU  98   9.218  -2.820   3.895
  724    HA   LEU  98           HA       LEU  98  10.961  -3.608   1.843
  725    HB2  LEU  98           HB2      LEU  98   9.465  -1.451   2.375
  726    HB3  LEU  98           HB1      LEU  98  11.029  -0.842   2.844
  727    HG   LEU  98           HG       LEU  98  10.107  -0.506   0.407
  728   HD11  LEU  98          HD11      LEU  98  12.306  -0.208  -0.362
  729   HD12  LEU  98          HD12      LEU  98  12.942  -1.408   0.766
  730   HD13  LEU  98          HD13      LEU  98  12.333   0.133   1.368
  731   HD21  LEU  98          HD21      LEU  98   9.771  -2.989   0.157
  732   HD22  LEU  98          HD22      LEU  98  11.529  -3.140   0.101
  733   HD23  LEU  98          HD23      LEU  98  10.685  -2.210  -1.135
  734    H    THR  99           HN       THR  99  11.522  -3.156   5.151
  735    HA   THR  99           HA       THR  99  14.418  -3.173   4.700
  736    HB   THR  99           HB       THR  99  13.785  -0.880   5.100
  737    HG1  THR  99           HG1      THR  99  15.180  -2.149   7.223
  738   HG21  THR  99          HG21      THR  99  11.742  -1.145   6.316
  739   HG22  THR  99          HG22      THR  99  12.858  -0.176   7.282
  740   HG23  THR  99          HG23      THR  99  12.603  -1.877   7.673
  741    H    GLN 100           HN       GLN 100  12.072  -4.859   5.700
  742    HA   GLN 100           HA       GLN 100  13.499  -6.001   7.996
  743    HB2  GLN 100           HB2      GLN 100  10.518  -5.650   7.774
  744    HB3  GLN 100           HB1      GLN 100  11.321  -6.543   9.041
  745    HG2  GLN 100           HG2      GLN 100  12.437  -3.929   8.856
  746    HG3  GLN 100           HG1      GLN 100  10.688  -3.858   8.983
  747   HE21  GLN 100          HE21      GLN 100  10.754  -2.994  11.049
  748   HE22  GLN 100          HE22      GLN 100  11.179  -3.948  12.428
  749    H    SER 101           HN       SER 101  14.095  -7.012   5.676
  750    HA   SER 101           HA       SER 101  12.758  -9.586   5.642
  751    HB2  SER 101           HB2      SER 101  12.566  -9.447   3.100
  752    HB3  SER 101           HB1      SER 101  11.394  -8.515   4.027
  753    HG   SER 101           HG       SER 101  13.278  -6.834   3.742
  754    H    HIS 102           HN       HIS 102  13.865 -11.069   4.042
  755    HA   HIS 102           HA       HIS 102  16.740 -10.578   4.210
  756    HB2  HIS 102           HB2      HIS 102  17.024 -13.014   3.854
  757    HB3  HIS 102           HB1      HIS 102  16.116 -12.633   5.290
  758    HD1  HIS 102           HD1      HIS 102  15.931 -15.421   4.168
  759    HD2  HIS 102           HD2      HIS 102  13.324 -12.375   3.076
  760    HE1  HIS 102           HE1      HIS 102  13.852 -16.573   3.346
  761    HE2  HIS 102           HE2      HIS 102  12.275 -14.713   2.708
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   7.929  -5.526 -17.556
    2    H2   GLY   1           HT2      GLY   1   7.189  -7.045 -17.618
    3    H3   GLY   1           HT3      GLY   1   8.872  -6.922 -17.702
    4    HA2  GLY   1           HA1      GLY   1   7.211  -6.190 -15.361
    5    HA3  GLY   1           HA2      GLY   1   8.159  -7.661 -15.514
    6    H    ALA   2           HN       ALA   2   8.772  -6.301 -13.372
    7    HA   ALA   2           HA       ALA   2  11.232  -4.835 -14.070
    8    HB1  ALA   2           HB1      ALA   2   9.419  -4.282 -11.725
    9    HB2  ALA   2           HB2      ALA   2   9.530  -3.308 -13.190
   10    HB3  ALA   2           HB3      ALA   2  10.915  -3.433 -12.107
   11    H    ALA   3           HN       ALA   3  10.361  -7.681 -13.161
   12    HA   ALA   3           HA       ALA   3  11.201  -9.403 -11.969
   13    HB1  ALA   3           HB1      ALA   3  13.531  -9.339 -11.257
   14    HB2  ALA   3           HB2      ALA   3  13.576  -7.596 -11.523
   15    HB3  ALA   3           HB3      ALA   3  13.352  -8.689 -12.887
   16    H    SER   4           HN       SER   4  12.821  -7.037  -9.923
   17    HA   SER   4           HA       SER   4  10.895  -7.667  -7.796
   18    HB2  SER   4           HB2      SER   4  13.138  -8.508  -7.277
   19    HB3  SER   4           HB1      SER   4  13.812  -6.900  -7.538
   20    HG   SER   4           HG       SER   4  13.452  -7.329  -5.319
   21    H    ALA   5           HN       ALA   5   9.468  -5.999  -7.824
   22    HA   ALA   5           HA       ALA   5  10.365  -3.297  -8.230
   23    HB1  ALA   5           HB1      ALA   5   8.040  -2.673  -7.766
   24    HB2  ALA   5           HB2      ALA   5   7.687  -4.339  -7.310
   25    HB3  ALA   5           HB3      ALA   5   8.142  -3.956  -8.969
   26    H    ALA   6           HN       ALA   6  10.735  -5.349  -5.728
   27    HA   ALA   6           HA       ALA   6  10.202  -3.494  -3.570
   28    HB1  ALA   6           HB1      ALA   6  11.602  -6.167  -3.569
   29    HB2  ALA   6           HB2      ALA   6   9.893  -5.880  -3.219
   30    HB3  ALA   6           HB3      ALA   6  11.136  -5.242  -2.139
   31    H    THR   7           HN       THR   7  12.659  -4.139  -5.772
   32    HA   THR   7           HA       THR   7  14.597  -2.667  -4.146
   33    HB   THR   7           HB       THR   7  15.486  -4.725  -5.085
   34    HG1  THR   7           HG1      THR   7  16.985  -3.072  -4.886
   35   HG21  THR   7          HG21      THR   7  14.081  -4.903  -7.080
   36   HG22  THR   7          HG22      THR   7  15.793  -5.011  -7.494
   37   HG23  THR   7          HG23      THR   7  14.911  -3.513  -7.786
   38    H    ASP   8           HN       ASP   8  12.175  -2.209  -6.356
   39    HA   ASP   8           HA       ASP   8  13.383   0.146  -7.570
   40    HB2  ASP   8           HB2      ASP   8  11.173  -1.624  -8.238
   41    HB3  ASP   8           HB1      ASP   8  10.698   0.069  -8.235
   42    H    LEU   9           HN       LEU   9  10.914  -0.999  -5.407
   43    HA   LEU   9           HA       LEU   9   9.672   1.474  -4.902
   44    HB2  LEU   9           HB2      LEU   9   8.558  -0.523  -4.221
   45    HB3  LEU   9           HB1      LEU   9   9.917  -1.021  -3.235
   46    HG   LEU   9           HG       LEU   9   9.564   1.064  -1.878
   47   HD11  LEU   9          HD11      LEU   9   7.405   2.140  -1.985
   48   HD12  LEU   9          HD12      LEU   9   6.928   1.094  -3.325
   49   HD13  LEU   9          HD13      LEU   9   8.250   2.268  -3.540
   50   HD21  LEU   9          HD21      LEU   9   7.848   0.053  -0.522
   51   HD22  LEU   9          HD22      LEU   9   8.949  -1.177  -1.138
   52   HD23  LEU   9          HD23      LEU   9   7.358  -0.975  -1.864
   53    H    ALA  10           HN       ALA  10  11.877  -0.452  -2.998
   54    HA   ALA  10           HA       ALA  10  12.623   1.590  -1.190
   55    HB1  ALA  10           HB1      ALA  10  14.024  -0.963  -1.966
   56    HB2  ALA  10           HB2      ALA  10  12.935  -0.707  -0.598
   57    HB3  ALA  10           HB3      ALA  10  14.516   0.077  -0.629
   58    H    ALA  11           HN       ALA  11  13.150   1.514  -4.419
   59    HA   ALA  11           HA       ALA  11  15.708   2.870  -4.377
   60    HB1  ALA  11           HB1      ALA  11  15.318   3.102  -6.815
   61    HB2  ALA  11           HB2      ALA  11  13.783   2.248  -6.599
   62    HB3  ALA  11           HB3      ALA  11  15.311   1.434  -6.243
   63    H    ARG  12           HN       ARG  12  12.213   3.625  -4.911
   64    HA   ARG  12           HA       ARG  12  12.477   6.398  -5.194
   65    HB2  ARG  12           HB2      ARG  12  10.407   4.526  -4.144
   66    HB3  ARG  12           HB1      ARG  12  10.183   6.236  -3.861
   67    HG2  ARG  12           HG2      ARG  12   8.951   5.869  -5.753
   68    HG3  ARG  12           HG1      ARG  12  10.491   6.411  -6.412
   69    HD2  ARG  12           HD2      ARG  12  10.159   3.521  -5.959
   70    HD3  ARG  12           HD1      ARG  12   9.237   4.235  -7.289
   71    HE   ARG  12           HE       ARG  12  11.995   5.014  -7.315
   72   HH11  ARG  12          HH11      ARG  12   9.770   2.477  -8.260
   73   HH12  ARG  12          HH12      ARG  12  10.783   1.904  -9.553
   74   HH21  ARG  12          HH21      ARG  12  13.306   4.280  -9.032
   75   HH22  ARG  12          HH22      ARG  12  12.780   2.940  -9.998
   76    H    LEU  13           HN       LEU  13  12.569   4.243  -2.502
   77    HA   LEU  13           HA       LEU  13  12.241   6.271  -0.485
   78    HB2  LEU  13           HB2      LEU  13  12.657   3.314  -0.493
   79    HB3  LEU  13           HB1      LEU  13  12.748   4.215   1.000
   80    HG   LEU  13           HG       LEU  13  10.440   4.777   0.914
   81   HD11  LEU  13          HD11      LEU  13  10.020   5.434  -1.251
   82   HD12  LEU  13          HD12      LEU  13   9.026   3.991  -1.023
   83   HD13  LEU  13          HD13      LEU  13  10.549   3.887  -1.921
   84   HD21  LEU  13          HD21      LEU  13   9.342   2.616   0.812
   85   HD22  LEU  13          HD22      LEU  13  10.895   2.510   1.641
   86   HD23  LEU  13          HD23      LEU  13  10.742   1.944  -0.022
   87    H    ASN  14           HN       ASN  14  14.750   4.301  -1.843
   88    HA   ASN  14           HA       ASN  14  16.893   4.728  -0.219
   89    HB2  ASN  14           HB2      ASN  14  16.373   3.759  -2.765
   90    HB3  ASN  14           HB1      ASN  14  17.563   5.031  -3.029
   91   HD21  ASN  14          HD21      ASN  14  17.511   1.982  -3.051
   92   HD22  ASN  14          HD22      ASN  14  18.932   1.553  -2.162
   93    H    GLY  15           HN       GLY  15  17.994   6.422   0.432
   94    HA2  GLY  15           HA2      GLY  15  19.119   8.491   0.136
   95    HA3  GLY  15           HA1      GLY  15  18.042   8.857  -1.207
   96    H    LEU  16           HN       LEU  16  15.683   8.027   0.265
   97    HA   LEU  16           HA       LEU  16  15.160  10.562   1.524
   98    HB2  LEU  16           HB2      LEU  16  13.502   8.201   0.739
   99    HB3  LEU  16           HB1      LEU  16  12.844   9.423   1.799
  100    HG   LEU  16           HG       LEU  16  13.875   9.884  -0.992
  101   HD11  LEU  16          HD11      LEU  16  11.769   8.678  -0.993
  102   HD12  LEU  16          HD12      LEU  16  11.518  10.345  -1.513
  103   HD13  LEU  16          HD13      LEU  16  11.072   9.853   0.121
  104   HD21  LEU  16          HD21      LEU  16  12.748  12.130  -0.560
  105   HD22  LEU  16          HD22      LEU  16  14.301  11.832   0.219
  106   HD23  LEU  16          HD23      LEU  16  12.805  11.688   1.154
  107    H    SER  17           HN       SER  17  14.018  10.715   3.524
  108    HA   SER  17           HA       SER  17  15.101   9.017   5.608
  109    HB2  SER  17           HB2      SER  17  13.316  11.455   5.677
  110    HB3  SER  17           HB1      SER  17  13.976  10.653   7.095
  111    HG   SER  17           HG       SER  17  15.380  12.008   5.035
  112    HA   PRO  18           HA       PRO  18  11.963   6.049   6.486
  113    HB2  PRO  18           HB2      PRO  18  11.225   7.550   8.887
  114    HB3  PRO  18           HB1      PRO  18  11.860   5.917   8.735
  115    HG2  PRO  18           HG2      PRO  18  13.270   8.355   9.272
  116    HG3  PRO  18           HG1      PRO  18  13.883   6.707   9.341
  117    HD2  PRO  18           HD2      PRO  18  14.705   8.542   7.516
  118    HD3  PRO  18           HD1      PRO  18  14.646   6.800   7.168
  119    H    GLN  19           HN       GLN  19  10.813   9.278   7.501
  120    HA   GLN  19           HA       GLN  19   8.073   8.666   7.008
  121    HB2  GLN  19           HB2      GLN  19   8.918  10.409   8.600
  122    HB3  GLN  19           HB1      GLN  19   9.312  11.403   7.204
  123    HG2  GLN  19           HG2      GLN  19   7.219  12.155   7.956
  124    HG3  GLN  19           HG1      GLN  19   6.916  11.178   6.517
  125   HE21  GLN  19          HE21      GLN  19   4.795  10.761   7.103
  126   HE22  GLN  19          HE22      GLN  19   4.397   9.670   8.381
  127    H    GLN  20           HN       GLN  20  10.581  10.176   5.071
  128    HA   GLN  20           HA       GLN  20   8.877  11.184   3.002
  129    HB2  GLN  20           HB2      GLN  20  11.816  10.444   3.074
  130    HB3  GLN  20           HB1      GLN  20  11.038  11.160   1.668
  131    HG2  GLN  20           HG2      GLN  20  11.242  12.431   4.373
  132    HG3  GLN  20           HG1      GLN  20  12.300  12.769   3.020
  133   HE21  GLN  20          HE21      GLN  20  10.440  14.485   4.549
  134   HE22  GLN  20          HE22      GLN  20   9.413  15.202   3.354
  135    H    GLN  21           HN       GLN  21  10.865   8.334   3.456
  136    HA   GLN  21           HA       GLN  21  10.314   6.871   1.146
  137    HB2  GLN  21           HB2      GLN  21  10.768   5.978   4.003
  138    HB3  GLN  21           HB1      GLN  21  10.844   4.905   2.620
  139    HG2  GLN  21           HG2      GLN  21  12.718   6.164   1.731
  140    HG3  GLN  21           HG1      GLN  21  12.628   7.284   3.092
  141   HE21  GLN  21          HE21      GLN  21  14.814   5.569   2.245
  142   HE22  GLN  21          HE22      GLN  21  15.172   4.537   3.590
  143    H    GLN  22           HN       GLN  22   8.621   7.093   4.206
  144    HA   GLN  22           HA       GLN  22   6.629   5.202   3.726
  145    HB2  GLN  22           HB2      GLN  22   7.213   6.264   5.914
  146    HB3  GLN  22           HB1      GLN  22   6.392   7.699   5.357
  147    HG2  GLN  22           HG2      GLN  22   4.498   5.802   4.971
  148    HG3  GLN  22           HG1      GLN  22   5.356   5.223   6.396
  149   HE21  GLN  22          HE21      GLN  22   3.441   7.799   5.077
  150   HE22  GLN  22          HE22      GLN  22   3.026   8.525   6.587
  151    H    GLN  23           HN       GLN  23   6.793   8.647   3.021
  152    HA   GLN  23           HA       GLN  23   4.198   9.120   2.201
  153    HB2  GLN  23           HB2      GLN  23   6.755  10.293   1.259
  154    HB3  GLN  23           HB1      GLN  23   5.179  10.957   0.851
  155    HG2  GLN  23           HG2      GLN  23   4.714  11.284   3.218
  156    HG3  GLN  23           HG1      GLN  23   6.279  10.637   3.625
  157   HE21  GLN  23          HE21      GLN  23   5.111  13.254   4.164
  158   HE22  GLN  23          HE22      GLN  23   6.191  14.413   3.471
  159    H    THR  24           HN       THR  24   6.901   7.892   0.303
  160    HA   THR  24           HA       THR  24   5.710   7.935  -2.226
  161    HB   THR  24           HB       THR  24   7.808   6.265  -0.909
  162    HG1  THR  24           HG1      THR  24   7.750   8.546  -2.215
  163   HG21  THR  24          HG21      THR  24   8.257   5.075  -2.963
  164   HG22  THR  24          HG22      THR  24   6.951   5.930  -3.787
  165   HG23  THR  24          HG23      THR  24   6.577   4.785  -2.497
  166    H    LEU  25           HN       LEU  25   5.564   5.476   0.330
  167    HA   LEU  25           HA       LEU  25   3.742   3.785  -1.151
  168    HB2  LEU  25           HB2      LEU  25   4.353   3.939   1.782
  169    HB3  LEU  25           HB1      LEU  25   3.457   2.656   1.004
  170    HG   LEU  25           HG       LEU  25   6.242   3.210   0.105
  171   HD11  LEU  25          HD11      LEU  25   7.134   1.833   1.872
  172   HD12  LEU  25          HD12      LEU  25   5.521   1.607   2.553
  173   HD13  LEU  25          HD13      LEU  25   6.272   3.204   2.577
  174   HD21  LEU  25          HD21      LEU  25   6.184   0.769  -0.216
  175   HD22  LEU  25          HD22      LEU  25   4.899   1.586  -1.096
  176   HD23  LEU  25          HD23      LEU  25   4.538   0.738   0.407
  177    H    ALA  26           HN       ALA  26   3.609   6.181   1.384
  178    HA   ALA  26           HA       ALA  26   0.832   6.090   1.861
  179    HB1  ALA  26           HB1      ALA  26   2.481   8.550   2.316
  180    HB2  ALA  26           HB2      ALA  26   2.848   7.079   3.215
  181    HB3  ALA  26           HB3      ALA  26   1.247   7.824   3.353
  182    H    THR  27           HN       THR  27   2.214   6.766  -0.879
  183    HA   THR  27           HA       THR  27   0.148   8.642  -1.744
  184    HB   THR  27           HB       THR  27   3.054   8.432  -2.467
  185    HG1  THR  27           HG1      THR  27   2.796  10.082  -1.132
  186   HG21  THR  27          HG21      THR  27   0.970   9.733  -4.217
  187   HG22  THR  27          HG22      THR  27   1.848   8.242  -4.586
  188   HG23  THR  27          HG23      THR  27   2.720   9.774  -4.457
  189    H    LEU  28           HN       LEU  28   2.317   6.032  -2.643
  190    HA   LEU  28           HA       LEU  28   1.021   5.263  -5.002
  191    HB2  LEU  28           HB2      LEU  28   3.204   4.584  -4.938
  192    HB3  LEU  28           HB1      LEU  28   3.113   4.154  -3.246
  193    HG   LEU  28           HG       LEU  28   1.412   2.362  -4.222
  194   HD11  LEU  28          HD11      LEU  28   2.252   1.395  -6.271
  195   HD12  LEU  28          HD12      LEU  28   3.448   2.690  -6.399
  196   HD13  LEU  28          HD13      LEU  28   1.728   3.063  -6.525
  197   HD21  LEU  28          HD21      LEU  28   3.077   1.709  -2.761
  198   HD22  LEU  28          HD22      LEU  28   4.370   2.206  -3.863
  199   HD23  LEU  28          HD23      LEU  28   3.393   0.781  -4.237
  200    H    VAL  29           HN       VAL  29   0.965   4.079  -1.724
  201    HA   VAL  29           HA       VAL  29  -0.669   1.827  -2.208
  202    HB   VAL  29           HB       VAL  29  -0.073   3.403   0.294
  203   HG11  VAL  29          HG11      VAL  29  -2.324   2.342   0.419
  204   HG12  VAL  29          HG12      VAL  29  -1.171   1.703   1.594
  205   HG13  VAL  29          HG13      VAL  29  -1.557   0.777   0.143
  206   HG21  VAL  29          HG21      VAL  29   0.768   0.636  -0.557
  207   HG22  VAL  29          HG22      VAL  29   1.339   1.538   0.846
  208   HG23  VAL  29          HG23      VAL  29   1.737   2.091  -0.784
  209    H    ALA  30           HN       ALA  30  -1.249   5.149  -1.449
  210    HA   ALA  30           HA       ALA  30  -4.082   4.857  -1.189
  211    HB1  ALA  30           HB1      ALA  30  -2.264   7.218  -1.431
  212    HB2  ALA  30           HB2      ALA  30  -3.045   6.601   0.027
  213    HB3  ALA  30           HB3      ALA  30  -4.010   7.347  -1.250
  214    H    ALA  31           HN       ALA  31  -1.788   5.697  -3.649
  215    HA   ALA  31           HA       ALA  31  -3.575   6.460  -5.683
  216    HB1  ALA  31           HB1      ALA  31  -1.744   6.148  -7.176
  217    HB2  ALA  31           HB2      ALA  31  -0.969   4.995  -6.082
  218    HB3  ALA  31           HB3      ALA  31  -1.041   6.699  -5.645
  219    H    ALA  32           HN       ALA  32  -2.213   3.422  -4.666
  220    HA   ALA  32           HA       ALA  32  -3.476   1.640  -6.364
  221    HB1  ALA  32           HB1      ALA  32  -1.766   0.862  -4.947
  222    HB2  ALA  32           HB2      ALA  32  -3.239   0.086  -4.355
  223    HB3  ALA  32           HB3      ALA  32  -2.569   1.488  -3.508
  224    H    THR  33           HN       THR  33  -4.604   2.973  -3.231
  225    HA   THR  33           HA       THR  33  -7.114   1.570  -3.469
  226    HB   THR  33           HB       THR  33  -6.515   3.854  -1.583
  227    HG1  THR  33           HG1      THR  33  -4.892   2.157  -1.460
  228   HG21  THR  33          HG21      THR  33  -8.817   3.259  -1.564
  229   HG22  THR  33          HG22      THR  33  -8.098   2.505  -0.140
  230   HG23  THR  33          HG23      THR  33  -8.443   1.536  -1.577
  231    H    ALA  34           HN       ALA  34  -5.844   4.612  -4.484
  232    HA   ALA  34           HA       ALA  34  -8.297   5.922  -4.963
  233    HB1  ALA  34           HB1      ALA  34  -6.163   7.117  -4.965
  234    HB2  ALA  34           HB2      ALA  34  -7.011   7.342  -6.499
  235    HB3  ALA  34           HB3      ALA  34  -5.651   6.221  -6.397
  236    H    THR  35           HN       THR  35  -6.440   3.512  -6.599
  237    HA   THR  35           HA       THR  35  -7.831   3.527  -9.064
  238    HB   THR  35           HB       THR  35  -5.854   1.801  -7.672
  239    HG1  THR  35           HG1      THR  35  -4.993   3.307  -9.013
  240   HG21  THR  35          HG21      THR  35  -6.039   0.019  -9.278
  241   HG22  THR  35          HG22      THR  35  -7.372   0.845 -10.086
  242   HG23  THR  35          HG23      THR  35  -7.581   0.241  -8.436
  243    H    VAL  36           HN       VAL  36  -7.922   1.411  -6.202
  244    HA   VAL  36           HA       VAL  36  -9.699  -0.474  -7.153
  245    HB   VAL  36           HB       VAL  36 -10.221  -0.916  -4.730
  246   HG11  VAL  36          HG11      VAL  36  -7.421  -0.850  -5.736
  247   HG12  VAL  36          HG12      VAL  36  -8.539  -2.219  -5.636
  248   HG13  VAL  36          HG13      VAL  36  -7.845  -1.539  -4.168
  249   HG21  VAL  36          HG21      VAL  36  -8.450   0.265  -3.248
  250   HG22  VAL  36          HG22      VAL  36 -10.045   0.954  -3.527
  251   HG23  VAL  36          HG23      VAL  36  -8.662   1.544  -4.447
  252    H    LEU  37           HN       LEU  37 -10.397   2.647  -5.721
  253    HA   LEU  37           HA       LEU  37 -13.216   1.962  -5.415
  254    HB2  LEU  37           HB2      LEU  37 -11.898   4.578  -4.772
  255    HB3  LEU  37           HB1      LEU  37 -13.396   3.942  -4.130
  256    HG   LEU  37           HG       LEU  37 -10.697   2.722  -3.606
  257   HD11  LEU  37          HD11      LEU  37 -10.851   4.997  -2.724
  258   HD12  LEU  37          HD12      LEU  37 -10.762   3.779  -1.455
  259   HD13  LEU  37          HD13      LEU  37 -12.304   4.539  -1.835
  260   HD21  LEU  37          HD21      LEU  37 -13.400   2.309  -2.352
  261   HD22  LEU  37          HD22      LEU  37 -11.895   1.586  -1.784
  262   HD23  LEU  37          HD23      LEU  37 -12.532   1.168  -3.375
  263    H    GLY  38           HN       GLY  38 -11.566   2.773  -8.022
  264    HA2  GLY  38           HA2      GLY  38 -12.391   3.527 -10.061
  265    HA3  GLY  38           HA1      GLY  38 -13.850   4.059  -9.241
  266    H    HIS  39           HN       HIS  39 -11.484   5.341  -7.450
  267    HA   HIS  39           HA       HIS  39 -11.774   7.973  -8.575
  268    HB2  HIS  39           HB2      HIS  39 -10.138   6.914  -6.256
  269    HB3  HIS  39           HB1      HIS  39 -10.164   8.608  -6.725
  270    HD1  HIS  39           HD1      HIS  39 -11.598   9.884  -5.190
  271    HD2  HIS  39           HD2      HIS  39 -13.119   6.079  -5.890
  272    HE1  HIS  39           HE1      HIS  39 -13.715   9.742  -3.839
  273    HE2  HIS  39           HE2      HIS  39 -14.542   7.386  -4.170
  274    H    HIS  40           HN       HIS  40  -9.228   9.084  -8.236
  275    HA   HIS  40           HA       HIS  40  -7.450   7.416  -9.841
  276    HB2  HIS  40           HB2      HIS  40  -8.874   9.156 -11.213
  277    HB3  HIS  40           HB1      HIS  40  -7.674  10.293 -10.606
  278    HD1  HIS  40           HD1      HIS  40  -8.107   9.242 -13.628
  279    HD2  HIS  40           HD2      HIS  40  -5.083   8.144 -10.983
  280    HE1  HIS  40           HE1      HIS  40  -6.216   8.413 -15.064
  281    HE2  HIS  40           HE2      HIS  40  -4.456   7.632 -13.441
  282    H    THR  41           HN       THR  41  -7.799  10.482  -8.035
  283    HA   THR  41           HA       THR  41  -4.932  10.437  -7.597
  284    HB   THR  41           HB       THR  41  -5.918  12.598  -8.163
  285    HG1  THR  41           HG1      THR  41  -4.173  13.068  -7.045
  286   HG21  THR  41          HG21      THR  41  -8.093  12.341  -7.068
  287   HG22  THR  41          HG22      THR  41  -7.272  13.802  -6.517
  288   HG23  THR  41          HG23      THR  41  -7.291  12.362  -5.498
  289    HA   PRO  42           HA       PRO  42  -5.068   8.643  -3.562
  290    HB2  PRO  42           HB2      PRO  42  -2.606  10.105  -3.019
  291    HB3  PRO  42           HB1      PRO  42  -2.847   8.370  -3.212
  292    HG2  PRO  42           HG2      PRO  42  -1.526   9.907  -5.027
  293    HG3  PRO  42           HG1      PRO  42  -2.399   8.421  -5.435
  294    HD2  PRO  42           HD2      PRO  42  -3.227  11.261  -5.869
  295    HD3  PRO  42           HD1      PRO  42  -3.508   9.809  -6.850
  296    H    GLU  43           HN       GLU  43  -4.992  11.980  -4.262
  297    HA   GLU  43           HA       GLU  43  -4.816  13.063  -1.683
  298    HB2  GLU  43           HB2      GLU  43  -6.083  14.120  -4.194
  299    HB3  GLU  43           HB1      GLU  43  -5.947  15.064  -2.712
  300    HG2  GLU  43           HG2      GLU  43  -3.699  13.874  -4.286
  301    HG3  GLU  43           HG1      GLU  43  -4.146  15.579  -4.252
  302    H    SER  44           HN       SER  44  -7.463  11.602  -3.386
  303    HA   SER  44           HA       SER  44  -9.442  12.518  -1.479
  304    HB2  SER  44           HB2      SER  44 -10.998  11.082  -2.774
  305    HB3  SER  44           HB1      SER  44 -10.119  12.206  -3.805
  306    HG   SER  44           HG       SER  44  -8.728  10.490  -4.383
  307    H    ILE  45           HN       ILE  45  -7.160  10.084  -1.709
  308    HA   ILE  45           HA       ILE  45  -8.603   8.127  -0.117
  309    HB   ILE  45           HB       ILE  45  -5.767   8.032  -1.127
  310   HG12  ILE  45          HG12      ILE  45  -7.265   8.257  -3.008
  311   HG13  ILE  45          HG11      ILE  45  -6.685   6.601  -2.929
  312   HG21  ILE  45          HG21      ILE  45  -6.331   6.492   0.751
  313   HG22  ILE  45          HG22      ILE  45  -5.853   5.675  -0.737
  314   HG23  ILE  45          HG23      ILE  45  -7.559   5.759  -0.286
  315   HD11  ILE  45          HD11      ILE  45  -8.780   5.870  -1.990
  316   HD12  ILE  45          HD12      ILE  45  -9.058   6.755  -3.492
  317   HD13  ILE  45          HD13      ILE  45  -9.365   7.535  -1.942
  318    H    SER  46           HN       SER  46  -8.809   9.214   1.860
  319    HA   SER  46           HA       SER  46  -6.580  10.276   3.263
  320    HB2  SER  46           HB2      SER  46  -9.118   9.323   4.543
  321    HB3  SER  46           HB1      SER  46  -8.077  10.650   5.037
  322    HG   SER  46           HG       SER  46  -8.696  11.489   2.803
  323    HA   PRO  47           HA       PRO  47  -4.857   6.538   4.624
  324    HB2  PRO  47           HB2      PRO  47  -3.061   7.467   6.322
  325    HB3  PRO  47           HB1      PRO  47  -3.071   8.052   4.660
  326    HG2  PRO  47           HG2      PRO  47  -4.024   9.383   7.144
  327    HG3  PRO  47           HG1      PRO  47  -3.263  10.091   5.717
  328    HD2  PRO  47           HD2      PRO  47  -6.039   9.939   6.300
  329    HD3  PRO  47           HD1      PRO  47  -5.295  10.496   4.780
  330    H    ALA  48           HN       ALA  48  -6.833   8.229   6.745
  331    HA   ALA  48           HA       ALA  48  -6.461   6.205   8.807
  332    HB1  ALA  48           HB1      ALA  48  -5.409   8.416   9.280
  333    HB2  ALA  48           HB2      ALA  48  -6.548   7.838  10.504
  334    HB3  ALA  48           HB3      ALA  48  -7.039   9.088   9.358
  335    H    THR  49           HN       THR  49  -8.470   7.253   6.564
  336    HA   THR  49           HA       THR  49 -10.991   7.307   7.852
  337    HB   THR  49           HB       THR  49 -10.054   6.864   5.035
  338    HG1  THR  49           HG1      THR  49 -11.329   8.930   6.474
  339   HG21  THR  49          HG21      THR  49 -12.355   6.768   4.276
  340   HG22  THR  49          HG22      THR  49 -12.919   6.795   5.948
  341   HG23  THR  49          HG23      THR  49 -11.978   5.423   5.356
  342    H    ALA  50           HN       ALA  50  -9.048   4.880   6.294
  343    HA   ALA  50           HA       ALA  50  -8.829   2.624   6.787
  344    HB1  ALA  50           HB1      ALA  50 -10.289   2.677   8.745
  345    HB2  ALA  50           HB2      ALA  50 -10.619   1.280   7.717
  346    HB3  ALA  50           HB3      ALA  50 -11.702   2.676   7.686
  347    H    PHE  51           HN       PHE  51  -8.921   1.123   5.362
  348    HA   PHE  51           HA       PHE  51  -9.877   1.509   2.797
  349    HB2  PHE  51           HB2      PHE  51  -9.225  -1.012   4.298
  350    HB3  PHE  51           HB1      PHE  51  -9.564  -0.982   2.568
  351    HD1  PHE  51           HD1      PHE  51  -8.249   1.286   1.560
  352    HD2  PHE  51           HD2      PHE  51  -7.023  -1.337   4.656
  353    HE1  PHE  51           HE1      PHE  51  -5.911   1.851   1.099
  354    HE2  PHE  51           HE2      PHE  51  -4.675  -0.782   4.217
  355    HZ   PHE  51           HZ       PHE  51  -4.125   0.888   2.452
  356    H    LYS  52           HN       LYS  52 -11.313  -0.392   5.412
  357    HA   LYS  52           HA       LYS  52 -13.562  -1.346   4.161
  358    HB2  LYS  52           HB2      LYS  52 -13.273  -0.236   6.964
  359    HB3  LYS  52           HB1      LYS  52 -14.634  -1.208   6.414
  360    HG2  LYS  52           HG2      LYS  52 -12.950  -3.017   5.881
  361    HG3  LYS  52           HG1      LYS  52 -11.761  -2.026   6.720
  362    HD2  LYS  52           HD2      LYS  52 -14.321  -3.062   7.938
  363    HD3  LYS  52           HD1      LYS  52 -12.726  -3.777   8.155
  364    HE2  LYS  52           HE2      LYS  52 -11.923  -1.770   9.203
  365    HE3  LYS  52           HE1      LYS  52 -13.467  -0.966   8.929
  366    HZ1  LYS  52           HZ1      LYS  52 -13.283  -1.769  11.195
  367    HZ2  LYS  52           HZ2      LYS  52 -13.028  -3.348  10.650
  368    HZ3  LYS  52           HZ3      LYS  52 -14.515  -2.595  10.382
  369    H    ASP  53           HN       ASP  53 -12.938   1.760   5.649
  370    HA   ASP  53           HA       ASP  53 -15.596   2.747   5.227
  371    HB2  ASP  53           HB2      ASP  53 -13.059   4.000   6.299
  372    HB3  ASP  53           HB1      ASP  53 -14.560   4.909   6.098
  373    H    LEU  54           HN       LEU  54 -13.046   2.296   3.258
  374    HA   LEU  54           HA       LEU  54 -13.389   4.725   1.672
  375    HB2  LEU  54           HB2      LEU  54 -11.337   2.565   1.810
  376    HB3  LEU  54           HB1      LEU  54 -11.462   3.516   0.350
  377    HG   LEU  54           HG       LEU  54 -11.079   4.736   3.082
  378   HD11  LEU  54          HD11      LEU  54  -9.194   3.319   2.730
  379   HD12  LEU  54          HD12      LEU  54  -8.703   4.984   2.412
  380   HD13  LEU  54          HD13      LEU  54  -9.015   3.885   1.068
  381   HD21  LEU  54          HD21      LEU  54 -10.258   6.636   1.758
  382   HD22  LEU  54          HD22      LEU  54 -11.943   6.243   1.414
  383   HD23  LEU  54          HD23      LEU  54 -10.677   5.762   0.287
  384    H    GLY  55           HN       GLY  55 -14.127   1.337   1.694
  385    HA2  GLY  55           HA2      GLY  55 -16.022   0.833   0.105
  386    HA3  GLY  55           HA1      GLY  55 -14.974   1.520  -1.133
  387    H    ILE  56           HN       ILE  56 -12.848   0.171   0.785
  388    HA   ILE  56           HA       ILE  56 -12.293  -2.056  -0.843
  389    HB   ILE  56           HB       ILE  56 -11.344  -1.360   1.927
  390   HG12  ILE  56          HG12      ILE  56 -10.254   0.160   0.636
  391   HG13  ILE  56          HG11      ILE  56  -9.138  -1.180   0.517
  392   HG21  ILE  56          HG21      ILE  56  -9.523  -3.053   1.324
  393   HG22  ILE  56          HG22      ILE  56 -10.731  -3.692   0.208
  394   HG23  ILE  56          HG23      ILE  56 -11.079  -3.610   1.939
  395   HD11  ILE  56          HD11      ILE  56 -10.095  -1.802  -1.633
  396   HD12  ILE  56          HD12      ILE  56  -9.460  -0.156  -1.627
  397   HD13  ILE  56          HD13      ILE  56 -11.197  -0.423  -1.526
  398    H    ASP  57           HN       ASP  57 -13.832  -3.640  -0.984
  399    HA   ASP  57           HA       ASP  57 -13.989  -5.242   1.463
  400    HB2  ASP  57           HB2      ASP  57 -16.173  -4.055   1.040
  401    HB3  ASP  57           HB1      ASP  57 -16.303  -4.976  -0.457
  402    H    SER  58           HN       SER  58 -12.773  -6.910   1.033
  403    HA   SER  58           HA       SER  58 -11.919  -8.774   0.133
  404    HB2  SER  58           HB2      SER  58 -13.586 -10.157  -1.310
  405    HB3  SER  58           HB1      SER  58 -13.932  -9.886   0.399
  406    HG   SER  58           HG       SER  58 -15.448  -8.372  -0.152
  407    H    LEU  59           HN       LEU  59 -13.852  -7.850  -2.703
  408    HA   LEU  59           HA       LEU  59 -11.999  -8.770  -4.579
  409    HB2  LEU  59           HB2      LEU  59 -14.098  -6.626  -4.808
  410    HB3  LEU  59           HB1      LEU  59 -13.165  -7.209  -6.161
  411    HG   LEU  59           HG       LEU  59 -14.132  -9.449  -5.897
  412   HD11  LEU  59          HD11      LEU  59 -16.004  -9.827  -4.394
  413   HD12  LEU  59          HD12      LEU  59 -15.803  -8.208  -3.725
  414   HD13  LEU  59          HD13      LEU  59 -14.539  -9.418  -3.498
  415   HD21  LEU  59          HD21      LEU  59 -16.091  -7.177  -6.065
  416   HD22  LEU  59          HD22      LEU  59 -16.433  -8.834  -6.568
  417   HD23  LEU  59          HD23      LEU  59 -15.188  -7.897  -7.396
  418    H    THR  60           HN       THR  60 -12.623  -5.480  -3.450
  419    HA   THR  60           HA       THR  60 -10.448  -4.440  -5.025
  420    HB   THR  60           HB       THR  60 -11.020  -2.322  -3.595
  421    HG1  THR  60           HG1      THR  60 -13.523  -2.717  -3.306
  422   HG21  THR  60          HG21      THR  60 -11.388  -2.605  -6.004
  423   HG22  THR  60          HG22      THR  60 -12.730  -1.745  -5.239
  424   HG23  THR  60          HG23      THR  60 -12.905  -3.448  -5.669
  425    H    ALA  61           HN       ALA  61 -10.848  -5.808  -1.960
  426    HA   ALA  61           HA       ALA  61  -8.515  -4.590  -0.795
  427    HB1  ALA  61           HB1      ALA  61  -9.829  -7.186   0.008
  428    HB2  ALA  61           HB2      ALA  61 -10.347  -5.592   0.562
  429    HB3  ALA  61           HB3      ALA  61  -8.734  -6.188   0.973
  430    H    LEU  62           HN       LEU  62  -9.280  -7.487  -2.653
  431    HA   LEU  62           HA       LEU  62  -6.629  -8.512  -2.641
  432    HB2  LEU  62           HB2      LEU  62  -8.979  -9.592  -3.253
  433    HB3  LEU  62           HB1      LEU  62  -8.528  -9.041  -4.845
  434    HG   LEU  62           HG       LEU  62  -7.570 -11.038  -5.088
  435   HD11  LEU  62          HD11      LEU  62  -5.531 -10.035  -3.111
  436   HD12  LEU  62          HD12      LEU  62  -5.615  -9.562  -4.807
  437   HD13  LEU  62          HD13      LEU  62  -5.293 -11.243  -4.376
  438   HD21  LEU  62          HD21      LEU  62  -8.705 -12.017  -3.254
  439   HD22  LEU  62          HD22      LEU  62  -7.640 -11.231  -2.095
  440   HD23  LEU  62          HD23      LEU  62  -7.014 -12.508  -3.137
  441    H    GLU  63           HN       GLU  63  -8.561  -6.540  -4.954
  442    HA   GLU  63           HA       GLU  63  -6.555  -6.324  -6.892
  443    HB2  GLU  63           HB2      GLU  63  -8.651  -5.753  -7.656
  444    HB3  GLU  63           HB1      GLU  63  -9.108  -4.997  -6.140
  445    HG2  GLU  63           HG2      GLU  63  -9.023  -3.253  -7.635
  446    HG3  GLU  63           HG1      GLU  63  -7.509  -3.185  -6.737
  447    H    LEU  64           HN       LEU  64  -7.320  -4.456  -3.960
  448    HA   LEU  64           HA       LEU  64  -5.359  -2.487  -4.170
  449    HB2  LEU  64           HB2      LEU  64  -7.059  -3.491  -2.132
  450    HB3  LEU  64           HB1      LEU  64  -5.413  -3.583  -1.512
  451    HG   LEU  64           HG       LEU  64  -6.826  -1.105  -2.484
  452   HD11  LEU  64          HD11      LEU  64  -5.730  -1.755   0.248
  453   HD12  LEU  64          HD12      LEU  64  -7.414  -2.026  -0.212
  454   HD13  LEU  64          HD13      LEU  64  -6.749  -0.388  -0.218
  455   HD21  LEU  64          HD21      LEU  64  -4.477  -1.091  -3.141
  456   HD22  LEU  64          HD22      LEU  64  -4.012  -1.479  -1.487
  457   HD23  LEU  64          HD23      LEU  64  -4.778   0.070  -1.845
  458    H    ARG  65           HN       ARG  65  -5.307  -5.709  -2.959
  459    HA   ARG  65           HA       ARG  65  -2.669  -5.872  -2.046
  460    HB2  ARG  65           HB2      ARG  65  -4.305  -7.506  -1.355
  461    HB3  ARG  65           HB1      ARG  65  -4.570  -8.024  -3.017
  462    HG2  ARG  65           HG2      ARG  65  -1.853  -8.300  -1.776
  463    HG3  ARG  65           HG1      ARG  65  -3.121  -9.463  -1.393
  464    HD2  ARG  65           HD2      ARG  65  -3.377 -10.004  -3.744
  465    HD3  ARG  65           HD1      ARG  65  -2.197  -8.773  -4.182
  466    HE   ARG  65           HE       ARG  65  -0.960 -10.534  -2.406
  467   HH11  ARG  65          HH11      ARG  65  -2.324 -10.583  -5.641
  468   HH12  ARG  65          HH12      ARG  65  -1.269 -11.842  -6.200
  469   HH21  ARG  65          HH21      ARG  65   0.422 -12.207  -3.154
  470   HH22  ARG  65          HH22      ARG  65   0.286 -12.760  -4.793
  471    H    ASN  66           HN       ASN  66  -4.130  -6.869  -5.052
  472    HA   ASN  66           HA       ASN  66  -1.925  -7.857  -6.384
  473    HB2  ASN  66           HB2      ASN  66  -4.529  -6.661  -7.236
  474    HB3  ASN  66           HB1      ASN  66  -3.343  -7.096  -8.456
  475   HD21  ASN  66          HD21      ASN  66  -5.976  -8.215  -7.924
  476   HD22  ASN  66          HD22      ASN  66  -5.735  -9.898  -7.613
  477    H    THR  67           HN       THR  67  -3.034  -4.493  -6.110
  478    HA   THR  67           HA       THR  67  -1.010  -3.543  -7.907
  479    HB   THR  67           HB       THR  67  -2.631  -2.016  -5.886
  480    HG1  THR  67           HG1      THR  67  -4.008  -2.891  -7.418
  481   HG21  THR  67          HG21      THR  67  -1.012  -1.045  -8.243
  482   HG22  THR  67          HG22      THR  67  -0.616  -0.798  -6.540
  483   HG23  THR  67          HG23      THR  67  -2.052  -0.038  -7.234
  484    H    LEU  68           HN       LEU  68  -1.443  -3.404  -4.390
  485    HA   LEU  68           HA       LEU  68   0.835  -2.044  -3.657
  486    HB2  LEU  68           HB2      LEU  68  -0.245  -4.450  -2.205
  487    HB3  LEU  68           HB1      LEU  68   0.678  -3.136  -1.516
  488    HG   LEU  68           HG       LEU  68  -2.018  -2.688  -2.742
  489   HD11  LEU  68          HD11      LEU  68  -3.034  -3.081  -0.655
  490   HD12  LEU  68          HD12      LEU  68  -1.481  -3.223   0.164
  491   HD13  LEU  68          HD13      LEU  68  -2.005  -4.476  -0.957
  492   HD21  LEU  68          HD21      LEU  68  -0.428  -1.200  -0.652
  493   HD22  LEU  68          HD22      LEU  68  -2.006  -0.735  -1.287
  494   HD23  LEU  68          HD23      LEU  68  -0.595  -0.729  -2.344
  495    H    THR  69           HN       THR  69   0.484  -5.579  -3.692
  496    HA   THR  69           HA       THR  69   3.132  -6.104  -2.976
  497    HB   THR  69           HB       THR  69   0.977  -7.596  -2.934
  498    HG1  THR  69           HG1      THR  69   3.482  -8.785  -3.602
  499   HG21  THR  69          HG21      THR  69   0.929  -9.284  -4.717
  500   HG22  THR  69          HG22      THR  69   2.178  -8.391  -5.586
  501   HG23  THR  69          HG23      THR  69   0.590  -7.666  -5.336
  502    H    HIS  70           HN       HIS  70   1.687  -5.358  -6.018
  503    HA   HIS  70           HA       HIS  70   3.795  -6.348  -7.668
  504    HB2  HIS  70           HB2      HIS  70   1.477  -6.002  -8.489
  505    HB3  HIS  70           HB1      HIS  70   1.656  -4.278  -8.230
  506    HD1  HIS  70           HD1      HIS  70   2.240  -6.917 -10.699
  507    HD2  HIS  70           HD2      HIS  70   3.501  -3.018 -10.037
  508    HE1  HIS  70           HE1      HIS  70   3.207  -6.144 -12.887
  509    HE2  HIS  70           HE2      HIS  70   3.770  -3.717 -12.514
  510    H    ASN  71           HN       ASN  71   2.931  -3.218  -6.285
  511    HA   ASN  71           HA       ASN  71   5.068  -1.822  -7.601
  512    HB2  ASN  71           HB2      ASN  71   3.055  -1.026  -5.541
  513    HB3  ASN  71           HB1      ASN  71   4.345   0.057  -6.058
  514   HD21  ASN  71          HD21      ASN  71   1.464  -1.611  -7.000
  515   HD22  ASN  71          HD22      ASN  71   1.167  -0.700  -8.434
  516    H    THR  72           HN       THR  72   4.773  -3.584  -4.696
  517    HA   THR  72           HA       THR  72   7.154  -2.287  -3.588
  518    HB   THR  72           HB       THR  72   6.401  -3.256  -1.429
  519    HG1  THR  72           HG1      THR  72   3.932  -3.803  -2.714
  520   HG21  THR  72          HG21      THR  72   4.913  -1.519  -1.020
  521   HG22  THR  72          HG22      THR  72   4.079  -1.741  -2.555
  522   HG23  THR  72          HG23      THR  72   5.659  -0.958  -2.520
  523    H    GLY  73           HN       GLY  73   6.037  -5.080  -5.104
  524    HA2  GLY  73           HA2      GLY  73   7.511  -6.662  -6.002
  525    HA3  GLY  73           HA1      GLY  73   8.754  -6.011  -4.954
  526    H    LEU  74           HN       LEU  74   6.035  -6.535  -3.244
  527    HA   LEU  74           HA       LEU  74   7.324  -8.606  -1.761
  528    HB2  LEU  74           HB2      LEU  74   5.717  -6.476  -1.188
  529    HB3  LEU  74           HB1      LEU  74   4.613  -7.816  -1.001
  530    HG   LEU  74           HG       LEU  74   6.331  -8.875   0.516
  531   HD11  LEU  74          HD11      LEU  74   8.180  -7.449  -0.401
  532   HD12  LEU  74          HD12      LEU  74   8.094  -7.527   1.364
  533   HD13  LEU  74          HD13      LEU  74   7.499  -6.101   0.514
  534   HD21  LEU  74          HD21      LEU  74   5.428  -6.209   1.538
  535   HD22  LEU  74          HD22      LEU  74   5.531  -7.751   2.388
  536   HD23  LEU  74          HD23      LEU  74   4.275  -7.491   1.181
  537    H    ASP  75           HN       ASP  75   5.924 -10.319  -0.811
  538    HA   ASP  75           HA       ASP  75   4.244 -11.579  -2.868
  539    HB2  ASP  75           HB2      ASP  75   6.484 -12.565  -2.899
  540    HB3  ASP  75           HB1      ASP  75   6.362 -12.871  -1.177
  541    H    LEU  76           HN       LEU  76   2.840 -10.313  -1.239
  542    HA   LEU  76           HA       LEU  76   2.138 -12.082   1.005
  543    HB2  LEU  76           HB2      LEU  76   2.231  -9.140   0.733
  544    HB3  LEU  76           HB1      LEU  76   0.860  -9.781   1.615
  545    HG   LEU  76           HG       LEU  76   2.734  -9.126   3.088
  546   HD11  LEU  76          HD11      LEU  76   1.131 -10.887   3.739
  547   HD12  LEU  76          HD12      LEU  76   2.725 -11.097   4.461
  548   HD13  LEU  76          HD13      LEU  76   2.242 -12.098   3.093
  549   HD21  LEU  76          HD21      LEU  76   4.761 -10.486   3.147
  550   HD22  LEU  76          HD22      LEU  76   4.588  -9.660   1.598
  551   HD23  LEU  76          HD23      LEU  76   4.210 -11.377   1.728
  552    HA   PRO  77           HA       PRO  77  -1.629 -12.836  -1.231
  553    HB2  PRO  77           HB2      PRO  77  -2.842 -14.331   0.668
  554    HB3  PRO  77           HB1      PRO  77  -1.486 -14.942  -0.284
  555    HG2  PRO  77           HG2      PRO  77  -1.508 -13.831   2.491
  556    HG3  PRO  77           HG1      PRO  77  -0.655 -15.252   1.862
  557    HD2  PRO  77           HD2      PRO  77   0.542 -12.839   2.245
  558    HD3  PRO  77           HD1      PRO  77   1.061 -13.995   1.003
  559    HA   PRO  78           HA       PRO  78  -5.146 -10.314   0.212
  560    HB2  PRO  78           HB2      PRO  78  -6.860 -12.372   1.145
  561    HB3  PRO  78           HB1      PRO  78  -6.909 -11.563  -0.418
  562    HG2  PRO  78           HG2      PRO  78  -5.692 -14.162   0.329
  563    HG3  PRO  78           HG1      PRO  78  -6.418 -13.659  -1.207
  564    HD2  PRO  78           HD2      PRO  78  -3.777 -13.892  -0.950
  565    HD3  PRO  78           HD1      PRO  78  -4.485 -12.566  -1.897
  566    H    THR  79           HN       THR  79  -6.928 -10.520   2.238
  567    HA   THR  79           HA       THR  79  -7.191  -9.932   4.343
  568    HB   THR  79           HB       THR  79  -6.195 -11.350   6.132
  569    HG1  THR  79           HG1      THR  79  -4.562 -12.118   4.107
  570   HG21  THR  79          HG21      THR  79  -7.447 -13.368   5.504
  571   HG22  THR  79          HG22      THR  79  -7.537 -12.783   3.843
  572   HG23  THR  79          HG23      THR  79  -8.340 -11.892   5.136
  573    H    LEU  80           HN       LEU  80  -4.734  -8.915   2.790
  574    HA   LEU  80           HA       LEU  80  -2.999  -7.924   4.830
  575    HB2  LEU  80           HB2      LEU  80  -2.967  -8.031   2.068
  576    HB3  LEU  80           HB1      LEU  80  -3.216  -6.326   2.385
  577    HG   LEU  80           HG       LEU  80  -0.853  -6.809   2.095
  578   HD11  LEU  80          HD11      LEU  80  -1.431  -5.017   3.616
  579   HD12  LEU  80          HD12      LEU  80   0.008  -5.860   4.183
  580   HD13  LEU  80          HD13      LEU  80  -1.549  -6.160   4.952
  581   HD21  LEU  80          HD21      LEU  80  -0.893  -9.152   2.803
  582   HD22  LEU  80          HD22      LEU  80  -1.145  -8.640   4.472
  583   HD23  LEU  80          HD23      LEU  80   0.359  -8.236   3.644
  584    H    ILE  81           HN       ILE  81  -5.844  -6.719   3.154
  585    HA   ILE  81           HA       ILE  81  -5.862  -4.146   4.395
  586    HB   ILE  81           HB       ILE  81  -8.247  -5.646   3.287
  587   HG12  ILE  81          HG12      ILE  81  -6.663  -5.577   1.526
  588   HG13  ILE  81          HG11      ILE  81  -7.764  -4.245   1.243
  589   HG21  ILE  81          HG21      ILE  81  -7.809  -2.687   3.333
  590   HG22  ILE  81          HG22      ILE  81  -8.608  -3.539   4.661
  591   HG23  ILE  81          HG23      ILE  81  -9.305  -3.573   3.039
  592   HD11  ILE  81          HD11      ILE  81  -5.081  -4.016   2.557
  593   HD12  ILE  81          HD12      ILE  81  -6.179  -2.697   2.150
  594   HD13  ILE  81          HD13      ILE  81  -5.433  -3.653   0.867
  595    H    PHE  82           HN       PHE  82  -7.115  -7.271   5.196
  596    HA   PHE  82           HA       PHE  82  -8.672  -6.520   7.419
  597    HB2  PHE  82           HB2      PHE  82  -7.374  -9.144   6.665
  598    HB3  PHE  82           HB1      PHE  82  -8.549  -8.949   7.955
  599    HD1  PHE  82           HD1      PHE  82 -10.765  -9.450   7.469
  600    HD2  PHE  82           HD2      PHE  82  -8.180  -8.142   4.346
  601    HE1  PHE  82           HE1      PHE  82 -12.576  -9.765   5.840
  602    HE2  PHE  82           HE2      PHE  82  -9.987  -8.462   2.717
  603    HZ   PHE  82           HZ       PHE  82 -12.235  -9.302   3.515
  604    H    ASP  83           HN       ASP  83  -5.290  -7.314   6.976
  605    HA   ASP  83           HA       ASP  83  -4.737  -7.344   9.819
  606    HB2  ASP  83           HB2      ASP  83  -3.518  -8.770   8.113
  607    HB3  ASP  83           HB1      ASP  83  -2.745  -7.296   7.549
  608    H    HIS  84           HN       HIS  84  -4.484  -5.182   7.106
  609    HA   HIS  84           HA       HIS  84  -3.687  -2.997   8.910
  610    HB2  HIS  84           HB2      HIS  84  -2.626  -3.607   6.157
  611    HB3  HIS  84           HB1      HIS  84  -2.416  -2.048   6.927
  612    HD1  HIS  84           HD1      HIS  84  -0.704  -1.938   8.899
  613    HD2  HIS  84           HD2      HIS  84  -1.089  -5.687   7.153
  614    HE1  HIS  84           HE1      HIS  84   1.232  -3.279   9.764
  615    HE2  HIS  84           HE2      HIS  84   0.843  -5.602   8.874
  616    HA   PRO  85           HA       PRO  85  -7.535  -2.131   6.771
  617    HB2  PRO  85           HB2      PRO  85  -8.846  -0.954   8.765
  618    HB3  PRO  85           HB1      PRO  85  -8.471  -2.682   8.817
  619    HG2  PRO  85           HG2      PRO  85  -7.097  -0.401  10.182
  620    HG3  PRO  85           HG1      PRO  85  -7.495  -2.008  10.817
  621    HD2  PRO  85           HD2      PRO  85  -5.017  -1.252   9.823
  622    HD3  PRO  85           HD1      PRO  85  -5.586  -2.925   9.972
  623    H    THR  86           HN       THR  86  -5.142   0.153   7.403
  624    HA   THR  86           HA       THR  86  -6.857   2.182   6.168
  625    HB   THR  86           HB       THR  86  -5.752   3.957   7.398
  626    HG1  THR  86           HG1      THR  86  -4.408   3.235   9.255
  627   HG21  THR  86          HG21      THR  86  -7.770   3.071   8.404
  628   HG22  THR  86          HG22      THR  86  -6.621   3.509   9.666
  629   HG23  THR  86          HG23      THR  86  -6.842   1.816   9.224
  630    HA   PRO  87           HA       PRO  87  -3.687   2.625   3.053
  631    HB2  PRO  87           HB2      PRO  87  -3.841   5.550   3.490
  632    HB3  PRO  87           HB1      PRO  87  -3.969   4.626   1.994
  633    HG2  PRO  87           HG2      PRO  87  -6.142   5.665   3.145
  634    HG3  PRO  87           HG1      PRO  87  -6.185   4.083   2.347
  635    HD2  PRO  87           HD2      PRO  87  -6.150   4.738   5.260
  636    HD3  PRO  87           HD1      PRO  87  -6.967   3.414   4.405
  637    H    HIS  88           HN       HIS  88  -3.447   4.598   5.946
  638    HA   HIS  88           HA       HIS  88  -0.648   4.921   6.005
  639    HB2  HIS  88           HB2      HIS  88  -2.303   6.119   7.458
  640    HB3  HIS  88           HB1      HIS  88  -2.542   4.627   8.349
  641    HD1  HIS  88           HD1      HIS  88   0.371   6.919   7.464
  642    HD2  HIS  88           HD2      HIS  88  -0.992   4.476  10.542
  643    HE1  HIS  88           HE1      HIS  88   2.040   7.185   9.328
  644    HE2  HIS  88           HE2      HIS  88   1.234   5.647  11.156
  645    H    ALA  89           HN       ALA  89  -2.752   2.492   7.519
  646    HA   ALA  89           HA       ALA  89  -0.817   0.899   8.706
  647    HB1  ALA  89           HB1      ALA  89  -3.461   0.073   7.534
  648    HB2  ALA  89           HB2      ALA  89  -3.178   0.671   9.173
  649    HB3  ALA  89           HB3      ALA  89  -2.495  -0.877   8.667
  650    H    LEU  90           HN       LEU  90  -2.393   0.273   5.533
  651    HA   LEU  90           HA       LEU  90  -0.889  -1.895   4.756
  652    HB2  LEU  90           HB2      LEU  90  -2.685  -0.109   3.552
  653    HB3  LEU  90           HB1      LEU  90  -1.268  -0.105   2.546
  654    HG   LEU  90           HG       LEU  90  -1.429  -2.450   2.138
  655   HD11  LEU  90          HD11      LEU  90  -3.201  -3.818   3.083
  656   HD12  LEU  90          HD12      LEU  90  -3.769  -2.448   4.036
  657   HD13  LEU  90          HD13      LEU  90  -2.183  -3.150   4.355
  658   HD21  LEU  90          HD21      LEU  90  -4.109  -1.097   1.921
  659   HD22  LEU  90          HD22      LEU  90  -3.622  -2.544   1.046
  660   HD23  LEU  90          HD23      LEU  90  -2.794  -1.015   0.748
  661    H    THR  91           HN       THR  91  -0.200   1.513   4.350
  662    HA   THR  91           HA       THR  91   2.150   1.286   2.913
  663    HB   THR  91           HB       THR  91   1.117   3.372   4.826
  664    HG1  THR  91           HG1      THR  91   0.039   3.560   2.975
  665   HG21  THR  91          HG21      THR  91   3.746   3.341   3.393
  666   HG22  THR  91          HG22      THR  91   3.401   3.754   5.071
  667   HG23  THR  91          HG23      THR  91   2.930   4.856   3.776
  668    H    GLN  92           HN       GLN  92   1.582   1.425   6.394
  669    HA   GLN  92           HA       GLN  92   4.196   1.328   7.319
  670    HB2  GLN  92           HB2      GLN  92   1.691   0.119   8.502
  671    HB3  GLN  92           HB1      GLN  92   3.192   0.336   9.382
  672    HG2  GLN  92           HG2      GLN  92   2.950   2.818   8.806
  673    HG3  GLN  92           HG1      GLN  92   1.298   2.410   8.360
  674   HE21  GLN  92          HE21      GLN  92   3.563   2.727  10.961
  675   HE22  GLN  92          HE22      GLN  92   2.412   2.622  12.247
  676    H    HIS  93           HN       HIS  93   2.050  -1.282   6.335
  677    HA   HIS  93           HA       HIS  93   3.623  -3.473   7.085
  678    HB2  HIS  93           HB2      HIS  93   1.358  -3.845   6.406
  679    HB3  HIS  93           HB1      HIS  93   1.626  -3.080   4.848
  680    HD1  HIS  93           HD1      HIS  93   2.505  -6.265   6.719
  681    HD2  HIS  93           HD2      HIS  93   2.371  -4.763   2.836
  682    HE1  HIS  93           HE1      HIS  93   2.914  -8.236   5.218
  683    HE2  HIS  93           HE2      HIS  93   2.654  -7.337   2.882
  684    H    LEU  94           HN       LEU  94   3.513  -1.764   3.938
  685    HA   LEU  94           HA       LEU  94   5.595  -3.425   2.857
  686    HB2  LEU  94           HB2      LEU  94   4.364  -0.866   1.829
  687    HB3  LEU  94           HB1      LEU  94   5.396  -1.944   0.907
  688    HG   LEU  94           HG       LEU  94   2.807  -2.872   2.123
  689   HD11  LEU  94          HD11      LEU  94   1.634  -2.401   0.181
  690   HD12  LEU  94          HD12      LEU  94   3.094  -2.019  -0.733
  691   HD13  LEU  94          HD13      LEU  94   2.526  -0.923   0.538
  692   HD21  LEU  94          HD21      LEU  94   4.430  -3.913  -0.213
  693   HD22  LEU  94          HD22      LEU  94   2.971  -4.640   0.470
  694   HD23  LEU  94          HD23      LEU  94   4.451  -4.579   1.423
  695    H    HIS  95           HN       HIS  95   5.516  -0.433   4.615
  696    HA   HIS  95           HA       HIS  95   8.156   0.424   3.775
  697    HB2  HIS  95           HB2      HIS  95   6.364   2.019   4.588
  698    HB3  HIS  95           HB1      HIS  95   6.566   1.333   6.193
  699    HD1  HIS  95           HD1      HIS  95   8.728   1.923   7.481
  700    HD2  HIS  95           HD2      HIS  95   8.404   3.782   3.774
  701    HE1  HIS  95           HE1      HIS  95  10.506   3.694   7.459
  702    HE2  HIS  95           HE2      HIS  95  10.428   4.646   5.134
  703    H    THR  96           HN       THR  96   6.752  -1.679   6.109
  704    HA   THR  96           HA       THR  96   9.098  -1.776   7.781
  705    HB   THR  96           HB       THR  96   6.323  -2.881   7.807
  706    HG1  THR  96           HG1      THR  96   6.160  -1.657   9.539
  707   HG21  THR  96          HG21      THR  96   6.834  -4.342   9.670
  708   HG22  THR  96          HG22      THR  96   8.556  -3.983   9.493
  709   HG23  THR  96          HG23      THR  96   7.689  -4.823   8.205
  710    H    ARG  97           HN       ARG  97   7.359  -3.678   5.370
  711    HA   ARG  97           HA       ARG  97   8.888  -6.012   5.517
  712    HB2  ARG  97           HB2      ARG  97   7.147  -4.804   3.427
  713    HB3  ARG  97           HB1      ARG  97   8.077  -6.242   3.056
  714    HG2  ARG  97           HG2      ARG  97   6.247  -5.983   5.394
  715    HG3  ARG  97           HG1      ARG  97   5.744  -6.634   3.831
  716    HD2  ARG  97           HD2      ARG  97   7.818  -7.724   5.726
  717    HD3  ARG  97           HD1      ARG  97   6.309  -8.470   5.209
  718    HE   ARG  97           HE       ARG  97   8.439  -7.960   3.256
  719   HH11  ARG  97          HH11      ARG  97   6.376 -10.216   4.965
  720   HH12  ARG  97          HH12      ARG  97   6.840 -11.570   3.986
  721   HH21  ARG  97          HH21      ARG  97   9.061  -9.725   1.982
  722   HH22  ARG  97          HH22      ARG  97   8.369 -11.289   2.277
  723    H    LEU  98           HN       LEU  98   9.610  -2.984   4.149
  724    HA   LEU  98           HA       LEU  98  11.552  -3.599   2.291
  725    HB2  LEU  98           HB2      LEU  98  11.005  -1.319   4.022
  726    HB3  LEU  98           HB1      LEU  98  12.658  -1.431   3.478
  727    HG   LEU  98           HG       LEU  98  12.035  -0.376   1.617
  728   HD11  LEU  98          HD11      LEU  98  12.070  -2.663   0.715
  729   HD12  LEU  98          HD12      LEU  98  10.933  -1.621  -0.136
  730   HD13  LEU  98          HD13      LEU  98  10.337  -2.799   1.034
  731   HD21  LEU  98          HD21      LEU  98   9.196  -0.993   2.345
  732   HD22  LEU  98          HD22      LEU  98   9.722   0.113   1.073
  733   HD23  LEU  98          HD23      LEU  98  10.090   0.470   2.763
  734    H    THR  99           HN       THR  99  11.632  -4.310   5.592
  735    HA   THR  99           HA       THR  99  14.497  -4.903   5.394
  736    HB   THR  99           HB       THR  99  14.481  -3.095   6.839
  737    HG1  THR  99           HG1      THR  99  15.397  -5.179   7.719
  738   HG21  THR  99          HG21      THR  99  12.104  -4.235   8.268
  739   HG22  THR  99          HG22      THR  99  12.094  -2.863   7.151
  740   HG23  THR  99          HG23      THR  99  12.952  -2.748   8.694
  741    H    GLN 100           HN       GLN 100  11.562  -5.660   7.236
  742    HA   GLN 100           HA       GLN 100  12.654  -8.232   7.978
  743    HB2  GLN 100           HB2      GLN 100  10.469  -8.414   9.242
  744    HB3  GLN 100           HB1      GLN 100  11.497  -7.077   9.710
  745    HG2  GLN 100           HG2      GLN 100   9.491  -6.062   9.634
  746    HG3  GLN 100           HG1      GLN 100  10.067  -5.757   7.993
  747   HE21  GLN 100          HE21      GLN 100   8.905  -8.884   9.106
  748   HE22  GLN 100          HE22      GLN 100   7.459  -8.891   8.165
  749    H    SER 101           HN       SER 101  11.992 -10.197   7.213
  750    HA   SER 101           HA       SER 101   9.722 -10.487   5.515
  751    HB2  SER 101           HB2      SER 101  11.050 -11.093   3.470
  752    HB3  SER 101           HB1      SER 101  11.088  -9.384   3.899
  753    HG   SER 101           HG       SER 101  13.168  -9.660   3.754
  754    H    HIS 102           HN       HIS 102   9.756 -12.665   4.421
  755    HA   HIS 102           HA       HIS 102  11.403 -14.731   5.354
  756    HB2  HIS 102           HB2      HIS 102   9.732 -15.939   6.780
  757    HB3  HIS 102           HB1      HIS 102  10.399 -14.503   7.513
  758    HD1  HIS 102           HD1      HIS 102   7.346 -16.146   7.403
  759    HD2  HIS 102           HD2      HIS 102   8.462 -12.209   6.741
  760    HE1  HIS 102           HE1      HIS 102   5.257 -14.789   7.756
  761    HE2  HIS 102           HE2      HIS 102   6.013 -12.393   7.566
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   9.479  -3.881 -16.106
    2    H2   GLY   1           HT2      GLY   1   7.827  -3.949 -16.462
    3    H3   GLY   1           HT3      GLY   1   8.956  -4.502 -17.588
    4    HA2  GLY   1           HA1      GLY   1   7.855  -6.336 -16.441
    5    HA3  GLY   1           HA2      GLY   1   9.593  -6.311 -16.176
    6    H    ALA   2           HN       ALA   2   8.497  -7.725 -14.354
    7    HA   ALA   2           HA       ALA   2   8.551  -6.054 -11.974
    8    HB1  ALA   2           HB1      ALA   2   6.512  -6.994 -11.045
    9    HB2  ALA   2           HB2      ALA   2   6.250  -7.926 -12.519
   10    HB3  ALA   2           HB3      ALA   2   6.173  -6.165 -12.564
   11    H    ALA   3           HN       ALA   3  10.597  -7.559 -12.627
   12    HA   ALA   3           HA       ALA   3  10.479 -10.217 -11.559
   13    HB1  ALA   3           HB1      ALA   3  12.860  -8.446 -12.117
   14    HB2  ALA   3           HB2      ALA   3  12.144  -9.605 -13.237
   15    HB3  ALA   3           HB3      ALA   3  12.922 -10.171 -11.759
   16    H    SER   4           HN       SER   4  10.866  -7.066 -10.343
   17    HA   SER   4           HA       SER   4  10.503  -7.707  -7.678
   18    HB2  SER   4           HB2      SER   4  12.829  -8.609  -7.789
   19    HB3  SER   4           HB1      SER   4  13.387  -7.002  -8.252
   20    HG   SER   4           HG       SER   4  13.233  -7.826  -5.857
   21    H    ALA   5           HN       ALA   5   9.093  -5.994  -7.822
   22    HA   ALA   5           HA       ALA   5  10.166  -3.364  -8.426
   23    HB1  ALA   5           HB1      ALA   5   7.882  -3.877  -9.104
   24    HB2  ALA   5           HB2      ALA   5   7.912  -2.543  -7.953
   25    HB3  ALA   5           HB3      ALA   5   7.434  -4.154  -7.423
   26    H    ALA   6           HN       ALA   6  10.578  -5.344  -5.967
   27    HA   ALA   6           HA       ALA   6  10.140  -3.555  -3.739
   28    HB1  ALA   6           HB1      ALA   6   9.910  -5.943  -3.418
   29    HB2  ALA   6           HB2      ALA   6  11.266  -5.348  -2.454
   30    HB3  ALA   6           HB3      ALA   6  11.568  -6.207  -3.969
   31    H    THR   7           HN       THR   7  12.534  -4.240  -6.043
   32    HA   THR   7           HA       THR   7  14.555  -2.757  -4.534
   33    HB   THR   7           HB       THR   7  15.365  -4.845  -5.467
   34    HG1  THR   7           HG1      THR   7  16.889  -3.196  -5.424
   35   HG21  THR   7          HG21      THR   7  13.820  -5.061  -7.355
   36   HG22  THR   7          HG22      THR   7  15.497  -5.223  -7.880
   37   HG23  THR   7          HG23      THR   7  14.627  -3.717  -8.167
   38    H    ASP   8           HN       ASP   8  12.035  -2.254  -6.568
   39    HA   ASP   8           HA       ASP   8  13.224   0.064  -7.876
   40    HB2  ASP   8           HB2      ASP   8  10.919  -1.671  -8.386
   41    HB3  ASP   8           HB1      ASP   8  10.597   0.050  -8.564
   42    H    LEU   9           HN       LEU   9  10.862  -1.055  -5.605
   43    HA   LEU   9           HA       LEU   9   9.619   1.418  -5.084
   44    HB2  LEU   9           HB2      LEU   9   8.496  -0.552  -4.369
   45    HB3  LEU   9           HB1      LEU   9   9.888  -1.106  -3.469
   46    HG   LEU   9           HG       LEU   9   9.615   0.912  -1.995
   47   HD11  LEU   9          HD11      LEU   9   8.245   2.219  -3.555
   48   HD12  LEU   9          HD12      LEU   9   7.468   2.026  -1.975
   49   HD13  LEU   9          HD13      LEU   9   6.924   1.053  -3.344
   50   HD21  LEU   9          HD21      LEU   9   7.996  -0.157  -0.620
   51   HD22  LEU   9          HD22      LEU   9   8.938  -1.401  -1.445
   52   HD23  LEU   9          HD23      LEU   9   7.314  -1.013  -1.999
   53    H    ALA  10           HN       ALA  10  11.884  -0.516  -3.251
   54    HA   ALA  10           HA       ALA  10  12.714   1.465  -1.425
   55    HB1  ALA  10           HB1      ALA  10  14.625   0.017  -0.985
   56    HB2  ALA  10           HB2      ALA  10  14.296  -0.894  -2.460
   57    HB3  ALA  10           HB3      ALA  10  13.145  -0.934  -1.123
   58    H    ALA  11           HN       ALA  11  13.073   1.499  -4.699
   59    HA   ALA  11           HA       ALA  11  15.603   2.899  -4.749
   60    HB1  ALA  11           HB1      ALA  11  15.167   1.412  -6.569
   61    HB2  ALA  11           HB2      ALA  11  15.161   3.072  -7.169
   62    HB3  ALA  11           HB3      ALA  11  13.633   2.221  -6.905
   63    H    ARG  12           HN       ARG  12  12.081   3.563  -5.106
   64    HA   ARG  12           HA       ARG  12  12.335   6.343  -5.458
   65    HB2  ARG  12           HB2      ARG  12  10.254   4.515  -4.349
   66    HB3  ARG  12           HB1      ARG  12  10.028   6.246  -4.235
   67    HG2  ARG  12           HG2      ARG  12   8.849   5.670  -6.115
   68    HG3  ARG  12           HG1      ARG  12  10.399   6.187  -6.781
   69    HD2  ARG  12           HD2      ARG  12  11.096   3.989  -7.154
   70    HD3  ARG  12           HD1      ARG  12   9.848   3.347  -6.086
   71    HE   ARG  12           HE       ARG  12   8.998   4.727  -8.522
   72   HH11  ARG  12          HH11      ARG  12   9.471   1.680  -6.862
   73   HH12  ARG  12          HH12      ARG  12   8.440   0.793  -7.936
   74   HH21  ARG  12          HH21      ARG  12   7.636   3.554  -9.925
   75   HH22  ARG  12          HH22      ARG  12   7.392   1.855  -9.666
   76    H    LEU  13           HN       LEU  13  12.439   4.183  -2.783
   77    HA   LEU  13           HA       LEU  13  12.150   6.169  -0.723
   78    HB2  LEU  13           HB2      LEU  13  12.640   3.230  -0.832
   79    HB3  LEU  13           HB1      LEU  13  12.859   4.082   0.679
   80    HG   LEU  13           HG       LEU  13  10.549   4.632   0.814
   81   HD11  LEU  13          HD11      LEU  13   8.966   3.929  -0.994
   82   HD12  LEU  13          HD12      LEU  13  10.393   3.779  -2.039
   83   HD13  LEU  13          HD13      LEU  13   9.976   5.338  -1.315
   84   HD21  LEU  13          HD21      LEU  13  11.106   2.325   1.402
   85   HD22  LEU  13          HD22      LEU  13  10.716   1.833  -0.247
   86   HD23  LEU  13          HD23      LEU  13   9.458   2.490   0.799
   87    H    ASN  14           HN       ASN  14  14.645   4.303  -2.215
   88    HA   ASN  14           HA       ASN  14  16.902   4.712  -0.833
   89    HB2  ASN  14           HB2      ASN  14  16.217   3.899  -3.315
   90    HB3  ASN  14           HB1      ASN  14  17.118   5.364  -3.695
   91   HD21  ASN  14          HD21      ASN  14  17.242   2.132  -2.596
   92   HD22  ASN  14          HD22      ASN  14  18.961   1.990  -2.519
   93    H    GLY  15           HN       GLY  15  17.873   6.402   0.022
   94    HA2  GLY  15           HA2      GLY  15  19.018   8.456  -0.092
   95    HA3  GLY  15           HA1      GLY  15  18.041   8.900  -1.484
   96    H    LEU  16           HN       LEU  16  15.746   7.800   0.365
   97    HA   LEU  16           HA       LEU  16  15.154  10.475   1.379
   98    HB2  LEU  16           HB2      LEU  16  13.496   8.138   0.552
   99    HB3  LEU  16           HB1      LEU  16  12.819   9.303   1.664
  100    HG   LEU  16           HG       LEU  16  12.088   9.872  -0.529
  101   HD11  LEU  16          HD11      LEU  16  14.343  11.738   0.116
  102   HD12  LEU  16          HD12      LEU  16  12.841  11.666   1.034
  103   HD13  LEU  16          HD13      LEU  16  12.811  12.117  -0.673
  104   HD21  LEU  16          HD21      LEU  16  13.763   8.688  -1.831
  105   HD22  LEU  16          HD22      LEU  16  14.992   9.853  -1.336
  106   HD23  LEU  16          HD23      LEU  16  13.646  10.368  -2.353
  107    H    SER  17           HN       SER  17  14.008  10.689   3.380
  108    HA   SER  17           HA       SER  17  15.123   9.074   5.511
  109    HB2  SER  17           HB2      SER  17  13.197  11.409   5.561
  110    HB3  SER  17           HB1      SER  17  14.026  10.730   6.956
  111    HG   SER  17           HG       SER  17  15.642  11.474   4.830
  112    HA   PRO  18           HA       PRO  18  12.008   6.161   6.336
  113    HB2  PRO  18           HB2      PRO  18  11.419   7.616   8.888
  114    HB3  PRO  18           HB1      PRO  18  11.674   5.886   8.614
  115    HG2  PRO  18           HG2      PRO  18  13.647   7.315   9.616
  116    HG3  PRO  18           HG1      PRO  18  13.991   6.153   8.319
  117    HD2  PRO  18           HD2      PRO  18  13.766   9.122   8.178
  118    HD3  PRO  18           HD1      PRO  18  14.894   8.031   7.347
  119    H    GLN  19           HN       GLN  19  10.823   9.343   7.452
  120    HA   GLN  19           HA       GLN  19   8.083   8.734   6.953
  121    HB2  GLN  19           HB2      GLN  19   8.845  10.508   8.520
  122    HB3  GLN  19           HB1      GLN  19   9.344  11.463   7.130
  123    HG2  GLN  19           HG2      GLN  19   6.958  11.212   6.315
  124    HG3  GLN  19           HG1      GLN  19   6.580  10.664   7.944
  125   HE21  GLN  19          HE21      GLN  19   6.699  12.113   9.657
  126   HE22  GLN  19          HE22      GLN  19   6.756  13.825   9.410
  127    H    GLN  20           HN       GLN  20  10.633  10.092   4.965
  128    HA   GLN  20           HA       GLN  20   8.936  11.036   2.854
  129    HB2  GLN  20           HB2      GLN  20  11.868  10.340   3.018
  130    HB3  GLN  20           HB1      GLN  20  11.112  10.840   1.513
  131    HG2  GLN  20           HG2      GLN  20  11.172  12.495   4.016
  132    HG3  GLN  20           HG1      GLN  20  12.304  12.653   2.683
  133   HE21  GLN  20          HE21      GLN  20  10.481  14.632   3.728
  134   HE22  GLN  20          HE22      GLN  20   9.447  15.083   2.417
  135    H    GLN  21           HN       GLN  21  10.949   8.199   3.386
  136    HA   GLN  21           HA       GLN  21  10.289   6.692   1.135
  137    HB2  GLN  21           HB2      GLN  21  11.008   5.881   3.963
  138    HB3  GLN  21           HB1      GLN  21  10.892   4.735   2.637
  139    HG2  GLN  21           HG2      GLN  21  12.647   5.911   1.449
  140    HG3  GLN  21           HG1      GLN  21  12.765   7.093   2.751
  141   HE21  GLN  21          HE21      GLN  21  12.395   5.037   4.825
  142   HE22  GLN  21          HE22      GLN  21  13.889   4.179   4.907
  143    H    GLN  22           HN       GLN  22   8.619   7.242   4.129
  144    HA   GLN  22           HA       GLN  22   6.599   5.294   3.819
  145    HB2  GLN  22           HB2      GLN  22   7.197   6.539   5.924
  146    HB3  GLN  22           HB1      GLN  22   6.383   7.918   5.239
  147    HG2  GLN  22           HG2      GLN  22   4.387   6.282   5.020
  148    HG3  GLN  22           HG1      GLN  22   5.305   5.376   6.213
  149   HE21  GLN  22          HE21      GLN  22   5.247   8.866   6.067
  150   HE22  GLN  22          HE22      GLN  22   4.378   9.098   7.540
  151    H    GLN  23           HN       GLN  23   6.748   8.756   3.108
  152    HA   GLN  23           HA       GLN  23   4.268   9.276   2.137
  153    HB2  GLN  23           HB2      GLN  23   6.889  10.266   1.175
  154    HB3  GLN  23           HB1      GLN  23   5.354  10.979   0.710
  155    HG2  GLN  23           HG2      GLN  23   4.875  11.573   2.969
  156    HG3  GLN  23           HG1      GLN  23   6.278  10.703   3.549
  157   HE21  GLN  23          HE21      GLN  23   6.321  12.634   0.652
  158   HE22  GLN  23          HE22      GLN  23   7.328  13.897   1.269
  159    H    THR  24           HN       THR  24   6.945   7.898   0.267
  160    HA   THR  24           HA       THR  24   5.724   7.926  -2.246
  161    HB   THR  24           HB       THR  24   7.832   6.246  -0.958
  162    HG1  THR  24           HG1      THR  24   8.140   7.731  -3.325
  163   HG21  THR  24          HG21      THR  24   6.913   5.917  -3.818
  164   HG22  THR  24          HG22      THR  24   6.568   4.775  -2.521
  165   HG23  THR  24          HG23      THR  24   8.238   5.060  -3.024
  166    H    LEU  25           HN       LEU  25   5.643   5.427   0.293
  167    HA   LEU  25           HA       LEU  25   3.818   3.736  -1.182
  168    HB2  LEU  25           HB2      LEU  25   4.444   3.872   1.751
  169    HB3  LEU  25           HB1      LEU  25   3.551   2.588   0.972
  170    HG   LEU  25           HG       LEU  25   6.341   3.168   0.089
  171   HD11  LEU  25          HD11      LEU  25   7.228   1.790   1.837
  172   HD12  LEU  25          HD12      LEU  25   5.613   1.469   2.470
  173   HD13  LEU  25          HD13      LEU  25   6.295   3.096   2.577
  174   HD21  LEU  25          HD21      LEU  25   6.304   0.753  -0.323
  175   HD22  LEU  25          HD22      LEU  25   4.978   1.567  -1.152
  176   HD23  LEU  25          HD23      LEU  25   4.670   0.666   0.333
  177    H    ALA  26           HN       ALA  26   3.692   6.136   1.343
  178    HA   ALA  26           HA       ALA  26   0.907   6.009   1.838
  179    HB1  ALA  26           HB1      ALA  26   2.846   8.272   2.339
  180    HB2  ALA  26           HB2      ALA  26   2.636   6.878   3.396
  181    HB3  ALA  26           HB3      ALA  26   1.300   8.013   3.154
  182    H    THR  27           HN       THR  27   2.287   6.714  -0.900
  183    HA   THR  27           HA       THR  27   0.233   8.630  -1.722
  184    HB   THR  27           HB       THR  27   3.118   8.346  -2.528
  185    HG1  THR  27           HG1      THR  27   2.621   9.907  -0.973
  186   HG21  THR  27          HG21      THR  27   2.747   9.757  -4.472
  187   HG22  THR  27          HG22      THR  27   1.007   9.723  -4.180
  188   HG23  THR  27          HG23      THR  27   1.861   8.235  -4.608
  189    H    LEU  28           HN       LEU  28   2.346   5.999  -2.654
  190    HA   LEU  28           HA       LEU  28   1.041   5.255  -5.005
  191    HB2  LEU  28           HB2      LEU  28   3.221   4.560  -4.929
  192    HB3  LEU  28           HB1      LEU  28   3.110   4.118  -3.243
  193    HG   LEU  28           HG       LEU  28   1.406   2.347  -4.243
  194   HD11  LEU  28          HD11      LEU  28   1.695   3.022  -6.533
  195   HD12  LEU  28          HD12      LEU  28   2.314   1.385  -6.297
  196   HD13  LEU  28          HD13      LEU  28   3.433   2.746  -6.417
  197   HD21  LEU  28          HD21      LEU  28   3.063   1.673  -2.778
  198   HD22  LEU  28          HD22      LEU  28   4.362   2.160  -3.878
  199   HD23  LEU  28          HD23      LEU  28   3.368   0.749  -4.259
  200    H    VAL  29           HN       VAL  29   0.962   4.065  -1.735
  201    HA   VAL  29           HA       VAL  29  -0.687   1.840  -2.235
  202    HB   VAL  29           HB       VAL  29  -0.091   3.383   0.280
  203   HG11  VAL  29          HG11      VAL  29  -2.312   2.395   0.507
  204   HG12  VAL  29          HG12      VAL  29  -1.148   1.552   1.531
  205   HG13  VAL  29          HG13      VAL  29  -1.679   0.828   0.014
  206   HG21  VAL  29          HG21      VAL  29   0.737   0.617  -0.580
  207   HG22  VAL  29          HG22      VAL  29   1.317   1.520   0.819
  208   HG23  VAL  29          HG23      VAL  29   1.711   2.067  -0.812
  209    H    ALA  30           HN       ALA  30  -1.264   5.153  -1.443
  210    HA   ALA  30           HA       ALA  30  -4.094   4.864  -1.183
  211    HB1  ALA  30           HB1      ALA  30  -2.323   7.256  -1.505
  212    HB2  ALA  30           HB2      ALA  30  -2.971   6.611   0.004
  213    HB3  ALA  30           HB3      ALA  30  -4.053   7.324  -1.192
  214    H    ALA  31           HN       ALA  31  -1.799   5.694  -3.639
  215    HA   ALA  31           HA       ALA  31  -3.572   6.483  -5.673
  216    HB1  ALA  31           HB1      ALA  31  -1.691   5.849  -7.190
  217    HB2  ALA  31           HB2      ALA  31  -0.855   5.160  -5.787
  218    HB3  ALA  31           HB3      ALA  31  -1.195   6.885  -5.847
  219    H    ALA  32           HN       ALA  32  -2.231   3.422  -4.672
  220    HA   ALA  32           HA       ALA  32  -3.511   1.662  -6.376
  221    HB1  ALA  32           HB1      ALA  32  -3.304   0.105  -4.366
  222    HB2  ALA  32           HB2      ALA  32  -2.607   1.498  -3.523
  223    HB3  ALA  32           HB3      ALA  32  -1.824   0.854  -4.966
  224    H    THR  33           HN       THR  33  -4.646   2.926  -3.204
  225    HA   THR  33           HA       THR  33  -7.159   1.541  -3.482
  226    HB   THR  33           HB       THR  33  -6.616   3.832  -1.591
  227    HG1  THR  33           HG1      THR  33  -4.947   2.161  -1.481
  228   HG21  THR  33          HG21      THR  33  -8.162   2.453  -0.151
  229   HG22  THR  33          HG22      THR  33  -8.462   1.445  -1.573
  230   HG23  THR  33          HG23      THR  33  -8.900   3.154  -1.591
  231    H    ALA  34           HN       ALA  34  -5.878   4.581  -4.475
  232    HA   ALA  34           HA       ALA  34  -8.328   5.893  -4.989
  233    HB1  ALA  34           HB1      ALA  34  -6.995   7.336  -6.471
  234    HB2  ALA  34           HB2      ALA  34  -5.629   6.232  -6.297
  235    HB3  ALA  34           HB3      ALA  34  -6.235   7.116  -4.894
  236    H    THR  35           HN       THR  35  -6.428   3.507  -6.632
  237    HA   THR  35           HA       THR  35  -7.847   3.560  -9.089
  238    HB   THR  35           HB       THR  35  -5.780   1.898  -7.785
  239    HG1  THR  35           HG1      THR  35  -5.988   3.563  -9.840
  240   HG21  THR  35          HG21      THR  35  -6.015   0.026  -9.252
  241   HG22  THR  35          HG22      THR  35  -7.391   0.776 -10.062
  242   HG23  THR  35          HG23      THR  35  -7.533   0.263  -8.375
  243    H    VAL  36           HN       VAL  36  -7.940   1.476  -6.192
  244    HA   VAL  36           HA       VAL  36  -9.755  -0.392  -7.159
  245    HB   VAL  36           HB       VAL  36 -10.229  -0.944  -4.794
  246   HG11  VAL  36          HG11      VAL  36  -7.845  -1.457  -4.155
  247   HG12  VAL  36          HG12      VAL  36  -7.402  -0.686  -5.683
  248   HG13  VAL  36          HG13      VAL  36  -8.444  -2.112  -5.674
  249   HG21  VAL  36          HG21      VAL  36  -8.590   0.262  -3.186
  250   HG22  VAL  36          HG22      VAL  36 -10.213   0.869  -3.496
  251   HG23  VAL  36          HG23      VAL  36  -8.833   1.587  -4.327
  252    H    LEU  37           HN       LEU  37 -10.361   2.766  -5.760
  253    HA   LEU  37           HA       LEU  37 -13.242   2.194  -5.702
  254    HB2  LEU  37           HB2      LEU  37 -11.939   4.662  -4.630
  255    HB3  LEU  37           HB1      LEU  37 -13.461   3.933  -4.159
  256    HG   LEU  37           HG       LEU  37 -10.805   2.629  -3.658
  257   HD11  LEU  37          HD11      LEU  37 -10.916   3.484  -1.409
  258   HD12  LEU  37          HD12      LEU  37 -12.394   4.367  -1.792
  259   HD13  LEU  37          HD13      LEU  37 -10.874   4.803  -2.574
  260   HD21  LEU  37          HD21      LEU  37 -12.712   1.138  -3.630
  261   HD22  LEU  37          HD22      LEU  37 -13.555   2.205  -2.509
  262   HD23  LEU  37          HD23      LEU  37 -12.094   1.362  -1.993
  263    H    GLY  38           HN       GLY  38 -11.157   3.281  -7.903
  264    HA2  GLY  38           HA2      GLY  38 -11.354   4.551  -9.798
  265    HA3  GLY  38           HA1      GLY  38 -13.078   4.585  -9.484
  266    H    HIS  39           HN       HIS  39 -10.661   5.891  -7.294
  267    HA   HIS  39           HA       HIS  39 -11.892   8.525  -7.610
  268    HB2  HIS  39           HB2      HIS  39 -10.242   7.244  -5.482
  269    HB3  HIS  39           HB1      HIS  39 -10.253   8.999  -5.602
  270    HD1  HIS  39           HD1      HIS  39 -11.789   9.871  -3.866
  271    HD2  HIS  39           HD2      HIS  39 -13.280   6.430  -5.679
  272    HE1  HIS  39           HE1      HIS  39 -14.054   9.478  -2.837
  273    HE2  HIS  39           HE2      HIS  39 -14.866   7.317  -3.842
  274    H    HIS  40           HN       HIS  40  -8.941   6.816  -8.163
  275    HA   HIS  40           HA       HIS  40  -7.102   7.263  -9.392
  276    HB2  HIS  40           HB2      HIS  40  -8.679   8.385 -10.966
  277    HB3  HIS  40           HB1      HIS  40  -8.377   9.901 -10.129
  278    HD1  HIS  40           HD1      HIS  40  -7.414  10.913 -12.325
  279    HD2  HIS  40           HD2      HIS  40  -5.290   7.652 -10.859
  280    HE1  HIS  40           HE1      HIS  40  -5.258  10.878 -13.614
  281    HE2  HIS  40           HE2      HIS  40  -4.060   8.808 -12.819
  282    H    THR  41           HN       THR  41  -8.190  10.106  -7.543
  283    HA   THR  41           HA       THR  41  -5.516  11.032  -7.112
  284    HB   THR  41           HB       THR  41  -6.982  12.215  -5.163
  285    HG1  THR  41           HG1      THR  41  -8.786  12.476  -7.227
  286   HG21  THR  41          HG21      THR  41  -5.559  13.421  -6.650
  287   HG22  THR  41          HG22      THR  41  -7.176  14.123  -6.738
  288   HG23  THR  41          HG23      THR  41  -6.606  13.058  -8.023
  289    HA   PRO  42           HA       PRO  42  -4.719   8.417  -3.544
  290    HB2  PRO  42           HB2      PRO  42  -2.207   9.878  -3.380
  291    HB3  PRO  42           HB1      PRO  42  -2.476   8.178  -3.767
  292    HG2  PRO  42           HG2      PRO  42  -1.605   9.985  -5.599
  293    HG3  PRO  42           HG1      PRO  42  -2.584   8.568  -6.020
  294    HD2  PRO  42           HD2      PRO  42  -3.436  11.421  -5.689
  295    HD3  PRO  42           HD1      PRO  42  -3.937  10.225  -6.901
  296    H    GLU  43           HN       GLU  43  -4.692  11.848  -3.845
  297    HA   GLU  43           HA       GLU  43  -4.343  12.421  -1.067
  298    HB2  GLU  43           HB2      GLU  43  -5.336  14.115  -3.346
  299    HB3  GLU  43           HB1      GLU  43  -5.044  14.718  -1.716
  300    HG2  GLU  43           HG2      GLU  43  -2.704  14.025  -1.915
  301    HG3  GLU  43           HG1      GLU  43  -3.041  13.465  -3.548
  302    H    SER  44           HN       SER  44  -6.986  11.906  -3.260
  303    HA   SER  44           HA       SER  44  -9.112  12.634  -1.572
  304    HB2  SER  44           HB2      SER  44  -9.356  12.313  -4.007
  305    HB3  SER  44           HB1      SER  44  -9.013  10.602  -3.796
  306    HG   SER  44           HG       SER  44 -11.266  12.042  -2.852
  307    H    ILE  45           HN       ILE  45  -7.130   9.844  -1.906
  308    HA   ILE  45           HA       ILE  45  -8.669   8.105  -0.211
  309    HB   ILE  45           HB       ILE  45  -5.833   7.853  -1.199
  310   HG12  ILE  45          HG12      ILE  45  -7.333   8.063  -3.071
  311   HG13  ILE  45          HG11      ILE  45  -6.810   6.392  -2.938
  312   HG21  ILE  45          HG21      ILE  45  -5.913   5.559  -0.670
  313   HG22  ILE  45          HG22      ILE  45  -7.648   5.620  -0.350
  314   HG23  ILE  45          HG23      ILE  45  -6.519   6.405   0.758
  315   HD11  ILE  45          HD11      ILE  45  -9.453   7.459  -1.987
  316   HD12  ILE  45          HD12      ILE  45  -8.925   5.776  -1.949
  317   HD13  ILE  45          HD13      ILE  45  -9.171   6.591  -3.494
  318    H    SER  46           HN       SER  46  -8.824   9.280   1.765
  319    HA   SER  46           HA       SER  46  -6.590  10.268   3.174
  320    HB2  SER  46           HB2      SER  46  -9.091   9.292   4.502
  321    HB3  SER  46           HB1      SER  46  -8.063  10.642   4.960
  322    HG   SER  46           HG       SER  46  -9.149  11.890   3.675
  323    HA   PRO  47           HA       PRO  47  -4.843   6.524   4.508
  324    HB2  PRO  47           HB2      PRO  47  -3.027   7.445   6.186
  325    HB3  PRO  47           HB1      PRO  47  -3.055   8.038   4.527
  326    HG2  PRO  47           HG2      PRO  47  -3.975   9.360   7.026
  327    HG3  PRO  47           HG1      PRO  47  -3.232  10.073   5.593
  328    HD2  PRO  47           HD2      PRO  47  -6.001   9.923   6.208
  329    HD3  PRO  47           HD1      PRO  47  -5.275  10.484   4.680
  330    H    ALA  48           HN       ALA  48  -6.810   8.197   6.652
  331    HA   ALA  48           HA       ALA  48  -6.365   6.190   8.717
  332    HB1  ALA  48           HB1      ALA  48  -6.471   7.828  10.408
  333    HB2  ALA  48           HB2      ALA  48  -7.025   9.055   9.270
  334    HB3  ALA  48           HB3      ALA  48  -5.373   8.439   9.163
  335    H    THR  49           HN       THR  49  -8.458   7.276   6.521
  336    HA   THR  49           HA       THR  49 -10.943   7.295   7.865
  337    HB   THR  49           HB       THR  49 -10.079   6.905   5.021
  338    HG1  THR  49           HG1      THR  49 -11.433   8.926   6.490
  339   HG21  THR  49          HG21      THR  49 -12.923   6.821   6.000
  340   HG22  THR  49          HG22      THR  49 -11.999   5.460   5.359
  341   HG23  THR  49          HG23      THR  49 -12.398   6.829   4.314
  342    H    ALA  50           HN       ALA  50  -9.056   4.873   6.228
  343    HA   ALA  50           HA       ALA  50  -8.811   2.629   6.758
  344    HB1  ALA  50           HB1      ALA  50 -11.673   2.639   7.676
  345    HB2  ALA  50           HB2      ALA  50 -10.268   2.782   8.738
  346    HB3  ALA  50           HB3      ALA  50 -10.517   1.308   7.801
  347    H    PHE  51           HN       PHE  51  -8.917   1.088   5.365
  348    HA   PHE  51           HA       PHE  51  -9.927   1.384   2.813
  349    HB2  PHE  51           HB2      PHE  51  -9.288  -1.100   4.390
  350    HB3  PHE  51           HB1      PHE  51  -9.637  -1.119   2.662
  351    HD1  PHE  51           HD1      PHE  51  -8.303   1.130   1.601
  352    HD2  PHE  51           HD2      PHE  51  -7.086  -1.454   4.732
  353    HE1  PHE  51           HE1      PHE  51  -5.961   1.699   1.138
  354    HE2  PHE  51           HE2      PHE  51  -4.740  -0.901   4.288
  355    HZ   PHE  51           HZ       PHE  51  -4.169   0.679   2.481
  356    H    LYS  52           HN       LYS  52 -11.301  -0.343   5.546
  357    HA   LYS  52           HA       LYS  52 -13.586  -1.403   4.467
  358    HB2  LYS  52           HB2      LYS  52 -13.321   0.029   7.118
  359    HB3  LYS  52           HB1      LYS  52 -14.578  -1.114   6.709
  360    HG2  LYS  52           HG2      LYS  52 -12.828  -2.860   6.482
  361    HG3  LYS  52           HG1      LYS  52 -11.636  -1.674   7.003
  362    HD2  LYS  52           HD2      LYS  52 -14.022  -2.536   8.640
  363    HD3  LYS  52           HD1      LYS  52 -12.401  -3.189   8.803
  364    HE2  LYS  52           HE2      LYS  52 -12.588  -1.613  10.509
  365    HE3  LYS  52           HE1      LYS  52 -11.624  -0.856   9.256
  366    HZ1  LYS  52           HZ1      LYS  52 -14.541  -0.392   9.520
  367    HZ2  LYS  52           HZ2      LYS  52 -13.428   0.528   8.638
  368    HZ3  LYS  52           HZ3      LYS  52 -13.400   0.556  10.323
  369    H    ASP  53           HN       ASP  53 -12.911   1.822   5.588
  370    HA   ASP  53           HA       ASP  53 -15.613   2.726   5.228
  371    HB2  ASP  53           HB2      ASP  53 -13.094   4.071   6.227
  372    HB3  ASP  53           HB1      ASP  53 -14.665   4.876   6.130
  373    H    LEU  54           HN       LEU  54 -12.972   2.336   3.330
  374    HA   LEU  54           HA       LEU  54 -13.330   4.701   1.676
  375    HB2  LEU  54           HB2      LEU  54 -11.324   2.502   1.853
  376    HB3  LEU  54           HB1      LEU  54 -11.423   3.436   0.382
  377    HG   LEU  54           HG       LEU  54 -10.995   4.649   3.115
  378   HD11  LEU  54          HD11      LEU  54  -9.136   3.196   2.648
  379   HD12  LEU  54          HD12      LEU  54  -8.641   4.877   2.434
  380   HD13  LEU  54          HD13      LEU  54  -8.976   3.871   1.026
  381   HD21  LEU  54          HD21      LEU  54 -10.678   5.705   0.321
  382   HD22  LEU  54          HD22      LEU  54 -10.186   6.557   1.784
  383   HD23  LEU  54          HD23      LEU  54 -11.890   6.191   1.504
  384    H    GLY  55           HN       GLY  55 -14.114   1.330   1.754
  385    HA2  GLY  55           HA2      GLY  55 -16.036   0.808   0.238
  386    HA3  GLY  55           HA1      GLY  55 -15.054   1.513  -1.041
  387    H    ILE  56           HN       ILE  56 -12.945   0.047   0.963
  388    HA   ILE  56           HA       ILE  56 -12.415  -2.132  -0.758
  389    HB   ILE  56           HB       ILE  56 -11.480  -1.483   2.027
  390   HG12  ILE  56          HG12      ILE  56 -10.229  -0.090   0.762
  391   HG13  ILE  56          HG11      ILE  56  -9.245  -1.528   0.609
  392   HG21  ILE  56          HG21      ILE  56 -11.335  -3.729   2.153
  393   HG22  ILE  56          HG22      ILE  56  -9.755  -3.311   1.470
  394   HG23  ILE  56          HG23      ILE  56 -11.039  -3.917   0.425
  395   HD11  ILE  56          HD11      ILE  56 -10.385  -2.014  -1.541
  396   HD12  ILE  56          HD12      ILE  56  -9.431  -0.533  -1.527
  397   HD13  ILE  56          HD13      ILE  56 -11.188  -0.442  -1.398
  398    H    ASP  57           HN       ASP  57 -13.322  -4.079  -0.834
  399    HA   ASP  57           HA       ASP  57 -15.227  -4.776   1.307
  400    HB2  ASP  57           HB2      ASP  57 -16.547  -5.946  -0.379
  401    HB3  ASP  57           HB1      ASP  57 -16.289  -4.275  -0.867
  402    H    SER  58           HN       SER  58 -12.632  -5.902  -0.683
  403    HA   SER  58           HA       SER  58 -11.591  -8.062   0.316
  404    HB2  SER  58           HB2      SER  58 -14.316  -8.857  -0.535
  405    HB3  SER  58           HB1      SER  58 -13.003 -10.008  -0.707
  406    HG   SER  58           HG       SER  58 -13.847  -8.713   1.680
  407    H    LEU  59           HN       LEU  59 -13.649  -7.709  -2.561
  408    HA   LEU  59           HA       LEU  59 -11.826  -8.729  -4.456
  409    HB2  LEU  59           HB2      LEU  59 -14.088  -6.753  -4.616
  410    HB3  LEU  59           HB1      LEU  59 -13.150  -7.165  -6.035
  411    HG   LEU  59           HG       LEU  59 -14.693  -9.158  -4.378
  412   HD11  LEU  59          HD11      LEU  59 -15.384  -7.748  -6.943
  413   HD12  LEU  59          HD12      LEU  59 -16.189  -7.562  -5.386
  414   HD13  LEU  59          HD13      LEU  59 -16.291  -9.096  -6.255
  415   HD21  LEU  59          HD21      LEU  59 -14.366 -10.615  -6.321
  416   HD22  LEU  59          HD22      LEU  59 -12.823 -10.130  -5.618
  417   HD23  LEU  59          HD23      LEU  59 -13.399  -9.363  -7.099
  418    H    THR  60           HN       THR  60 -12.492  -5.448  -3.379
  419    HA   THR  60           HA       THR  60 -10.328  -4.376  -4.969
  420    HB   THR  60           HB       THR  60 -10.946  -2.255  -3.636
  421    HG1  THR  60           HG1      THR  60 -13.451  -3.475  -3.304
  422   HG21  THR  60          HG21      THR  60 -11.435  -2.612  -5.984
  423   HG22  THR  60          HG22      THR  60 -12.831  -1.868  -5.188
  424   HG23  THR  60          HG23      THR  60 -12.844  -3.597  -5.564
  425    H    ALA  61           HN       ALA  61 -10.728  -5.722  -1.894
  426    HA   ALA  61           HA       ALA  61  -8.413  -4.533  -0.704
  427    HB1  ALA  61           HB1      ALA  61  -8.625  -6.233   0.998
  428    HB2  ALA  61           HB2      ALA  61  -9.731  -7.163  -0.016
  429    HB3  ALA  61           HB3      ALA  61 -10.228  -5.595   0.621
  430    H    LEU  62           HN       LEU  62  -9.147  -7.413  -2.604
  431    HA   LEU  62           HA       LEU  62  -6.465  -8.379  -2.571
  432    HB2  LEU  62           HB2      LEU  62  -8.846  -9.504  -3.083
  433    HB3  LEU  62           HB1      LEU  62  -8.344  -9.139  -4.713
  434    HG   LEU  62           HG       LEU  62  -7.554 -11.277  -4.524
  435   HD11  LEU  62          HD11      LEU  62  -5.172 -11.291  -4.186
  436   HD12  LEU  62          HD12      LEU  62  -5.253  -9.787  -3.269
  437   HD13  LEU  62          HD13      LEU  62  -5.633  -9.790  -4.994
  438   HD21  LEU  62          HD21      LEU  62  -8.322 -11.627  -2.262
  439   HD22  LEU  62          HD22      LEU  62  -6.947 -10.719  -1.633
  440   HD23  LEU  62          HD23      LEU  62  -6.686 -12.258  -2.456
  441    H    GLU  63           HN       GLU  63  -8.476  -6.462  -4.854
  442    HA   GLU  63           HA       GLU  63  -6.511  -6.277  -6.833
  443    HB2  GLU  63           HB2      GLU  63  -8.646  -5.758  -7.532
  444    HB3  GLU  63           HB1      GLU  63  -9.029  -4.899  -6.055
  445    HG2  GLU  63           HG2      GLU  63  -8.966  -3.294  -7.736
  446    HG3  GLU  63           HG1      GLU  63  -7.484  -3.138  -6.794
  447    H    LEU  64           HN       LEU  64  -7.231  -4.428  -3.903
  448    HA   LEU  64           HA       LEU  64  -5.285  -2.436  -4.101
  449    HB2  LEU  64           HB2      LEU  64  -6.978  -3.477  -2.082
  450    HB3  LEU  64           HB1      LEU  64  -5.334  -3.606  -1.469
  451    HG   LEU  64           HG       LEU  64  -6.649  -1.075  -2.428
  452   HD11  LEU  64          HD11      LEU  64  -5.978  -2.119   0.319
  453   HD12  LEU  64          HD12      LEU  64  -7.588  -1.787  -0.330
  454   HD13  LEU  64          HD13      LEU  64  -6.464  -0.457  -0.026
  455   HD21  LEU  64          HD21      LEU  64  -4.214  -1.217  -2.865
  456   HD22  LEU  64          HD22      LEU  64  -3.960  -1.514  -1.144
  457   HD23  LEU  64          HD23      LEU  64  -4.634   0.026  -1.682
  458    H    ARG  65           HN       ARG  65  -5.214  -5.695  -3.055
  459    HA   ARG  65           HA       ARG  65  -2.555  -5.841  -2.128
  460    HB2  ARG  65           HB2      ARG  65  -4.379  -7.432  -1.532
  461    HB3  ARG  65           HB1      ARG  65  -4.314  -8.086  -3.162
  462    HG2  ARG  65           HG2      ARG  65  -1.872  -8.075  -1.426
  463    HG3  ARG  65           HG1      ARG  65  -3.110  -9.311  -1.220
  464    HD2  ARG  65           HD2      ARG  65  -2.835  -9.997  -3.540
  465    HD3  ARG  65           HD1      ARG  65  -1.650  -8.714  -3.794
  466    HE   ARG  65           HE       ARG  65  -0.875 -10.396  -1.640
  467   HH11  ARG  65          HH11      ARG  65  -1.072 -10.371  -5.139
  468   HH12  ARG  65          HH12      ARG  65   0.299 -11.410  -5.341
  469   HH21  ARG  65          HH21      ARG  65   0.907 -11.766  -1.909
  470   HH22  ARG  65          HH22      ARG  65   1.423 -12.216  -3.502
  471    H    ASN  66           HN       ASN  66  -4.089  -6.812  -5.124
  472    HA   ASN  66           HA       ASN  66  -1.946  -7.761  -6.566
  473    HB2  ASN  66           HB2      ASN  66  -4.576  -6.591  -7.196
  474    HB3  ASN  66           HB1      ASN  66  -3.410  -6.554  -8.505
  475   HD21  ASN  66          HD21      ASN  66  -5.403  -8.509  -6.507
  476   HD22  ASN  66          HD22      ASN  66  -5.163  -9.982  -7.373
  477    H    THR  67           HN       THR  67  -3.010  -4.374  -6.188
  478    HA   THR  67           HA       THR  67  -1.037  -3.406  -8.024
  479    HB   THR  67           HB       THR  67  -2.582  -1.903  -5.923
  480    HG1  THR  67           HG1      THR  67  -4.062  -2.650  -7.377
  481   HG21  THR  67          HG21      THR  67  -2.037   0.095  -7.262
  482   HG22  THR  67          HG22      THR  67  -1.025  -0.903  -8.308
  483   HG23  THR  67          HG23      THR  67  -0.591  -0.682  -6.611
  484    H    LEU  68           HN       LEU  68  -1.355  -3.352  -4.497
  485    HA   LEU  68           HA       LEU  68   1.015  -2.019  -3.940
  486    HB2  LEU  68           HB2      LEU  68  -0.495  -4.067  -2.340
  487    HB3  LEU  68           HB1      LEU  68   0.886  -3.198  -1.712
  488    HG   LEU  68           HG       LEU  68  -1.874  -2.253  -2.227
  489   HD11  LEU  68          HD11      LEU  68   0.210  -1.645  -0.148
  490   HD12  LEU  68          HD12      LEU  68  -1.108  -2.805   0.010
  491   HD13  LEU  68          HD13      LEU  68  -1.457  -1.085  -0.137
  492   HD21  LEU  68          HD21      LEU  68  -1.147   0.070  -2.277
  493   HD22  LEU  68          HD22      LEU  68  -0.565  -0.808  -3.690
  494   HD23  LEU  68          HD23      LEU  68   0.536  -0.446  -2.359
  495    H    THR  69           HN       THR  69   0.462  -5.552  -3.871
  496    HA   THR  69           HA       THR  69   3.070  -6.251  -3.267
  497    HB   THR  69           HB       THR  69   0.889  -7.685  -3.390
  498    HG1  THR  69           HG1      THR  69   3.441  -8.716  -4.145
  499   HG21  THR  69          HG21      THR  69   2.030  -8.192  -6.137
  500   HG22  THR  69          HG22      THR  69   0.485  -7.421  -5.784
  501   HG23  THR  69          HG23      THR  69   0.739  -9.116  -5.369
  502    H    HIS  70           HN       HIS  70   1.670  -5.229  -6.274
  503    HA   HIS  70           HA       HIS  70   3.795  -6.196  -7.920
  504    HB2  HIS  70           HB2      HIS  70   1.487  -5.832  -8.786
  505    HB3  HIS  70           HB1      HIS  70   1.683  -4.110  -8.512
  506    HD1  HIS  70           HD1      HIS  70   2.584  -6.828 -10.890
  507    HD2  HIS  70           HD2      HIS  70   3.378  -2.787 -10.333
  508    HE1  HIS  70           HE1      HIS  70   3.564  -6.028 -13.063
  509    HE2  HIS  70           HE2      HIS  70   4.206  -3.629 -12.633
  510    H    ASN  71           HN       ASN  71   2.978  -3.159  -6.366
  511    HA   ASN  71           HA       ASN  71   5.170  -1.772  -7.626
  512    HB2  ASN  71           HB2      ASN  71   3.076  -0.954  -5.657
  513    HB3  ASN  71           HB1      ASN  71   4.419   0.105  -6.088
  514   HD21  ASN  71          HD21      ASN  71   1.548  -1.473  -7.206
  515   HD22  ASN  71          HD22      ASN  71   1.356  -0.536  -8.643
  516    H    THR  72           HN       THR  72   4.783  -3.623  -4.788
  517    HA   THR  72           HA       THR  72   7.186  -2.391  -3.635
  518    HB   THR  72           HB       THR  72   6.422  -3.249  -1.466
  519    HG1  THR  72           HG1      THR  72   3.966  -3.905  -2.745
  520   HG21  THR  72          HG21      THR  72   5.621  -1.014  -2.638
  521   HG22  THR  72          HG22      THR  72   4.926  -1.527  -1.100
  522   HG23  THR  72          HG23      THR  72   4.053  -1.828  -2.605
  523    H    GLY  73           HN       GLY  73   5.903  -5.218  -5.053
  524    HA2  GLY  73           HA2      GLY  73   7.281  -6.881  -5.934
  525    HA3  GLY  73           HA1      GLY  73   8.597  -6.225  -4.986
  526    H    LEU  74           HN       LEU  74   5.998  -6.606  -3.041
  527    HA   LEU  74           HA       LEU  74   7.374  -8.691  -1.629
  528    HB2  LEU  74           HB2      LEU  74   5.983  -6.456  -0.920
  529    HB3  LEU  74           HB1      LEU  74   4.815  -7.718  -0.588
  530    HG   LEU  74           HG       LEU  74   6.580  -8.870   0.776
  531   HD11  LEU  74          HD11      LEU  74   8.009  -6.231   0.626
  532   HD12  LEU  74          HD12      LEU  74   8.421  -7.587  -0.422
  533   HD13  LEU  74          HD13      LEU  74   8.576  -7.746   1.335
  534   HD21  LEU  74          HD21      LEU  74   6.236  -7.497   2.692
  535   HD22  LEU  74          HD22      LEU  74   4.776  -7.408   1.705
  536   HD23  LEU  74          HD23      LEU  74   5.935  -6.080   1.692
  537    H    ASP  75           HN       ASP  75   5.535  -9.967  -0.274
  538    HA   ASP  75           HA       ASP  75   3.725 -11.310  -2.129
  539    HB2  ASP  75           HB2      ASP  75   5.856 -12.525  -2.231
  540    HB3  ASP  75           HB1      ASP  75   5.841 -12.672  -0.484
  541    H    LEU  76           HN       LEU  76   2.545  -9.811  -0.617
  542    HA   LEU  76           HA       LEU  76   2.181 -10.829   2.084
  543    HB2  LEU  76           HB2      LEU  76   1.090  -8.783   2.601
  544    HB3  LEU  76           HB1      LEU  76   2.526  -8.394   1.683
  545    HG   LEU  76           HG       LEU  76  -0.270  -8.427   0.532
  546   HD11  LEU  76          HD11      LEU  76  -0.072  -5.978   0.591
  547   HD12  LEU  76          HD12      LEU  76   1.444  -6.134   1.477
  548   HD13  LEU  76          HD13      LEU  76  -0.065  -6.689   2.203
  549   HD21  LEU  76          HD21      LEU  76   0.803  -7.109  -1.283
  550   HD22  LEU  76          HD22      LEU  76   1.360  -8.778  -1.193
  551   HD23  LEU  76          HD23      LEU  76   2.373  -7.476  -0.567
  552    HA   PRO  77           HA       PRO  77  -1.501 -12.972   1.133
  553    HB2  PRO  77           HB2      PRO  77  -2.644 -13.140   3.555
  554    HB3  PRO  77           HB1      PRO  77  -1.114 -13.950   3.193
  555    HG2  PRO  77           HG2      PRO  77  -1.592 -11.356   4.612
  556    HG3  PRO  77           HG1      PRO  77  -0.494 -12.680   5.048
  557    HD2  PRO  77           HD2      PRO  77   0.322 -10.419   3.765
  558    HD3  PRO  77           HD1      PRO  77   1.120 -11.991   3.572
  559    HA   PRO  78           HA       PRO  78  -5.096 -10.476   0.293
  560    HB2  PRO  78           HB2      PRO  78  -6.579 -12.801   1.411
  561    HB3  PRO  78           HB1      PRO  78  -6.790 -11.984  -0.141
  562    HG2  PRO  78           HG2      PRO  78  -5.602 -14.333  -0.069
  563    HG3  PRO  78           HG1      PRO  78  -4.925 -13.043  -1.084
  564    HD2  PRO  78           HD2      PRO  78  -4.010 -14.019   1.595
  565    HD3  PRO  78           HD1      PRO  78  -3.051 -13.567   0.171
  566    H    THR  79           HN       THR  79  -4.377 -11.501   3.447
  567    HA   THR  79           HA       THR  79  -6.724 -10.142   4.529
  568    HB   THR  79           HB       THR  79  -5.872 -11.068   6.727
  569    HG1  THR  79           HG1      THR  79  -4.132 -12.327   6.720
  570   HG21  THR  79          HG21      THR  79  -6.614 -12.958   4.494
  571   HG22  THR  79          HG22      THR  79  -7.720 -12.108   5.576
  572   HG23  THR  79          HG23      THR  79  -6.663 -13.370   6.210
  573    H    LEU  80           HN       LEU  80  -4.431  -8.917   3.184
  574    HA   LEU  80           HA       LEU  80  -2.780  -7.600   5.071
  575    HB2  LEU  80           HB2      LEU  80  -2.034  -6.233   3.264
  576    HB3  LEU  80           HB1      LEU  80  -2.251  -7.852   2.633
  577    HG   LEU  80           HG       LEU  80  -4.316  -5.680   2.280
  578   HD11  LEU  80          HD11      LEU  80  -3.425  -5.339   0.044
  579   HD12  LEU  80          HD12      LEU  80  -2.115  -6.471   0.383
  580   HD13  LEU  80          HD13      LEU  80  -2.220  -4.949   1.270
  581   HD21  LEU  80          HD21      LEU  80  -3.841  -8.282   0.834
  582   HD22  LEU  80          HD22      LEU  80  -5.071  -7.087   0.424
  583   HD23  LEU  80          HD23      LEU  80  -5.151  -7.939   1.964
  584    H    ILE  81           HN       ILE  81  -5.798  -6.768   3.444
  585    HA   ILE  81           HA       ILE  81  -5.966  -4.131   4.564
  586    HB   ILE  81           HB       ILE  81  -8.215  -5.834   3.461
  587   HG12  ILE  81          HG12      ILE  81  -6.587  -5.674   1.740
  588   HG13  ILE  81          HG11      ILE  81  -7.799  -4.455   1.398
  589   HG21  ILE  81          HG21      ILE  81  -8.028  -2.854   3.388
  590   HG22  ILE  81          HG22      ILE  81  -8.756  -3.700   4.763
  591   HG23  ILE  81          HG23      ILE  81  -9.444  -3.883   3.142
  592   HD11  ILE  81          HD11      ILE  81  -5.240  -3.888   2.840
  593   HD12  ILE  81          HD12      ILE  81  -6.404  -2.733   2.184
  594   HD13  ILE  81          HD13      ILE  81  -5.447  -3.741   1.096
  595    H    PHE  82           HN       PHE  82  -7.184  -7.272   5.412
  596    HA   PHE  82           HA       PHE  82  -8.794  -6.510   7.570
  597    HB2  PHE  82           HB2      PHE  82  -7.426  -9.126   6.922
  598    HB3  PHE  82           HB1      PHE  82  -8.668  -8.925   8.149
  599    HD1  PHE  82           HD1      PHE  82 -10.877  -9.225   7.599
  600    HD2  PHE  82           HD2      PHE  82  -8.084  -8.368   4.494
  601    HE1  PHE  82           HE1      PHE  82 -12.634  -9.571   5.919
  602    HE2  PHE  82           HE2      PHE  82  -9.840  -8.723   2.816
  603    HZ   PHE  82           HZ       PHE  82 -12.120  -9.319   3.524
  604    H    ASP  83           HN       ASP  83  -5.358  -7.196   7.322
  605    HA   ASP  83           HA       ASP  83  -5.029  -7.086  10.219
  606    HB2  ASP  83           HB2      ASP  83  -3.738  -8.722   8.835
  607    HB3  ASP  83           HB1      ASP  83  -2.912  -7.368   8.083
  608    H    HIS  84           HN       HIS  84  -4.610  -5.129   7.403
  609    HA   HIS  84           HA       HIS  84  -3.712  -2.894   9.092
  610    HB2  HIS  84           HB2      HIS  84  -2.648  -3.728   6.399
  611    HB3  HIS  84           HB1      HIS  84  -2.416  -2.109   7.030
  612    HD1  HIS  84           HD1      HIS  84  -0.661  -1.827   8.911
  613    HD2  HIS  84           HD2      HIS  84  -1.220  -5.764   7.707
  614    HE1  HIS  84           HE1      HIS  84   1.209  -3.124   9.967
  615    HE2  HIS  84           HE2      HIS  84   0.737  -5.527   9.375
  616    HA   PRO  85           HA       PRO  85  -7.574  -2.147   6.919
  617    HB2  PRO  85           HB2      PRO  85  -8.897  -0.895   8.865
  618    HB3  PRO  85           HB1      PRO  85  -8.533  -2.622   8.968
  619    HG2  PRO  85           HG2      PRO  85  -7.146  -0.312  10.273
  620    HG3  PRO  85           HG1      PRO  85  -7.571  -1.892  10.957
  621    HD2  PRO  85           HD2      PRO  85  -5.075  -1.218   9.987
  622    HD3  PRO  85           HD1      PRO  85  -5.684  -2.878  10.135
  623    H    THR  86           HN       THR  86  -5.190   0.152   7.435
  624    HA   THR  86           HA       THR  86  -6.923   2.147   6.169
  625    HB   THR  86           HB       THR  86  -5.782   3.960   7.330
  626    HG1  THR  86           HG1      THR  86  -4.622   2.782   9.367
  627   HG21  THR  86          HG21      THR  86  -6.935   1.895   9.201
  628   HG22  THR  86          HG22      THR  86  -7.817   3.165   8.355
  629   HG23  THR  86          HG23      THR  86  -6.660   3.586   9.615
  630    HA   PRO  87           HA       PRO  87  -3.783   2.524   3.020
  631    HB2  PRO  87           HB2      PRO  87  -3.904   5.455   3.407
  632    HB3  PRO  87           HB1      PRO  87  -4.067   4.508   1.930
  633    HG2  PRO  87           HG2      PRO  87  -6.209   5.590   3.098
  634    HG3  PRO  87           HG1      PRO  87  -6.283   3.996   2.327
  635    HD2  PRO  87           HD2      PRO  87  -6.193   4.698   5.227
  636    HD3  PRO  87           HD1      PRO  87  -7.041   3.371   4.408
  637    H    HIS  88           HN       HIS  88  -3.506   4.529   5.885
  638    HA   HIS  88           HA       HIS  88  -0.703   4.861   5.886
  639    HB2  HIS  88           HB2      HIS  88  -2.330   6.122   7.313
  640    HB3  HIS  88           HB1      HIS  88  -2.574   4.664   8.259
  641    HD1  HIS  88           HD1      HIS  88   0.274   7.009   7.328
  642    HD2  HIS  88           HD2      HIS  88  -0.940   4.475  10.388
  643    HE1  HIS  88           HE1      HIS  88   1.970   7.302   9.158
  644    HE2  HIS  88           HE2      HIS  88   1.094   5.917  11.076
  645    H    ALA  89           HN       ALA  89  -2.808   2.488   7.470
  646    HA   ALA  89           HA       ALA  89  -0.880   0.903   8.673
  647    HB1  ALA  89           HB1      ALA  89  -3.260   0.721   9.139
  648    HB2  ALA  89           HB2      ALA  89  -2.568  -0.847   8.711
  649    HB3  ALA  89           HB3      ALA  89  -3.526   0.049   7.528
  650    H    LEU  90           HN       LEU  90  -2.487   0.201   5.523
  651    HA   LEU  90           HA       LEU  90  -0.966  -1.993   4.817
  652    HB2  LEU  90           HB2      LEU  90  -2.818  -0.307   3.561
  653    HB3  LEU  90           HB1      LEU  90  -1.417  -0.306   2.533
  654    HG   LEU  90           HG       LEU  90  -1.502  -2.703   2.277
  655   HD11  LEU  90          HD11      LEU  90  -2.358  -3.208   4.543
  656   HD12  LEU  90          HD12      LEU  90  -3.221  -4.055   3.265
  657   HD13  LEU  90          HD13      LEU  90  -3.948  -2.645   4.032
  658   HD21  LEU  90          HD21      LEU  90  -3.400  -2.840   0.914
  659   HD22  LEU  90          HD22      LEU  90  -2.982  -1.126   0.924
  660   HD23  LEU  90          HD23      LEU  90  -4.311  -1.716   1.921
  661    H    THR  91           HN       THR  91  -0.318   1.413   4.288
  662    HA   THR  91           HA       THR  91   2.023   1.140   2.836
  663    HB   THR  91           HB       THR  91   1.011   3.288   4.696
  664    HG1  THR  91           HG1      THR  91  -0.061   3.470   2.854
  665   HG21  THR  91          HG21      THR  91   3.631   3.219   3.243
  666   HG22  THR  91          HG22      THR  91   3.313   3.631   4.926
  667   HG23  THR  91          HG23      THR  91   2.834   4.738   3.640
  668    H    GLN  92           HN       GLN  92   1.495   1.441   6.320
  669    HA   GLN  92           HA       GLN  92   4.109   1.359   7.218
  670    HB2  GLN  92           HB2      GLN  92   1.580   0.277   8.452
  671    HB3  GLN  92           HB1      GLN  92   3.105   0.348   9.311
  672    HG2  GLN  92           HG2      GLN  92   3.010   2.877   8.603
  673    HG3  GLN  92           HG1      GLN  92   1.288   2.536   8.477
  674   HE21  GLN  92          HE21      GLN  92   0.130   1.980  10.325
  675   HE22  GLN  92          HE22      GLN  92   0.728   2.328  11.907
  676    H    HIS  93           HN       HIS  93   2.003  -1.258   6.238
  677    HA   HIS  93           HA       HIS  93   3.539  -3.428   7.105
  678    HB2  HIS  93           HB2      HIS  93   1.276  -3.761   6.362
  679    HB3  HIS  93           HB1      HIS  93   1.648  -3.131   4.764
  680    HD1  HIS  93           HD1      HIS  93   2.074  -6.193   6.903
  681    HD2  HIS  93           HD2      HIS  93   2.742  -4.957   2.980
  682    HE1  HIS  93           HE1      HIS  93   2.592  -8.282   5.615
  683    HE2  HIS  93           HE2      HIS  93   3.209  -7.491   3.314
  684    H    LEU  94           HN       LEU  94   3.553  -1.793   3.915
  685    HA   LEU  94           HA       LEU  94   5.697  -3.496   2.985
  686    HB2  LEU  94           HB2      LEU  94   4.434  -1.047   1.739
  687    HB3  LEU  94           HB1      LEU  94   5.492  -2.186   0.928
  688    HG   LEU  94           HG       LEU  94   2.899  -3.055   2.169
  689   HD11  LEU  94          HD11      LEU  94   3.237  -2.287  -0.711
  690   HD12  LEU  94          HD12      LEU  94   2.522  -1.235   0.522
  691   HD13  LEU  94          HD13      LEU  94   1.770  -2.784   0.136
  692   HD21  LEU  94          HD21      LEU  94   4.566  -4.206  -0.083
  693   HD22  LEU  94          HD22      LEU  94   3.095  -4.907   0.600
  694   HD23  LEU  94          HD23      LEU  94   4.551  -4.788   1.586
  695    H    HIS  95           HN       HIS  95   5.460  -0.493   4.606
  696    HA   HIS  95           HA       HIS  95   8.030   0.546   3.753
  697    HB2  HIS  95           HB2      HIS  95   6.168   2.046   4.448
  698    HB3  HIS  95           HB1      HIS  95   6.219   1.343   6.056
  699    HD1  HIS  95           HD1      HIS  95   8.002   2.167   7.654
  700    HD2  HIS  95           HD2      HIS  95   8.292   3.867   3.859
  701    HE1  HIS  95           HE1      HIS  95   9.573   4.101   7.897
  702    HE2  HIS  95           HE2      HIS  95   9.528   5.242   5.664
  703    H    THR  96           HN       THR  96   6.723  -1.562   6.083
  704    HA   THR  96           HA       THR  96   9.050  -1.566   7.800
  705    HB   THR  96           HB       THR  96   6.281  -2.612   7.854
  706    HG1  THR  96           HG1      THR  96   6.714  -0.827   9.079
  707   HG21  THR  96          HG21      THR  96   7.521  -4.669   8.085
  708   HG22  THR  96          HG22      THR  96   6.744  -4.231   9.608
  709   HG23  THR  96          HG23      THR  96   8.476  -3.971   9.394
  710    H    ARG  97           HN       ARG  97   7.301  -3.705   5.583
  711    HA   ARG  97           HA       ARG  97   8.955  -5.950   5.875
  712    HB2  ARG  97           HB2      ARG  97   6.966  -5.058   3.838
  713    HB3  ARG  97           HB1      ARG  97   7.938  -6.491   3.536
  714    HG2  ARG  97           HG2      ARG  97   6.321  -6.089   6.015
  715    HG3  ARG  97           HG1      ARG  97   5.697  -6.910   4.581
  716    HD2  ARG  97           HD2      ARG  97   7.612  -8.479   4.741
  717    HD3  ARG  97           HD1      ARG  97   8.080  -7.708   6.249
  718    HE   ARG  97           HE       ARG  97   5.378  -8.667   6.268
  719   HH11  ARG  97          HH11      ARG  97   8.732  -9.536   6.755
  720   HH12  ARG  97          HH12      ARG  97   8.365 -10.900   7.765
  721   HH21  ARG  97          HH21      ARG  97   4.888 -10.480   7.567
  722   HH22  ARG  97          HH22      ARG  97   6.176 -11.435   8.230
  723    H    LEU  98           HN       LEU  98   9.407  -3.054   4.198
  724    HA   LEU  98           HA       LEU  98  11.181  -3.585   2.191
  725    HB2  LEU  98           HB2      LEU  98  10.834  -1.409   4.123
  726    HB3  LEU  98           HB1      LEU  98  12.417  -1.486   3.392
  727    HG   LEU  98           HG       LEU  98  10.134  -0.266   2.340
  728   HD11  LEU  98          HD11      LEU  98  11.640   0.176   0.436
  729   HD12  LEU  98          HD12      LEU  98  12.778  -0.998   1.101
  730   HD13  LEU  98          HD13      LEU  98  12.396   0.468   2.002
  731   HD21  LEU  98          HD21      LEU  98  10.922  -2.583   0.582
  732   HD22  LEU  98          HD22      LEU  98   9.674  -1.375   0.290
  733   HD23  LEU  98          HD23      LEU  98   9.462  -2.564   1.573
  734    H    THR  99           HN       THR  99  11.865  -3.527   5.638
  735    HA   THR  99           HA       THR  99  14.520  -4.646   5.091
  736    HB   THR  99           HB       THR  99  14.722  -2.654   6.374
  737    HG1  THR  99           HG1      THR  99  15.949  -4.500   7.126
  738   HG21  THR  99          HG21      THR  99  12.661  -3.785   8.256
  739   HG22  THR  99          HG22      THR  99  12.423  -2.446   7.130
  740   HG23  THR  99          HG23      THR  99  13.543  -2.275   8.485
  741    H    GLN 100           HN       GLN 100  11.580  -5.066   6.964
  742    HA   GLN 100           HA       GLN 100  12.366  -7.517   8.185
  743    HB2  GLN 100           HB2      GLN 100   9.596  -6.427   7.756
  744    HB3  GLN 100           HB1      GLN 100  10.050  -7.683   8.893
  745    HG2  GLN 100           HG2      GLN 100  11.005  -4.833   8.981
  746    HG3  GLN 100           HG1      GLN 100   9.703  -5.508   9.958
  747   HE21  GLN 100          HE21      GLN 100  12.218  -4.288  10.780
  748   HE22  GLN 100          HE22      GLN 100  13.043  -5.474  11.728
  749    H    SER 101           HN       SER 101  13.144  -8.295   5.952
  750    HA   SER 101           HA       SER 101  11.288 -10.302   5.072
  751    HB2  SER 101           HB2      SER 101  11.481  -9.613   2.647
  752    HB3  SER 101           HB1      SER 101  10.492  -8.545   3.642
  753    HG   SER 101           HG       SER 101  11.824  -6.982   3.241
  754    H    HIS 102           HN       HIS 102  12.445 -11.348   2.963
  755    HA   HIS 102           HA       HIS 102  15.157 -11.944   3.846
  756    HB2  HIS 102           HB2      HIS 102  13.408 -13.265   1.785
  757    HB3  HIS 102           HB1      HIS 102  15.035 -13.774   2.152
  758    HD1  HIS 102           HD1      HIS 102  15.270 -15.484   3.946
  759    HD2  HIS 102           HD2      HIS 102  11.600 -13.545   4.092
  760    HE1  HIS 102           HE1      HIS 102  13.940 -16.687   5.707
  761    HE2  HIS 102           HE2      HIS 102  11.788 -15.393   5.887
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   5.995  -8.954 -16.572
    2    H2   GLY   1           HT2      GLY   1   5.317 -10.482 -16.323
    3    H3   GLY   1           HT3      GLY   1   6.857 -10.130 -15.716
    4    HA2  GLY   1           HA1      GLY   1   4.319  -8.874 -14.844
    5    HA3  GLY   1           HA2      GLY   1   5.213 -10.095 -13.952
    6    H    ALA   2           HN       ALA   2   5.227  -8.488 -12.228
    7    HA   ALA   2           HA       ALA   2   6.632  -6.037 -12.525
    8    HB1  ALA   2           HB1      ALA   2   6.556  -5.911 -10.092
    9    HB2  ALA   2           HB2      ALA   2   6.045  -7.598 -10.012
   10    HB3  ALA   2           HB3      ALA   2   4.991  -6.389 -10.747
   11    H    ALA   3           HN       ALA   3   7.544  -9.286 -11.686
   12    HA   ALA   3           HA       ALA   3   9.525 -10.362 -11.473
   13    HB1  ALA   3           HB1      ALA   3  10.874  -7.843 -12.412
   14    HB2  ALA   3           HB2      ALA   3  10.185  -9.059 -13.493
   15    HB3  ALA   3           HB3      ALA   3  11.527  -9.481 -12.426
   16    H    SER   4           HN       SER   4  10.358  -7.022 -10.659
   17    HA   SER   4           HA       SER   4  10.908  -7.691  -7.924
   18    HB2  SER   4           HB2      SER   4  13.362  -6.919  -8.285
   19    HB3  SER   4           HB1      SER   4  12.936  -8.578  -8.678
   20    HG   SER   4           HG       SER   4  13.280  -8.184 -10.724
   21    H    ALA   5           HN       ALA   5   9.224  -5.939  -8.038
   22    HA   ALA   5           HA       ALA   5  10.292  -3.298  -8.662
   23    HB1  ALA   5           HB1      ALA   5   8.045  -2.487  -8.238
   24    HB2  ALA   5           HB2      ALA   5   7.560  -4.078  -7.651
   25    HB3  ALA   5           HB3      ALA   5   8.004  -3.860  -9.344
   26    H    ALA   6           HN       ALA   6  10.666  -5.278  -6.129
   27    HA   ALA   6           HA       ALA   6  10.185  -3.400  -3.983
   28    HB1  ALA   6           HB1      ALA   6  11.666  -6.032  -4.046
   29    HB2  ALA   6           HB2      ALA   6  10.000  -5.764  -3.522
   30    HB3  ALA   6           HB3      ALA   6  11.337  -5.089  -2.591
   31    H    THR   7           HN       THR   7  12.545  -3.967  -6.300
   32    HA   THR   7           HA       THR   7  14.510  -2.395  -4.807
   33    HB   THR   7           HB       THR   7  15.493  -4.383  -5.718
   34    HG1  THR   7           HG1      THR   7  16.349  -1.955  -6.302
   35   HG21  THR   7          HG21      THR   7  14.473  -3.476  -8.407
   36   HG22  THR   7          HG22      THR   7  13.889  -4.861  -7.485
   37   HG23  THR   7          HG23      THR   7  15.532  -4.858  -8.125
   38    H    ASP   8           HN       ASP   8  11.910  -1.967  -6.784
   39    HA   ASP   8           HA       ASP   8  13.018   0.411  -8.051
   40    HB2  ASP   8           HB2      ASP   8  10.784  -1.377  -8.628
   41    HB3  ASP   8           HB1      ASP   8  10.328   0.324  -8.612
   42    H    LEU   9           HN       LEU   9  10.749  -0.835  -5.747
   43    HA   LEU   9           HA       LEU   9   9.453   1.594  -5.152
   44    HB2  LEU   9           HB2      LEU   9   8.424  -0.437  -4.447
   45    HB3  LEU   9           HB1      LEU   9   9.850  -0.932  -3.564
   46    HG   LEU   9           HG       LEU   9   9.536   1.071  -2.097
   47   HD11  LEU   9          HD11      LEU   9   6.838   1.166  -3.425
   48   HD12  LEU   9          HD12      LEU   9   8.146   2.352  -3.634
   49   HD13  LEU   9          HD13      LEU   9   7.372   2.144  -2.053
   50   HD21  LEU   9          HD21      LEU   9   7.319  -0.956  -2.078
   51   HD22  LEU   9          HD22      LEU   9   7.894  -0.006  -0.710
   52   HD23  LEU   9          HD23      LEU   9   8.946  -1.210  -1.454
   53    H    ALA  10           HN       ALA  10  11.806  -0.300  -3.391
   54    HA   ALA  10           HA       ALA  10  12.640   1.649  -1.550
   55    HB1  ALA  10           HB1      ALA  10  14.285  -0.591  -2.748
   56    HB2  ALA  10           HB2      ALA  10  13.223  -0.723  -1.346
   57    HB3  ALA  10           HB3      ALA  10  14.660   0.295  -1.270
   58    H    ALA  11           HN       ALA  11  12.958   1.749  -4.884
   59    HA   ALA  11           HA       ALA  11  15.492   3.117  -4.981
   60    HB1  ALA  11           HB1      ALA  11  14.899   3.497  -7.351
   61    HB2  ALA  11           HB2      ALA  11  13.345   2.708  -7.046
   62    HB3  ALA  11           HB3      ALA  11  14.848   1.796  -6.885
   63    H    ARG  12           HN       ARG  12  12.000   3.899  -5.085
   64    HA   ARG  12           HA       ARG  12  12.302   6.689  -5.308
   65    HB2  ARG  12           HB2      ARG  12  10.205   4.868  -4.191
   66    HB3  ARG  12           HB1      ARG  12  10.016   6.600  -4.089
   67    HG2  ARG  12           HG2      ARG  12   8.782   5.914  -5.943
   68    HG3  ARG  12           HG1      ARG  12  10.268   6.600  -6.594
   69    HD2  ARG  12           HD2      ARG  12  11.191   4.463  -6.988
   70    HD3  ARG  12           HD1      ARG  12   9.917   3.692  -6.041
   71    HE   ARG  12           HE       ARG  12   8.462   4.752  -7.964
   72   HH11  ARG  12          HH11      ARG  12  11.542   3.114  -8.246
   73   HH12  ARG  12          HH12      ARG  12  11.233   2.520  -9.849
   74   HH21  ARG  12          HH21      ARG  12   8.057   3.997 -10.079
   75   HH22  ARG  12          HH22      ARG  12   9.254   3.044 -10.895
   76    H    LEU  13           HN       LEU  13  12.581   4.428  -2.734
   77    HA   LEU  13           HA       LEU  13  12.138   6.347  -0.620
   78    HB2  LEU  13           HB2      LEU  13  12.628   3.416  -0.777
   79    HB3  LEU  13           HB1      LEU  13  12.816   4.234   0.756
   80    HG   LEU  13           HG       LEU  13  10.504   4.837   0.813
   81   HD11  LEU  13          HD11      LEU  13   8.981   4.019  -1.032
   82   HD12  LEU  13          HD12      LEU  13  10.450   3.971  -2.026
   83   HD13  LEU  13          HD13      LEU  13   9.916   5.491  -1.295
   84   HD21  LEU  13          HD21      LEU  13  10.753   2.004  -0.124
   85   HD22  LEU  13          HD22      LEU  13   9.410   2.679   0.797
   86   HD23  LEU  13          HD23      LEU  13  11.014   2.580   1.522
   87    H    ASN  14           HN       ASN  14  14.711   4.277  -1.736
   88    HA   ASN  14           HA       ASN  14  16.765   4.956  -0.069
   89    HB2  ASN  14           HB2      ASN  14  16.482   4.034  -2.848
   90    HB3  ASN  14           HB1      ASN  14  18.075   4.691  -2.419
   91   HD21  ASN  14          HD21      ASN  14  17.379   1.995  -3.126
   92   HD22  ASN  14          HD22      ASN  14  17.763   0.991  -1.772
   93    H    GLY  15           HN       GLY  15  17.889   6.709   0.372
   94    HA2  GLY  15           HA2      GLY  15  18.991   8.742  -0.177
   95    HA3  GLY  15           HA1      GLY  15  17.903   8.934  -1.545
   96    H    LEU  16           HN       LEU  16  15.743   8.036   0.469
   97    HA   LEU  16           HA       LEU  16  15.204  10.772   1.364
   98    HB2  LEU  16           HB2      LEU  16  13.492   8.509   0.475
   99    HB3  LEU  16           HB1      LEU  16  12.825   9.645   1.622
  100    HG   LEU  16           HG       LEU  16  12.146  10.297  -0.568
  101   HD11  LEU  16          HD11      LEU  16  14.391  12.104   0.246
  102   HD12  LEU  16          HD12      LEU  16  12.850  12.001   1.104
  103   HD13  LEU  16          HD13      LEU  16  12.892  12.543  -0.579
  104   HD21  LEU  16          HD21      LEU  16  15.073  10.301  -1.295
  105   HD22  LEU  16          HD22      LEU  16  13.759  10.873  -2.323
  106   HD23  LEU  16          HD23      LEU  16  13.854   9.169  -1.880
  107    H    SER  17           HN       SER  17  13.936  10.997   3.328
  108    HA   SER  17           HA       SER  17  15.021   9.406   5.480
  109    HB2  SER  17           HB2      SER  17  13.144  11.773   5.407
  110    HB3  SER  17           HB1      SER  17  13.742  11.032   6.883
  111    HG   SER  17           HG       SER  17  15.695  11.680   5.050
  112    HA   PRO  18           HA       PRO  18  12.040   6.360   6.190
  113    HB2  PRO  18           HB2      PRO  18  11.432   7.718   8.791
  114    HB3  PRO  18           HB1      PRO  18  11.735   6.006   8.463
  115    HG2  PRO  18           HG2      PRO  18  13.677   7.461   9.480
  116    HG3  PRO  18           HG1      PRO  18  14.036   6.351   8.143
  117    HD2  PRO  18           HD2      PRO  18  13.730   9.316   8.102
  118    HD3  PRO  18           HD1      PRO  18  14.867   8.281   7.212
  119    H    GLN  19           HN       GLN  19  10.763   9.468   7.366
  120    HA   GLN  19           HA       GLN  19   8.018   8.801   6.931
  121    HB2  GLN  19           HB2      GLN  19   8.876  10.604   8.463
  122    HB3  GLN  19           HB1      GLN  19   9.205  11.569   7.031
  123    HG2  GLN  19           HG2      GLN  19   7.113  12.286   7.812
  124    HG3  GLN  19           HG1      GLN  19   6.802  11.254   6.414
  125   HE21  GLN  19          HE21      GLN  19   4.720  10.764   7.050
  126   HE22  GLN  19          HE22      GLN  19   4.390   9.705   8.376
  127    H    GLN  20           HN       GLN  20  10.481  10.280   4.905
  128    HA   GLN  20           HA       GLN  20   8.683  11.147   2.845
  129    HB2  GLN  20           HB2      GLN  20  11.655  10.576   2.864
  130    HB3  GLN  20           HB1      GLN  20  10.802  11.184   1.450
  131    HG2  GLN  20           HG2      GLN  20  11.031  12.578   4.098
  132    HG3  GLN  20           HG1      GLN  20  11.970  12.944   2.664
  133   HE21  GLN  20          HE21      GLN  20   9.709  12.556   0.858
  134   HE22  GLN  20          HE22      GLN  20   8.699  13.943   1.064
  135    H    GLN  21           HN       GLN  21  10.808   8.395   3.372
  136    HA   GLN  21           HA       GLN  21  10.190   6.850   1.131
  137    HB2  GLN  21           HB2      GLN  21  10.942   6.061   3.955
  138    HB3  GLN  21           HB1      GLN  21  10.917   4.937   2.604
  139    HG2  GLN  21           HG2      GLN  21  12.610   6.226   1.471
  140    HG3  GLN  21           HG1      GLN  21  12.626   7.417   2.770
  141   HE21  GLN  21          HE21      GLN  21  12.331   5.246   4.791
  142   HE22  GLN  21          HE22      GLN  21  13.896   4.536   4.919
  143    H    GLN  22           HN       GLN  22   8.543   7.373   4.123
  144    HA   GLN  22           HA       GLN  22   6.594   5.345   3.941
  145    HB2  GLN  22           HB2      GLN  22   7.364   7.146   5.796
  146    HB3  GLN  22           HB1      GLN  22   5.945   7.908   5.170
  147    HG2  GLN  22           HG2      GLN  22   4.636   6.039   5.683
  148    HG3  GLN  22           HG1      GLN  22   6.019   5.155   6.299
  149   HE21  GLN  22          HE21      GLN  22   6.944   5.858   8.271
  150   HE22  GLN  22          HE22      GLN  22   6.056   6.843   9.378
  151    H    GLN  23           HN       GLN  23   6.565   8.781   3.300
  152    HA   GLN  23           HA       GLN  23   4.094   9.234   2.286
  153    HB2  GLN  23           HB2      GLN  23   6.690  10.346   1.387
  154    HB3  GLN  23           HB1      GLN  23   5.138  11.014   0.903
  155    HG2  GLN  23           HG2      GLN  23   4.582  11.454   3.215
  156    HG3  GLN  23           HG1      GLN  23   6.093  10.746   3.736
  157   HE21  GLN  23          HE21      GLN  23   5.727  12.776   0.915
  158   HE22  GLN  23          HE22      GLN  23   6.614  14.125   1.528
  159    H    THR  24           HN       THR  24   6.829   8.001   0.390
  160    HA   THR  24           HA       THR  24   5.601   8.032  -2.121
  161    HB   THR  24           HB       THR  24   7.735   6.352  -0.869
  162    HG1  THR  24           HG1      THR  24   7.756   8.694  -1.859
  163   HG21  THR  24          HG21      THR  24   6.883   6.154  -3.762
  164   HG22  THR  24          HG22      THR  24   6.489   4.952  -2.532
  165   HG23  THR  24          HG23      THR  24   8.177   5.251  -2.969
  166    H    LEU  25           HN       LEU  25   5.555   5.523   0.400
  167    HA   LEU  25           HA       LEU  25   3.772   3.794  -1.086
  168    HB2  LEU  25           HB2      LEU  25   4.345   3.952   1.858
  169    HB3  LEU  25           HB1      LEU  25   3.499   2.647   1.062
  170    HG   LEU  25           HG       LEU  25   6.302   3.296   0.261
  171   HD11  LEU  25          HD11      LEU  25   7.153   1.882   2.003
  172   HD12  LEU  25          HD12      LEU  25   5.523   1.539   2.583
  173   HD13  LEU  25          HD13      LEU  25   6.190   3.167   2.739
  174   HD21  LEU  25          HD21      LEU  25   4.648   0.775   0.374
  175   HD22  LEU  25          HD22      LEU  25   6.319   0.873  -0.173
  176   HD23  LEU  25          HD23      LEU  25   5.049   1.700  -1.073
  177    H    ALA  26           HN       ALA  26   3.583   6.178   1.457
  178    HA   ALA  26           HA       ALA  26   0.806   6.044   1.923
  179    HB1  ALA  26           HB1      ALA  26   2.470   8.502   2.376
  180    HB2  ALA  26           HB2      ALA  26   2.746   7.043   3.324
  181    HB3  ALA  26           HB3      ALA  26   1.167   7.846   3.373
  182    H    THR  27           HN       THR  27   2.192   6.765  -0.827
  183    HA   THR  27           HA       THR  27   0.103   8.634  -1.669
  184    HB   THR  27           HB       THR  27   3.003   8.431  -2.423
  185    HG1  THR  27           HG1      THR  27   2.567  10.021  -0.967
  186   HG21  THR  27          HG21      THR  27   1.795   8.247  -4.533
  187   HG22  THR  27          HG22      THR  27   2.633   9.796  -4.400
  188   HG23  THR  27          HG23      THR  27   0.888   9.714  -4.149
  189    H    LEU  28           HN       LEU  28   2.281   6.044  -2.586
  190    HA   LEU  28           HA       LEU  28   1.013   5.264  -4.945
  191    HB2  LEU  28           HB2      LEU  28   3.198   4.594  -4.833
  192    HB3  LEU  28           HB1      LEU  28   3.068   4.163  -3.145
  193    HG   LEU  28           HG       LEU  28   1.398   2.368  -4.139
  194   HD11  LEU  28          HD11      LEU  28   3.435   2.726  -6.311
  195   HD12  LEU  28          HD12      LEU  28   1.712   3.079  -6.435
  196   HD13  LEU  28          HD13      LEU  28   2.255   1.416  -6.192
  197   HD21  LEU  28          HD21      LEU  28   4.349   2.235  -3.744
  198   HD22  LEU  28          HD22      LEU  28   3.406   0.804  -4.169
  199   HD23  LEU  28          HD23      LEU  28   3.044   1.694  -2.677
  200    H    VAL  29           HN       VAL  29   0.913   4.090  -1.667
  201    HA   VAL  29           HA       VAL  29  -0.725   1.841  -2.158
  202    HB   VAL  29           HB       VAL  29  -0.139   3.427   0.336
  203   HG11  VAL  29          HG11      VAL  29  -1.223   1.678   1.631
  204   HG12  VAL  29          HG12      VAL  29  -1.691   0.843   0.151
  205   HG13  VAL  29          HG13      VAL  29  -2.378   2.424   0.524
  206   HG21  VAL  29          HG21      VAL  29   0.690   0.649  -0.490
  207   HG22  VAL  29          HG22      VAL  29   1.257   1.559   0.912
  208   HG23  VAL  29          HG23      VAL  29   1.668   2.099  -0.720
  209    H    ALA  30           HN       ALA  30  -1.301   5.165  -1.431
  210    HA   ALA  30           HA       ALA  30  -4.132   4.920  -1.160
  211    HB1  ALA  30           HB1      ALA  30  -2.997   6.694  -0.041
  212    HB2  ALA  30           HB2      ALA  30  -4.048   7.383  -1.280
  213    HB3  ALA  30           HB3      ALA  30  -2.313   7.262  -1.562
  214    H    ALA  31           HN       ALA  31  -1.847   5.683  -3.650
  215    HA   ALA  31           HA       ALA  31  -3.627   6.396  -5.705
  216    HB1  ALA  31           HB1      ALA  31  -0.862   5.190  -5.667
  217    HB2  ALA  31           HB2      ALA  31  -1.320   6.859  -6.002
  218    HB3  ALA  31           HB3      ALA  31  -1.696   5.593  -7.175
  219    H    ALA  32           HN       ALA  32  -2.253   3.380  -4.616
  220    HA   ALA  32           HA       ALA  32  -3.510   1.547  -6.249
  221    HB1  ALA  32           HB1      ALA  32  -1.813   0.851  -4.756
  222    HB2  ALA  32           HB2      ALA  32  -3.294   0.053  -4.215
  223    HB3  ALA  32           HB3      ALA  32  -2.689   1.481  -3.362
  224    H    THR  33           HN       THR  33  -4.684   2.939  -3.148
  225    HA   THR  33           HA       THR  33  -7.194   1.555  -3.368
  226    HB   THR  33           HB       THR  33  -6.601   3.947  -1.624
  227    HG1  THR  33           HG1      THR  33  -5.026   2.213  -1.384
  228   HG21  THR  33          HG21      THR  33  -8.903   3.447  -1.574
  229   HG22  THR  33          HG22      THR  33  -8.238   2.663  -0.139
  230   HG23  THR  33          HG23      THR  33  -8.609   1.708  -1.576
  231    H    ALA  34           HN       ALA  34  -5.981   4.679  -4.349
  232    HA   ALA  34           HA       ALA  34  -8.402   5.911  -4.986
  233    HB1  ALA  34           HB1      ALA  34  -5.727   6.143  -6.390
  234    HB2  ALA  34           HB2      ALA  34  -6.268   7.108  -5.016
  235    HB3  ALA  34           HB3      ALA  34  -7.079   7.262  -6.577
  236    H    THR  35           HN       THR  35  -6.473   3.491  -6.584
  237    HA   THR  35           HA       THR  35  -7.780   3.377  -9.063
  238    HB   THR  35           HB       THR  35  -6.039   1.567  -7.450
  239    HG1  THR  35           HG1      THR  35  -5.130   3.201  -8.799
  240   HG21  THR  35          HG21      THR  35  -6.174  -0.179  -9.121
  241   HG22  THR  35          HG22      THR  35  -7.422   0.724  -9.981
  242   HG23  THR  35          HG23      THR  35  -7.741   0.107  -8.356
  243    H    VAL  36           HN       VAL  36  -8.123   1.455  -6.105
  244    HA   VAL  36           HA       VAL  36  -9.894  -0.390  -7.216
  245    HB   VAL  36           HB       VAL  36 -10.397  -0.720  -4.606
  246   HG11  VAL  36          HG11      VAL  36  -7.905  -1.503  -6.079
  247   HG12  VAL  36          HG12      VAL  36  -9.450  -2.364  -6.119
  248   HG13  VAL  36          HG13      VAL  36  -8.521  -2.286  -4.619
  249   HG21  VAL  36          HG21      VAL  36  -7.697   0.540  -4.739
  250   HG22  VAL  36          HG22      VAL  36  -8.414  -0.249  -3.335
  251   HG23  VAL  36          HG23      VAL  36  -9.116   1.243  -3.965
  252    H    LEU  37           HN       LEU  37 -10.474   2.680  -5.792
  253    HA   LEU  37           HA       LEU  37 -13.329   2.087  -5.516
  254    HB2  LEU  37           HB2      LEU  37 -11.942   4.636  -4.772
  255    HB3  LEU  37           HB1      LEU  37 -13.463   4.011  -4.167
  256    HG   LEU  37           HG       LEU  37 -10.794   2.717  -3.656
  257   HD11  LEU  37          HD11      LEU  37 -10.913   4.963  -2.709
  258   HD12  LEU  37          HD12      LEU  37 -10.874   3.709  -1.472
  259   HD13  LEU  37          HD13      LEU  37 -12.393   4.516  -1.859
  260   HD21  LEU  37          HD21      LEU  37 -13.519   2.317  -2.442
  261   HD22  LEU  37          HD22      LEU  37 -12.035   1.538  -1.894
  262   HD23  LEU  37          HD23      LEU  37 -12.669   1.197  -3.503
  263    H    GLY  38           HN       GLY  38 -11.547   2.889  -8.040
  264    HA2  GLY  38           HA2      GLY  38 -12.165   3.756 -10.088
  265    HA3  GLY  38           HA1      GLY  38 -13.746   4.105  -9.410
  266    H    HIS  39           HN       HIS  39 -10.628   5.264  -8.271
  267    HA   HIS  39           HA       HIS  39 -11.311   7.979  -9.184
  268    HB2  HIS  39           HB2      HIS  39 -10.391   7.079  -6.456
  269    HB3  HIS  39           HB1      HIS  39 -10.076   8.715  -7.019
  270    HD1  HIS  39           HD1      HIS  39 -11.971  10.378  -6.877
  271    HD2  HIS  39           HD2      HIS  39 -13.169   6.478  -6.066
  272    HE1  HIS  39           HE1      HIS  39 -14.326  10.558  -6.018
  273    HE2  HIS  39           HE2      HIS  39 -15.071   8.182  -5.644
  274    H    HIS  40           HN       HIS  40  -9.116   9.350  -8.653
  275    HA   HIS  40           HA       HIS  40  -6.824   7.705  -9.462
  276    HB2  HIS  40           HB2      HIS  40  -7.648   8.796 -11.479
  277    HB3  HIS  40           HB1      HIS  40  -7.603  10.359 -10.678
  278    HD1  HIS  40           HD1      HIS  40  -5.693  11.688 -11.498
  279    HD2  HIS  40           HD2      HIS  40  -4.755   7.641 -11.246
  280    HE1  HIS  40           HE1      HIS  40  -3.305  11.494 -12.257
  281    HE2  HIS  40           HE2      HIS  40  -2.809   9.026 -12.243
  282    H    THR  41           HN       THR  41  -8.116  10.134  -7.456
  283    HA   THR  41           HA       THR  41  -5.596  11.382  -6.847
  284    HB   THR  41           HB       THR  41  -6.980  12.266  -4.866
  285    HG1  THR  41           HG1      THR  41  -9.212  12.243  -5.234
  286   HG21  THR  41          HG21      THR  41  -6.243  13.694  -6.633
  287   HG22  THR  41          HG22      THR  41  -7.938  14.042  -6.270
  288   HG23  THR  41          HG23      THR  41  -7.518  13.098  -7.702
  289    HA   PRO  42           HA       PRO  42  -4.645   8.489  -3.506
  290    HB2  PRO  42           HB2      PRO  42  -2.042   9.751  -3.576
  291    HB3  PRO  42           HB1      PRO  42  -2.467   8.093  -4.002
  292    HG2  PRO  42           HG2      PRO  42  -1.638   9.938  -5.829
  293    HG3  PRO  42           HG1      PRO  42  -2.715   8.584  -6.215
  294    HD2  PRO  42           HD2      PRO  42  -3.418  11.458  -5.696
  295    HD3  PRO  42           HD1      PRO  42  -4.055  10.342  -6.924
  296    H    GLU  43           HN       GLU  43  -4.555  11.850  -3.956
  297    HA   GLU  43           HA       GLU  43  -3.759  12.645  -1.337
  298    HB2  GLU  43           HB2      GLU  43  -5.199  14.191  -3.487
  299    HB3  GLU  43           HB1      GLU  43  -4.397  14.884  -2.080
  300    HG2  GLU  43           HG2      GLU  43  -2.268  14.127  -2.878
  301    HG3  GLU  43           HG1      GLU  43  -3.057  13.250  -4.183
  302    H    SER  44           HN       SER  44  -6.775  12.289  -3.095
  303    HA   SER  44           HA       SER  44  -8.462  13.178  -0.998
  304    HB2  SER  44           HB2      SER  44  -9.121  11.527  -3.425
  305    HB3  SER  44           HB1      SER  44 -10.267  12.441  -2.453
  306    HG   SER  44           HG       SER  44  -8.828  14.300  -3.034
  307    H    ILE  45           HN       ILE  45  -6.883  10.262  -1.736
  308    HA   ILE  45           HA       ILE  45  -8.533   8.507  -0.167
  309    HB   ILE  45           HB       ILE  45  -5.705   8.168  -1.165
  310   HG12  ILE  45          HG12      ILE  45  -7.269   8.449  -2.999
  311   HG13  ILE  45          HG11      ILE  45  -6.706   6.787  -2.924
  312   HG21  ILE  45          HG21      ILE  45  -7.604   6.039  -0.204
  313   HG22  ILE  45          HG22      ILE  45  -6.254   6.683   0.736
  314   HG23  ILE  45          HG23      ILE  45  -5.945   5.809  -0.767
  315   HD11  ILE  45          HD11      ILE  45  -8.793   6.109  -1.887
  316   HD12  ILE  45          HD12      ILE  45  -9.069   6.915  -3.433
  317   HD13  ILE  45          HD13      ILE  45  -9.358   7.781  -1.925
  318    H    SER  46           HN       SER  46  -8.694   9.308   1.915
  319    HA   SER  46           HA       SER  46  -6.488  10.312   3.390
  320    HB2  SER  46           HB2      SER  46  -9.042  10.661   3.783
  321    HB3  SER  46           HB1      SER  46  -8.926   9.145   4.669
  322    HG   SER  46           HG       SER  46  -7.792  11.638   5.252
  323    HA   PRO  47           HA       PRO  47  -4.755   6.434   4.495
  324    HB2  PRO  47           HB2      PRO  47  -2.836   7.257   6.103
  325    HB3  PRO  47           HB1      PRO  47  -2.901   7.887   4.454
  326    HG2  PRO  47           HG2      PRO  47  -3.721   9.188   7.006
  327    HG3  PRO  47           HG1      PRO  47  -2.947   9.902   5.585
  328    HD2  PRO  47           HD2      PRO  47  -5.716   9.900   6.198
  329    HD3  PRO  47           HD1      PRO  47  -4.968  10.395   4.658
  330    H    ALA  48           HN       ALA  48  -6.813   7.999   6.437
  331    HA   ALA  48           HA       ALA  48  -6.333   6.239   8.710
  332    HB1  ALA  48           HB1      ALA  48  -6.593   8.045  10.232
  333    HB2  ALA  48           HB2      ALA  48  -7.044   9.139   8.924
  334    HB3  ALA  48           HB3      ALA  48  -5.397   8.509   9.014
  335    H    THR  49           HN       THR  49  -8.437   7.211   6.398
  336    HA   THR  49           HA       THR  49 -10.914   7.331   7.742
  337    HB   THR  49           HB       THR  49 -10.070   6.782   4.917
  338    HG1  THR  49           HG1      THR  49 -11.706   8.806   5.046
  339   HG21  THR  49          HG21      THR  49 -12.904   6.837   5.927
  340   HG22  THR  49          HG22      THR  49 -12.039   5.431   5.304
  341   HG23  THR  49          HG23      THR  49 -12.406   6.787   4.234
  342    H    ALA  50           HN       ALA  50  -9.106   4.801   6.199
  343    HA   ALA  50           HA       ALA  50  -8.949   2.559   6.784
  344    HB1  ALA  50           HB1      ALA  50 -11.821   2.727   7.676
  345    HB2  ALA  50           HB2      ALA  50 -10.405   2.683   8.734
  346    HB3  ALA  50           HB3      ALA  50 -10.797   1.290   7.722
  347    H    PHE  51           HN       PHE  51  -8.994   1.131   5.305
  348    HA   PHE  51           HA       PHE  51 -10.002   1.487   2.766
  349    HB2  PHE  51           HB2      PHE  51  -9.314  -1.027   4.254
  350    HB3  PHE  51           HB1      PHE  51  -9.659  -0.995   2.524
  351    HD1  PHE  51           HD1      PHE  51  -8.404   1.199   1.428
  352    HD2  PHE  51           HD2      PHE  51  -7.127  -1.165   4.705
  353    HE1  PHE  51           HE1      PHE  51  -6.088   1.880   0.997
  354    HE2  PHE  51           HE2      PHE  51  -4.824  -0.479   4.306
  355    HZ   PHE  51           HZ       PHE  51  -4.283   1.032   2.437
  356    H    LYS  52           HN       LYS  52 -11.430  -0.380   5.405
  357    HA   LYS  52           HA       LYS  52 -13.664  -1.355   4.139
  358    HB2  LYS  52           HB2      LYS  52 -13.372  -0.250   6.942
  359    HB3  LYS  52           HB1      LYS  52 -14.746  -1.205   6.392
  360    HG2  LYS  52           HG2      LYS  52 -13.082  -3.013   5.816
  361    HG3  LYS  52           HG1      LYS  52 -11.877  -2.047   6.658
  362    HD2  LYS  52           HD2      LYS  52 -14.428  -3.065   7.871
  363    HD3  LYS  52           HD1      LYS  52 -12.861  -3.845   8.053
  364    HE2  LYS  52           HE2      LYS  52 -12.022  -1.721   9.063
  365    HE3  LYS  52           HE1      LYS  52 -13.678  -1.117   9.014
  366    HZ1  LYS  52           HZ1      LYS  52 -14.353  -2.950  10.435
  367    HZ2  LYS  52           HZ2      LYS  52 -13.142  -2.039  11.181
  368    HZ3  LYS  52           HZ3      LYS  52 -12.766  -3.531  10.482
  369    H    ASP  53           HN       ASP  53 -13.062   1.761   5.605
  370    HA   ASP  53           HA       ASP  53 -15.702   2.770   5.178
  371    HB2  ASP  53           HB2      ASP  53 -13.118   3.994   6.139
  372    HB3  ASP  53           HB1      ASP  53 -14.561   4.974   5.865
  373    H    LEU  54           HN       LEU  54 -13.008   2.361   3.280
  374    HA   LEU  54           HA       LEU  54 -13.408   4.679   1.582
  375    HB2  LEU  54           HB2      LEU  54 -11.363   2.514   1.778
  376    HB3  LEU  54           HB1      LEU  54 -11.457   3.475   0.323
  377    HG   LEU  54           HG       LEU  54 -11.140   4.685   3.066
  378   HD11  LEU  54          HD11      LEU  54  -9.006   3.875   1.114
  379   HD12  LEU  54          HD12      LEU  54  -9.242   3.262   2.751
  380   HD13  LEU  54          HD13      LEU  54  -8.753   4.937   2.497
  381   HD21  LEU  54          HD21      LEU  54 -10.657   5.711   0.286
  382   HD22  LEU  54          HD22      LEU  54 -10.284   6.587   1.770
  383   HD23  LEU  54          HD23      LEU  54 -11.958   6.191   1.374
  384    H    GLY  55           HN       GLY  55 -14.130   1.286   1.683
  385    HA2  GLY  55           HA2      GLY  55 -15.999   0.696   0.141
  386    HA3  GLY  55           HA1      GLY  55 -15.045   1.460  -1.125
  387    H    ILE  56           HN       ILE  56 -12.838   0.085   0.772
  388    HA   ILE  56           HA       ILE  56 -12.235  -2.074  -0.926
  389    HB   ILE  56           HB       ILE  56 -11.361  -1.400   1.867
  390   HG12  ILE  56          HG12      ILE  56 -10.179   0.073   0.624
  391   HG13  ILE  56          HG11      ILE  56  -9.107  -1.304   0.483
  392   HG21  ILE  56          HG21      ILE  56 -10.829  -3.812   0.274
  393   HG22  ILE  56          HG22      ILE  56 -11.046  -3.607   2.017
  394   HG23  ILE  56          HG23      ILE  56  -9.525  -3.138   1.245
  395   HD11  ILE  56          HD11      ILE  56 -10.058  -1.838  -1.695
  396   HD12  ILE  56          HD12      ILE  56  -9.382  -0.210  -1.639
  397   HD13  ILE  56          HD13      ILE  56 -11.127  -0.436  -1.560
  398    H    ASP  57           HN       ASP  57 -13.840  -3.576  -1.178
  399    HA   ASP  57           HA       ASP  57 -14.502  -5.092   1.257
  400    HB2  ASP  57           HB2      ASP  57 -16.435  -3.831   0.296
  401    HB3  ASP  57           HB1      ASP  57 -16.258  -4.774  -1.181
  402    H    SER  58           HN       SER  58 -12.796  -6.517   0.978
  403    HA   SER  58           HA       SER  58 -11.827  -8.462   0.410
  404    HB2  SER  58           HB2      SER  58 -13.254 -10.267  -0.508
  405    HB3  SER  58           HB1      SER  58 -13.986  -9.435   0.860
  406    HG   SER  58           HG       SER  58 -15.086  -8.135  -0.856
  407    H    LEU  59           HN       LEU  59 -13.810  -8.137  -2.530
  408    HA   LEU  59           HA       LEU  59 -11.919  -8.940  -4.387
  409    HB2  LEU  59           HB2      LEU  59 -14.140  -6.913  -4.602
  410    HB3  LEU  59           HB1      LEU  59 -13.249  -7.498  -5.988
  411    HG   LEU  59           HG       LEU  59 -14.924  -9.213  -4.152
  412   HD11  LEU  59          HD11      LEU  59 -16.279  -7.654  -5.413
  413   HD12  LEU  59          HD12      LEU  59 -16.480  -9.289  -6.047
  414   HD13  LEU  59          HD13      LEU  59 -15.467  -8.126  -6.904
  415   HD21  LEU  59          HD21      LEU  59 -13.084 -10.437  -5.198
  416   HD22  LEU  59          HD22      LEU  59 -13.581  -9.840  -6.780
  417   HD23  LEU  59          HD23      LEU  59 -14.637 -10.923  -5.875
  418    H    THR  60           HN       THR  60 -12.678  -5.632  -3.367
  419    HA   THR  60           HA       THR  60 -10.536  -4.570  -4.986
  420    HB   THR  60           HB       THR  60 -11.254  -2.405  -3.734
  421    HG1  THR  60           HG1      THR  60 -13.680  -2.864  -3.285
  422   HG21  THR  60          HG21      THR  60 -13.063  -3.887  -5.642
  423   HG22  THR  60          HG22      THR  60 -11.674  -2.887  -6.078
  424   HG23  THR  60          HG23      THR  60 -13.101  -2.145  -5.344
  425    H    ALA  61           HN       ALA  61 -10.928  -5.752  -1.845
  426    HA   ALA  61           HA       ALA  61  -8.616  -4.526  -0.722
  427    HB1  ALA  61           HB1      ALA  61  -8.767  -6.189   1.005
  428    HB2  ALA  61           HB2      ALA  61  -9.830  -7.193   0.015
  429    HB3  ALA  61           HB3      ALA  61 -10.399  -5.637   0.624
  430    H    LEU  62           HN       LEU  62  -9.226  -7.232  -2.876
  431    HA   LEU  62           HA       LEU  62  -6.575  -8.296  -2.611
  432    HB2  LEU  62           HB2      LEU  62  -8.907  -9.415  -3.248
  433    HB3  LEU  62           HB1      LEU  62  -8.398  -8.966  -4.855
  434    HG   LEU  62           HG       LEU  62  -7.563 -11.071  -4.828
  435   HD11  LEU  62          HD11      LEU  62  -5.609  -9.601  -5.022
  436   HD12  LEU  62          HD12      LEU  62  -5.221 -11.167  -4.308
  437   HD13  LEU  62          HD13      LEU  62  -5.355  -9.738  -3.281
  438   HD21  LEU  62          HD21      LEU  62  -8.487 -11.671  -2.700
  439   HD22  LEU  62          HD22      LEU  62  -7.219 -10.784  -1.857
  440   HD23  LEU  62          HD23      LEU  62  -6.817 -12.234  -2.777
  441    H    GLU  63           HN       GLU  63  -8.448  -6.395  -4.970
  442    HA   GLU  63           HA       GLU  63  -6.455  -6.077  -6.919
  443    HB2  GLU  63           HB2      GLU  63  -8.482  -4.044  -5.994
  444    HB3  GLU  63           HB1      GLU  63  -7.790  -4.192  -7.616
  445    HG2  GLU  63           HG2      GLU  63  -9.558  -6.135  -6.225
  446    HG3  GLU  63           HG1      GLU  63 -10.069  -4.995  -7.463
  447    H    LEU  64           HN       LEU  64  -7.257  -4.391  -3.962
  448    HA   LEU  64           HA       LEU  64  -5.318  -2.382  -4.010
  449    HB2  LEU  64           HB2      LEU  64  -7.152  -3.375  -2.135
  450    HB3  LEU  64           HB1      LEU  64  -5.569  -3.652  -1.415
  451    HG   LEU  64           HG       LEU  64  -6.762  -1.018  -2.229
  452   HD11  LEU  64          HD11      LEU  64  -6.732  -0.497   0.044
  453   HD12  LEU  64          HD12      LEU  64  -5.605  -1.804   0.423
  454   HD13  LEU  64          HD13      LEU  64  -7.285  -2.181   0.011
  455   HD21  LEU  64          HD21      LEU  64  -3.958  -1.670  -1.356
  456   HD22  LEU  64          HD22      LEU  64  -4.621  -0.039  -1.486
  457   HD23  LEU  64          HD23      LEU  64  -4.444  -1.043  -2.929
  458    H    ARG  65           HN       ARG  65  -5.336  -5.696  -3.055
  459    HA   ARG  65           HA       ARG  65  -2.717  -5.787  -1.936
  460    HB2  ARG  65           HB2      ARG  65  -4.390  -7.429  -1.313
  461    HB3  ARG  65           HB1      ARG  65  -4.517  -7.988  -2.973
  462    HG2  ARG  65           HG2      ARG  65  -1.870  -8.146  -1.613
  463    HG3  ARG  65           HG1      ARG  65  -3.122  -9.305  -1.168
  464    HD2  ARG  65           HD2      ARG  65  -3.299 -10.077  -3.426
  465    HD3  ARG  65           HD1      ARG  65  -2.230  -8.798  -4.003
  466    HE   ARG  65           HE       ARG  65  -0.971 -10.443  -2.040
  467   HH11  ARG  65          HH11      ARG  65  -1.860 -10.310  -5.429
  468   HH12  ARG  65          HH12      ARG  65  -0.586 -11.372  -5.936
  469   HH21  ARG  65          HH21      ARG  65   0.704 -11.847  -2.708
  470   HH22  ARG  65          HH22      ARG  65   0.870 -12.251  -4.384
  471    H    ASN  66           HN       ASN  66  -4.064  -6.822  -4.973
  472    HA   ASN  66           HA       ASN  66  -1.809  -7.773  -6.245
  473    HB2  ASN  66           HB2      ASN  66  -4.432  -6.653  -7.148
  474    HB3  ASN  66           HB1      ASN  66  -3.221  -7.067  -8.346
  475   HD21  ASN  66          HD21      ASN  66  -5.859  -8.272  -7.725
  476   HD22  ASN  66          HD22      ASN  66  -5.538  -9.942  -7.433
  477    H    THR  67           HN       THR  67  -3.006  -4.446  -5.996
  478    HA   THR  67           HA       THR  67  -1.022  -3.408  -7.771
  479    HB   THR  67           HB       THR  67  -2.611  -1.965  -5.663
  480    HG1  THR  67           HG1      THR  67  -4.071  -2.789  -7.099
  481   HG21  THR  67          HG21      THR  67  -1.125  -0.928  -8.075
  482   HG22  THR  67          HG22      THR  67  -0.664  -0.687  -6.388
  483   HG23  THR  67          HG23      THR  67  -2.146   0.040  -7.013
  484    H    LEU  68           HN       LEU  68  -1.402  -3.341  -4.235
  485    HA   LEU  68           HA       LEU  68   0.901  -2.055  -3.487
  486    HB2  LEU  68           HB2      LEU  68  -0.184  -4.533  -2.150
  487    HB3  LEU  68           HB1      LEU  68   0.807  -3.304  -1.406
  488    HG   LEU  68           HG       LEU  68  -1.957  -2.774  -2.453
  489   HD11  LEU  68          HD11      LEU  68  -1.182  -3.253   0.408
  490   HD12  LEU  68          HD12      LEU  68  -1.778  -4.535  -0.641
  491   HD13  LEU  68          HD13      LEU  68  -2.800  -3.145  -0.290
  492   HD21  LEU  68          HD21      LEU  68  -1.820  -0.798  -1.056
  493   HD22  LEU  68          HD22      LEU  68  -0.478  -0.819  -2.201
  494   HD23  LEU  68          HD23      LEU  68  -0.209  -1.263  -0.516
  495    H    THR  69           HN       THR  69   0.518  -5.568  -3.747
  496    HA   THR  69           HA       THR  69   3.145  -6.250  -3.208
  497    HB   THR  69           HB       THR  69   0.735  -7.572  -4.096
  498    HG1  THR  69           HG1      THR  69   3.037  -8.798  -2.986
  499   HG21  THR  69          HG21      THR  69   1.685  -9.461  -5.305
  500   HG22  THR  69          HG22      THR  69   3.276  -8.698  -5.281
  501   HG23  THR  69          HG23      THR  69   1.959  -7.963  -6.198
  502    H    HIS  70           HN       HIS  70   1.644  -5.289  -6.229
  503    HA   HIS  70           HA       HIS  70   3.768  -6.127  -7.909
  504    HB2  HIS  70           HB2      HIS  70   1.475  -5.779  -8.743
  505    HB3  HIS  70           HB1      HIS  70   1.580  -4.081  -8.338
  506    HD1  HIS  70           HD1      HIS  70   2.283  -6.476 -11.029
  507    HD2  HIS  70           HD2      HIS  70   3.373  -2.591 -10.039
  508    HE1  HIS  70           HE1      HIS  70   3.196  -5.469 -13.142
  509    HE2  HIS  70           HE2      HIS  70   3.684  -3.071 -12.564
  510    H    ASN  71           HN       ASN  71   2.945  -3.070  -6.352
  511    HA   ASN  71           HA       ASN  71   5.119  -1.688  -7.627
  512    HB2  ASN  71           HB2      ASN  71   3.167  -0.849  -5.519
  513    HB3  ASN  71           HB1      ASN  71   4.420   0.208  -6.166
  514   HD21  ASN  71          HD21      ASN  71   1.504  -1.509  -6.842
  515   HD22  ASN  71          HD22      ASN  71   1.096  -0.670  -8.290
  516    H    THR  72           HN       THR  72   4.799  -3.541  -4.774
  517    HA   THR  72           HA       THR  72   7.197  -2.274  -3.651
  518    HB   THR  72           HB       THR  72   6.461  -3.133  -1.477
  519    HG1  THR  72           HG1      THR  72   4.008  -3.850  -2.725
  520   HG21  THR  72          HG21      THR  72   4.048  -1.780  -2.599
  521   HG22  THR  72          HG22      THR  72   5.591  -0.928  -2.669
  522   HG23  THR  72          HG23      THR  72   4.935  -1.437  -1.111
  523    H    GLY  73           HN       GLY  73   5.947  -5.138  -5.035
  524    HA2  GLY  73           HA2      GLY  73   7.313  -6.840  -5.839
  525    HA3  GLY  73           HA1      GLY  73   8.628  -6.169  -4.900
  526    H    LEU  74           HN       LEU  74   5.932  -6.483  -3.024
  527    HA   LEU  74           HA       LEU  74   7.167  -8.666  -1.590
  528    HB2  LEU  74           HB2      LEU  74   5.915  -6.332  -0.855
  529    HB3  LEU  74           HB1      LEU  74   4.701  -7.545  -0.510
  530    HG   LEU  74           HG       LEU  74   6.329  -8.768   0.869
  531   HD11  LEU  74          HD11      LEU  74   8.096  -6.551  -0.091
  532   HD12  LEU  74          HD12      LEU  74   8.422  -8.284  -0.007
  533   HD13  LEU  74          HD13      LEU  74   8.403  -7.318   1.472
  534   HD21  LEU  74          HD21      LEU  74   4.822  -7.028   1.820
  535   HD22  LEU  74          HD22      LEU  74   6.151  -5.876   1.672
  536   HD23  LEU  74          HD23      LEU  74   6.311  -7.275   2.729
  537    H    ASP  75           HN       ASP  75   5.465 -10.152  -0.453
  538    HA   ASP  75           HA       ASP  75   3.539 -11.081  -2.454
  539    HB2  ASP  75           HB2      ASP  75   5.633 -12.274  -2.865
  540    HB3  ASP  75           HB1      ASP  75   5.666 -12.771  -1.181
  541    H    LEU  76           HN       LEU  76   2.350  -9.959  -0.641
  542    HA   LEU  76           HA       LEU  76   1.781 -11.795   1.574
  543    HB2  LEU  76           HB2      LEU  76   2.279  -9.413   2.091
  544    HB3  LEU  76           HB1      LEU  76   0.866  -8.947   1.166
  545    HG   LEU  76           HG       LEU  76  -0.542 -10.249   2.768
  546   HD11  LEU  76          HD11      LEU  76   1.188 -11.771   3.588
  547   HD12  LEU  76          HD12      LEU  76   0.418 -10.895   4.910
  548   HD13  LEU  76          HD13      LEU  76   2.019 -10.416   4.350
  549   HD21  LEU  76          HD21      LEU  76  -0.270  -7.832   2.964
  550   HD22  LEU  76          HD22      LEU  76   1.156  -8.072   3.972
  551   HD23  LEU  76          HD23      LEU  76  -0.427  -8.593   4.546
  552    HA   PRO  77           HA       PRO  77  -1.917 -13.054  -0.681
  553    HB2  PRO  77           HB2      PRO  77  -2.655 -14.303   1.888
  554    HB3  PRO  77           HB1      PRO  77  -2.382 -15.054   0.315
  555    HG2  PRO  77           HG2      PRO  77  -0.652 -15.367   2.334
  556    HG3  PRO  77           HG1      PRO  77  -0.110 -15.250   0.648
  557    HD2  PRO  77           HD2      PRO  77  -0.099 -13.157   2.792
  558    HD3  PRO  77           HD1      PRO  77   1.150 -13.550   1.591
  559    HA   PRO  78           HA       PRO  78  -5.441 -10.581   0.626
  560    HB2  PRO  78           HB2      PRO  78  -7.371 -12.434   1.396
  561    HB3  PRO  78           HB1      PRO  78  -7.091 -11.862  -0.250
  562    HG2  PRO  78           HG2      PRO  78  -6.131 -14.357   1.077
  563    HG3  PRO  78           HG1      PRO  78  -6.715 -14.120  -0.580
  564    HD2  PRO  78           HD2      PRO  78  -4.112 -14.351  -0.068
  565    HD3  PRO  78           HD1      PRO  78  -4.697 -13.202  -1.288
  566    H    THR  79           HN       THR  79  -7.374 -10.716   2.568
  567    HA   THR  79           HA       THR  79  -7.716 -10.070   4.630
  568    HB   THR  79           HB       THR  79  -6.912 -11.465   6.497
  569    HG1  THR  79           HG1      THR  79  -5.086 -12.286   4.667
  570   HG21  THR  79          HG21      THR  79  -8.952 -12.030   5.309
  571   HG22  THR  79          HG22      THR  79  -8.108 -13.492   5.815
  572   HG23  THR  79          HG23      THR  79  -8.028 -12.967   4.134
  573    H    LEU  80           HN       LEU  80  -5.108  -9.188   3.210
  574    HA   LEU  80           HA       LEU  80  -3.484  -8.292   5.383
  575    HB2  LEU  80           HB2      LEU  80  -2.163  -7.161   3.783
  576    HB3  LEU  80           HB1      LEU  80  -2.637  -8.682   3.061
  577    HG   LEU  80           HG       LEU  80  -3.970  -6.044   2.441
  578   HD11  LEU  80          HD11      LEU  80  -1.815  -7.525   0.944
  579   HD12  LEU  80          HD12      LEU  80  -1.645  -5.970   1.759
  580   HD13  LEU  80          HD13      LEU  80  -2.693  -6.117   0.348
  581   HD21  LEU  80          HD21      LEU  80  -4.049  -8.689   0.993
  582   HD22  LEU  80          HD22      LEU  80  -4.898  -7.211   0.538
  583   HD23  LEU  80          HD23      LEU  80  -5.332  -8.054   2.020
  584    H    ILE  81           HN       ILE  81  -6.083  -6.914   3.474
  585    HA   ILE  81           HA       ILE  81  -5.888  -4.284   4.556
  586    HB   ILE  81           HB       ILE  81  -8.419  -5.579   3.518
  587   HG12  ILE  81          HG12      ILE  81  -6.814  -5.772   1.749
  588   HG13  ILE  81          HG11      ILE  81  -7.828  -4.390   1.397
  589   HG21  ILE  81          HG21      ILE  81  -7.534  -2.724   3.664
  590   HG22  ILE  81          HG22      ILE  81  -8.755  -3.481   4.693
  591   HG23  ILE  81          HG23      ILE  81  -9.047  -3.295   2.958
  592   HD11  ILE  81          HD11      ILE  81  -6.135  -2.902   2.197
  593   HD12  ILE  81          HD12      ILE  81  -5.480  -3.968   0.949
  594   HD13  ILE  81          HD13      ILE  81  -5.117  -4.269   2.652
  595    H    PHE  82           HN       PHE  82  -7.439  -7.218   5.514
  596    HA   PHE  82           HA       PHE  82  -9.042  -6.208   7.585
  597    HB2  PHE  82           HB2      PHE  82  -7.893  -8.959   7.091
  598    HB3  PHE  82           HB1      PHE  82  -9.115  -8.595   8.299
  599    HD1  PHE  82           HD1      PHE  82 -11.314  -8.910   7.747
  600    HD2  PHE  82           HD2      PHE  82  -8.517  -8.109   4.634
  601    HE1  PHE  82           HE1      PHE  82 -13.088  -9.202   6.073
  602    HE2  PHE  82           HE2      PHE  82 -10.289  -8.404   2.963
  603    HZ   PHE  82           HZ       PHE  82 -12.575  -8.947   3.672
  604    H    ASP  83           HN       ASP  83  -5.684  -7.107   7.405
  605    HA   ASP  83           HA       ASP  83  -5.346  -6.858  10.294
  606    HB2  ASP  83           HB2      ASP  83  -4.154  -8.655   9.028
  607    HB3  ASP  83           HB1      ASP  83  -3.256  -7.404   8.183
  608    H    HIS  84           HN       HIS  84  -4.710  -5.163   7.325
  609    HA   HIS  84           HA       HIS  84  -3.654  -2.878   8.860
  610    HB2  HIS  84           HB2      HIS  84  -2.812  -3.856   6.124
  611    HB3  HIS  84           HB1      HIS  84  -2.355  -2.289   6.776
  612    HD1  HIS  84           HD1      HIS  84  -0.518  -2.261   8.600
  613    HD2  HIS  84           HD2      HIS  84  -1.535  -6.070   7.283
  614    HE1  HIS  84           HE1      HIS  84   1.257  -3.784   9.507
  615    HE2  HIS  84           HE2      HIS  84   0.474  -6.100   8.906
  616    HA   PRO  85           HA       PRO  85  -7.566  -2.031   6.764
  617    HB2  PRO  85           HB2      PRO  85  -8.820  -0.759   8.736
  618    HB3  PRO  85           HB1      PRO  85  -8.484  -2.492   8.836
  619    HG2  PRO  85           HG2      PRO  85  -7.047  -0.206  10.123
  620    HG3  PRO  85           HG1      PRO  85  -7.463  -1.792  10.800
  621    HD2  PRO  85           HD2      PRO  85  -4.986  -1.098   9.753
  622    HD3  PRO  85           HD1      PRO  85  -5.581  -2.757   9.962
  623    H    THR  86           HN       THR  86  -5.125   0.221   7.301
  624    HA   THR  86           HA       THR  86  -6.783   2.250   6.003
  625    HB   THR  86           HB       THR  86  -5.697   4.031   7.210
  626    HG1  THR  86           HG1      THR  86  -4.466   2.946   9.214
  627   HG21  THR  86          HG21      THR  86  -6.777   1.926   9.083
  628   HG22  THR  86          HG22      THR  86  -7.708   3.168   8.244
  629   HG23  THR  86          HG23      THR  86  -6.552   3.626   9.494
  630    HA   PRO  87           HA       PRO  87  -3.509   2.611   2.970
  631    HB2  PRO  87           HB2      PRO  87  -3.672   5.549   3.347
  632    HB3  PRO  87           HB1      PRO  87  -3.759   4.597   1.865
  633    HG2  PRO  87           HG2      PRO  87  -5.964   5.652   2.919
  634    HG3  PRO  87           HG1      PRO  87  -5.985   4.039   2.184
  635    HD2  PRO  87           HD2      PRO  87  -5.986   4.806   5.075
  636    HD3  PRO  87           HD1      PRO  87  -6.826   3.472   4.260
  637    H    HIS  88           HN       HIS  88  -3.329   4.549   5.890
  638    HA   HIS  88           HA       HIS  88  -0.534   4.864   6.041
  639    HB2  HIS  88           HB2      HIS  88  -2.130   6.037   7.514
  640    HB3  HIS  88           HB1      HIS  88  -2.581   4.510   8.246
  641    HD1  HIS  88           HD1      HIS  88   0.720   6.380   7.765
  642    HD2  HIS  88           HD2      HIS  88  -1.403   4.247  10.631
  643    HE1  HIS  88           HE1      HIS  88   2.160   6.400   9.825
  644    HE2  HIS  88           HE2      HIS  88   0.825   5.160  11.567
  645    H    ALA  89           HN       ALA  89  -2.680   2.391   7.370
  646    HA   ALA  89           HA       ALA  89  -0.856   0.709   8.581
  647    HB1  ALA  89           HB1      ALA  89  -2.542  -0.975   8.456
  648    HB2  ALA  89           HB2      ALA  89  -3.328  -0.148   7.104
  649    HB3  ALA  89           HB3      ALA  89  -3.332   0.584   8.715
  650    H    LEU  90           HN       LEU  90  -2.281   0.086   5.334
  651    HA   LEU  90           HA       LEU  90  -0.675  -2.020   4.612
  652    HB2  LEU  90           HB2      LEU  90  -2.004   0.143   3.047
  653    HB3  LEU  90           HB1      LEU  90  -1.022  -1.053   2.221
  654    HG   LEU  90           HG       LEU  90  -3.578  -1.411   3.722
  655   HD11  LEU  90          HD11      LEU  90  -4.117  -2.523   1.490
  656   HD12  LEU  90          HD12      LEU  90  -2.671  -1.700   0.906
  657   HD13  LEU  90          HD13      LEU  90  -4.017  -0.767   1.554
  658   HD21  LEU  90          HD21      LEU  90  -2.090  -3.231   4.365
  659   HD22  LEU  90          HD22      LEU  90  -1.861  -3.620   2.659
  660   HD23  LEU  90          HD23      LEU  90  -3.463  -3.767   3.395
  661    H    THR  91           HN       THR  91  -0.044   1.427   4.161
  662    HA   THR  91           HA       THR  91   2.427   1.265   2.896
  663    HB   THR  91           HB       THR  91   1.248   3.274   4.818
  664    HG1  THR  91           HG1      THR  91   0.282   3.566   2.935
  665   HG21  THR  91          HG21      THR  91   3.108   4.811   3.956
  666   HG22  THR  91          HG22      THR  91   3.959   3.322   3.537
  667   HG23  THR  91          HG23      THR  91   3.517   3.643   5.211
  668    H    GLN  92           HN       GLN  92   1.665   1.404   6.360
  669    HA   GLN  92           HA       GLN  92   4.209   1.254   7.410
  670    HB2  GLN  92           HB2      GLN  92   1.641   0.033   8.425
  671    HB3  GLN  92           HB1      GLN  92   3.099   0.184   9.388
  672    HG2  GLN  92           HG2      GLN  92   2.944   2.685   8.909
  673    HG3  GLN  92           HG1      GLN  92   1.314   2.343   8.343
  674   HE21  GLN  92          HE21      GLN  92   3.421   2.449  11.091
  675   HE22  GLN  92          HE22      GLN  92   2.185   2.329  12.296
  676    H    HIS  93           HN       HIS  93   2.151  -1.342   6.216
  677    HA   HIS  93           HA       HIS  93   3.705  -3.513   7.066
  678    HB2  HIS  93           HB2      HIS  93   1.469  -3.898   6.270
  679    HB3  HIS  93           HB1      HIS  93   1.854  -3.211   4.696
  680    HD1  HIS  93           HD1      HIS  93   2.698  -6.251   6.815
  681    HD2  HIS  93           HD2      HIS  93   2.720  -5.012   2.837
  682    HE1  HIS  93           HE1      HIS  93   3.291  -8.290   5.477
  683    HE2  HIS  93           HE2      HIS  93   3.434  -7.499   3.097
  684    H    LEU  94           HN       LEU  94   3.735  -1.807   3.923
  685    HA   LEU  94           HA       LEU  94   5.908  -3.477   2.970
  686    HB2  LEU  94           HB2      LEU  94   4.658  -1.002   1.742
  687    HB3  LEU  94           HB1      LEU  94   5.653  -2.188   0.921
  688    HG   LEU  94           HG       LEU  94   3.052  -2.960   2.211
  689   HD11  LEU  94          HD11      LEU  94   3.290  -2.273  -0.693
  690   HD12  LEU  94          HD12      LEU  94   2.776  -1.093   0.525
  691   HD13  LEU  94          HD13      LEU  94   1.842  -2.568   0.277
  692   HD21  LEU  94          HD21      LEU  94   3.140  -4.794   0.609
  693   HD22  LEU  94          HD22      LEU  94   4.610  -4.750   1.576
  694   HD23  LEU  94          HD23      LEU  94   4.628  -4.146  -0.086
  695    H    HIS  95           HN       HIS  95   5.612  -0.472   4.616
  696    HA   HIS  95           HA       HIS  95   8.200   0.562   3.826
  697    HB2  HIS  95           HB2      HIS  95   6.281   2.036   4.605
  698    HB3  HIS  95           HB1      HIS  95   6.496   1.357   6.208
  699    HD1  HIS  95           HD1      HIS  95   8.455   2.183   7.605
  700    HD2  HIS  95           HD2      HIS  95   8.311   3.890   3.804
  701    HE1  HIS  95           HE1      HIS  95  10.065   4.103   7.664
  702    HE2  HIS  95           HE2      HIS  95   9.752   5.258   5.456
  703    H    THR  96           HN       THR  96   6.825  -1.554   6.149
  704    HA   THR  96           HA       THR  96   9.130  -1.559   7.888
  705    HB   THR  96           HB       THR  96   6.355  -2.526   7.956
  706    HG1  THR  96           HG1      THR  96   6.442  -1.507   9.801
  707   HG21  THR  96          HG21      THR  96   8.481  -4.155   9.329
  708   HG22  THR  96          HG22      THR  96   7.478  -4.681   7.978
  709   HG23  THR  96          HG23      THR  96   6.739  -4.326   9.540
  710    H    ARG  97           HN       ARG  97   7.434  -3.731   5.647
  711    HA   ARG  97           HA       ARG  97   9.161  -5.913   5.964
  712    HB2  ARG  97           HB2      ARG  97   7.161  -5.121   3.905
  713    HB3  ARG  97           HB1      ARG  97   8.173  -6.531   3.644
  714    HG2  ARG  97           HG2      ARG  97   6.456  -6.079   6.053
  715    HG3  ARG  97           HG1      ARG  97   5.990  -7.070   4.670
  716    HD2  ARG  97           HD2      ARG  97   7.881  -8.537   5.077
  717    HD3  ARG  97           HD1      ARG  97   8.408  -7.533   6.424
  718    HE   ARG  97           HE       ARG  97   5.738  -8.463   6.785
  719   HH11  ARG  97          HH11      ARG  97   9.079  -9.485   6.984
  720   HH12  ARG  97          HH12      ARG  97   8.770 -10.683   8.201
  721   HH21  ARG  97          HH21      ARG  97   5.328 -10.044   8.363
  722   HH22  ARG  97          HH22      ARG  97   6.634 -11.000   8.988
  723    H    LEU  98           HN       LEU  98   9.451  -3.045   4.178
  724    HA   LEU  98           HA       LEU  98  11.378  -3.908   2.301
  725    HB2  LEU  98           HB2      LEU  98   9.858  -1.784   2.476
  726    HB3  LEU  98           HB1      LEU  98  11.315  -1.124   3.205
  727    HG   LEU  98           HG       LEU  98  12.593  -1.519   1.237
  728   HD11  LEU  98          HD11      LEU  98  10.272  -3.273   0.506
  729   HD12  LEU  98          HD12      LEU  98  11.996  -3.663   0.526
  730   HD13  LEU  98          HD13      LEU  98  11.341  -2.629  -0.743
  731   HD21  LEU  98          HD21      LEU  98  11.123   0.393   1.132
  732   HD22  LEU  98          HD22      LEU  98   9.842  -0.626   0.481
  733   HD23  LEU  98          HD23      LEU  98  11.305  -0.344  -0.460
  734    H    THR  99           HN       THR  99  11.542  -3.239   5.638
  735    HA   THR  99           HA       THR  99  14.476  -3.047   5.498
  736    HB   THR  99           HB       THR  99  13.630  -0.874   5.965
  737    HG1  THR  99           HG1      THR  99  14.723  -2.159   8.258
  738   HG21  THR  99          HG21      THR  99  12.109  -2.115   8.236
  739   HG22  THR  99          HG22      THR  99  11.438  -1.366   6.783
  740   HG23  THR  99          HG23      THR  99  12.286  -0.379   7.976
  741    H    GLN 100           HN       GLN 100  12.161  -4.996   6.241
  742    HA   GLN 100           HA       GLN 100  13.578  -6.167   8.534
  743    HB2  GLN 100           HB2      GLN 100  10.636  -6.331   7.925
  744    HB3  GLN 100           HB1      GLN 100  11.445  -7.117   9.270
  745    HG2  GLN 100           HG2      GLN 100  11.605  -4.168   8.912
  746    HG3  GLN 100           HG1      GLN 100  10.203  -4.912   9.646
  747   HE21  GLN 100          HE21      GLN 100  10.602  -3.925  11.635
  748   HE22  GLN 100          HE22      GLN 100  11.897  -4.425  12.666
  749    H    SER 101           HN       SER 101  14.271  -6.586   5.875
  750    HA   SER 101           HA       SER 101  13.378  -9.342   5.420
  751    HB2  SER 101           HB2      SER 101  13.482  -8.719   2.919
  752    HB3  SER 101           HB1      SER 101  12.096  -8.152   3.851
  753    HG   SER 101           HG       SER 101  12.652  -6.262   3.152
  754    H    HIS 102           HN       HIS 102  14.851  -9.937   3.202
  755    HA   HIS 102           HA       HIS 102  17.577  -9.706   4.245
  756    HB2  HIS 102           HB2      HIS 102  17.993 -11.835   2.887
  757    HB3  HIS 102           HB1      HIS 102  17.054 -11.987   4.350
  758    HD1  HIS 102           HD1      HIS 102  17.024 -12.991   0.915
  759    HD2  HIS 102           HD2      HIS 102  14.150 -11.944   3.717
  760    HE1  HIS 102           HE1      HIS 102  14.863 -13.947   0.049
  761    HE2  HIS 102           HE2      HIS 102  13.114 -13.217   1.709
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   8.120  -1.487 -16.625
    2    H2   GLY   1           HT2      GLY   1   6.599  -2.222 -16.547
    3    H3   GLY   1           HT3      GLY   1   7.373  -2.045 -18.036
    4    HA2  GLY   1           HA1      GLY   1   7.524  -4.322 -17.248
    5    HA3  GLY   1           HA2      GLY   1   9.106  -3.565 -17.380
    6    H    ALA   2           HN       ALA   2  10.390  -3.588 -15.657
    7    HA   ALA   2           HA       ALA   2  11.187  -3.930 -13.571
    8    HB1  ALA   2           HB1      ALA   2   9.821  -1.959 -13.065
    9    HB2  ALA   2           HB2      ALA   2   9.917  -3.065 -11.694
   10    HB3  ALA   2           HB3      ALA   2   8.458  -3.010 -12.682
   11    H    ALA   3           HN       ALA   3  11.434  -6.157 -13.801
   12    HA   ALA   3           HA       ALA   3   9.481  -8.091 -13.232
   13    HB1  ALA   3           HB1      ALA   3  12.468  -8.261 -12.811
   14    HB2  ALA   3           HB2      ALA   3  11.615  -8.632 -14.310
   15    HB3  ALA   3           HB3      ALA   3  11.355  -9.626 -12.878
   16    H    SER   4           HN       SER   4  12.002  -6.688 -11.160
   17    HA   SER   4           HA       SER   4  10.306  -7.292  -8.839
   18    HB2  SER   4           HB2      SER   4  12.581  -8.217  -8.650
   19    HB3  SER   4           HB1      SER   4  13.252  -6.607  -8.904
   20    HG   SER   4           HG       SER   4  12.440  -7.715  -6.625
   21    H    ALA   5           HN       ALA   5   8.993  -5.599  -8.504
   22    HA   ALA   5           HA       ALA   5  10.003  -2.913  -8.981
   23    HB1  ALA   5           HB1      ALA   5   7.287  -3.795  -8.015
   24    HB2  ALA   5           HB2      ALA   5   7.726  -3.459  -9.689
   25    HB3  ALA   5           HB3      ALA   5   7.743  -2.162  -8.496
   26    H    ALA   6           HN       ALA   6  10.528  -5.004  -6.638
   27    HA   ALA   6           HA       ALA   6  10.070  -3.295  -4.339
   28    HB1  ALA   6           HB1      ALA   6  11.480  -5.941  -4.682
   29    HB2  ALA   6           HB2      ALA   6   9.901  -5.643  -3.945
   30    HB3  ALA   6           HB3      ALA   6  11.366  -5.079  -3.146
   31    H    THR   7           HN       THR   7  12.448  -3.963  -6.690
   32    HA   THR   7           HA       THR   7  14.492  -2.510  -5.212
   33    HB   THR   7           HB       THR   7  15.285  -4.492  -6.327
   34    HG1  THR   7           HG1      THR   7  16.730  -2.724  -6.307
   35   HG21  THR   7          HG21      THR   7  13.631  -4.690  -8.093
   36   HG22  THR   7          HG22      THR   7  15.258  -4.710  -8.776
   37   HG23  THR   7          HG23      THR   7  14.277  -3.249  -8.881
   38    H    ASP   8           HN       ASP   8  11.907  -1.931  -7.279
   39    HA   ASP   8           HA       ASP   8  13.018   0.536  -8.350
   40    HB2  ASP   8           HB2      ASP   8  10.762  -1.191  -8.997
   41    HB3  ASP   8           HB1      ASP   8  10.313   0.505  -8.867
   42    H    LEU   9           HN       LEU   9  10.812  -0.783  -6.032
   43    HA   LEU   9           HA       LEU   9   9.541   1.652  -5.350
   44    HB2  LEU   9           HB2      LEU   9   8.449  -0.359  -4.719
   45    HB3  LEU   9           HB1      LEU   9   9.858  -0.956  -3.877
   46    HG   LEU   9           HG       LEU   9   9.644   0.979  -2.298
   47   HD11  LEU   9          HD11      LEU   9   7.541   2.150  -2.179
   48   HD12  LEU   9          HD12      LEU   9   6.905   1.225  -3.542
   49   HD13  LEU   9          HD13      LEU   9   8.244   2.370  -3.791
   50   HD21  LEU   9          HD21      LEU   9   8.975  -1.282  -1.756
   51   HD22  LEU   9          HD22      LEU   9   7.368  -0.972  -2.398
   52   HD23  LEU   9          HD23      LEU   9   7.933  -0.094  -0.982
   53    H    ALA  10           HN       ALA  10  11.885  -0.366  -3.725
   54    HA   ALA  10           HA       ALA  10  12.826   1.421  -1.809
   55    HB1  ALA  10           HB1      ALA  10  13.438  -0.989  -1.967
   56    HB2  ALA  10           HB2      ALA  10  14.818   0.075  -1.695
   57    HB3  ALA  10           HB3      ALA  10  14.518  -0.587  -3.302
   58    H    ALA  11           HN       ALA  11  13.037   1.759  -5.171
   59    HA   ALA  11           HA       ALA  11  15.518   3.217  -5.234
   60    HB1  ALA  11           HB1      ALA  11  14.867   2.029  -7.211
   61    HB2  ALA  11           HB2      ALA  11  14.816   3.760  -7.554
   62    HB3  ALA  11           HB3      ALA  11  13.316   2.872  -7.256
   63    H    ARG  12           HN       ARG  12  12.008   3.945  -5.277
   64    HA   ARG  12           HA       ARG  12  12.251   6.749  -5.282
   65    HB2  ARG  12           HB2      ARG  12  10.169   4.818  -4.342
   66    HB3  ARG  12           HB1      ARG  12   9.955   6.533  -4.099
   67    HG2  ARG  12           HG2      ARG  12   8.760   6.041  -6.016
   68    HG3  ARG  12           HG1      ARG  12  10.274   6.717  -6.614
   69    HD2  ARG  12           HD2      ARG  12  11.108   4.611  -7.201
   70    HD3  ARG  12           HD1      ARG  12   9.884   3.790  -6.229
   71    HE   ARG  12           HE       ARG  12   8.362   5.027  -8.038
   72   HH11  ARG  12          HH11      ARG  12  11.297   3.177  -8.490
   73   HH12  ARG  12          HH12      ARG  12  10.873   2.640 -10.089
   74   HH21  ARG  12          HH21      ARG  12   7.798   4.333 -10.143
   75   HH22  ARG  12          HH22      ARG  12   8.893   3.323 -11.033
   76    H    LEU  13           HN       LEU  13  12.614   4.332  -2.892
   77    HA   LEU  13           HA       LEU  13  12.203   6.085  -0.626
   78    HB2  LEU  13           HB2      LEU  13  12.774   3.181  -0.993
   79    HB3  LEU  13           HB1      LEU  13  12.943   3.909   0.585
   80    HG   LEU  13           HG       LEU  13  10.609   4.333   0.752
   81   HD11  LEU  13          HD11      LEU  13   9.964   5.245  -1.258
   82   HD12  LEU  13          HD12      LEU  13   9.093   3.709  -1.185
   83   HD13  LEU  13          HD13      LEU  13  10.550   3.855  -2.183
   84   HD21  LEU  13          HD21      LEU  13   9.608   2.142   0.441
   85   HD22  LEU  13          HD22      LEU  13  11.226   2.014   1.128
   86   HD23  LEU  13          HD23      LEU  13  10.964   1.665  -0.580
   87    H    ASN  14           HN       ASN  14  14.784   4.178  -2.021
   88    HA   ASN  14           HA       ASN  14  16.909   4.873  -0.426
   89    HB2  ASN  14           HB2      ASN  14  16.486   3.980  -3.195
   90    HB3  ASN  14           HB1      ASN  14  18.054   4.748  -2.894
   91   HD21  ASN  14          HD21      ASN  14  17.312   1.957  -3.524
   92   HD22  ASN  14          HD22      ASN  14  17.979   1.000  -2.251
   93    H    GLY  15           HN       GLY  15  17.949   6.668   0.005
   94    HA2  GLY  15           HA2      GLY  15  19.002   8.719  -0.568
   95    HA3  GLY  15           HA1      GLY  15  17.883   8.884  -1.916
   96    H    LEU  16           HN       LEU  16  15.821   7.925   0.227
   97    HA   LEU  16           HA       LEU  16  15.220  10.664   1.077
   98    HB2  LEU  16           HB2      LEU  16  13.523   8.302   0.405
   99    HB3  LEU  16           HB1      LEU  16  12.897   9.525   1.480
  100    HG   LEU  16           HG       LEU  16  12.122   9.960  -0.749
  101   HD11  LEU  16          HD11      LEU  16  12.774  12.226  -0.923
  102   HD12  LEU  16          HD12      LEU  16  14.319  11.903  -0.139
  103   HD13  LEU  16          HD13      LEU  16  12.820  11.802   0.796
  104   HD21  LEU  16          HD21      LEU  16  13.667  10.454  -2.584
  105   HD22  LEU  16          HD22      LEU  16  13.866   8.800  -2.006
  106   HD23  LEU  16          HD23      LEU  16  15.033  10.040  -1.547
  107    H    SER  17           HN       SER  17  14.093  10.934   3.088
  108    HA   SER  17           HA       SER  17  15.265   9.435   5.258
  109    HB2  SER  17           HB2      SER  17  13.275  11.715   5.195
  110    HB3  SER  17           HB1      SER  17  14.045  11.085   6.644
  111    HG   SER  17           HG       SER  17  15.404  12.658   6.135
  112    HA   PRO  18           HA       PRO  18  12.342   6.353   6.103
  113    HB2  PRO  18           HB2      PRO  18  11.738   7.751   8.684
  114    HB3  PRO  18           HB1      PRO  18  12.087   6.041   8.389
  115    HG2  PRO  18           HG2      PRO  18  13.996   7.578   9.355
  116    HG3  PRO  18           HG1      PRO  18  14.375   6.448   8.040
  117    HD2  PRO  18           HD2      PRO  18  13.972   9.400   7.929
  118    HD3  PRO  18           HD1      PRO  18  15.141   8.384   7.062
  119    H    GLN  19           HN       GLN  19  11.023   9.439   7.305
  120    HA   GLN  19           HA       GLN  19   8.303   8.794   6.924
  121    HB2  GLN  19           HB2      GLN  19   9.121  10.658   8.335
  122    HB3  GLN  19           HB1      GLN  19   9.565  11.526   6.873
  123    HG2  GLN  19           HG2      GLN  19   7.500  12.418   7.469
  124    HG3  GLN  19           HG1      GLN  19   7.147  11.271   6.179
  125   HE21  GLN  19          HE21      GLN  19   6.016   9.410   6.624
  126   HE22  GLN  19          HE22      GLN  19   5.189   9.161   8.122
  127    H    GLN  20           HN       GLN  20  10.707  10.166   4.761
  128    HA   GLN  20           HA       GLN  20   8.832  10.970   2.752
  129    HB2  GLN  20           HB2      GLN  20  11.817  10.571   2.706
  130    HB3  GLN  20           HB1      GLN  20  10.899  11.185   1.331
  131    HG2  GLN  20           HG2      GLN  20  10.070  13.011   2.856
  132    HG3  GLN  20           HG1      GLN  20  11.243  12.434   4.026
  133   HE21  GLN  20          HE21      GLN  20  10.768  14.083   1.035
  134   HE22  GLN  20          HE22      GLN  20  12.383  14.685   0.875
  135    H    GLN  21           HN       GLN  21  11.024   8.275   3.244
  136    HA   GLN  21           HA       GLN  21  10.455   6.748   0.987
  137    HB2  GLN  21           HB2      GLN  21  11.087   5.912   3.829
  138    HB3  GLN  21           HB1      GLN  21  11.110   4.815   2.458
  139    HG2  GLN  21           HG2      GLN  21  12.911   5.985   1.456
  140    HG3  GLN  21           HG1      GLN  21  12.817   7.287   2.645
  141   HE21  GLN  21          HE21      GLN  21  13.849   4.035   2.012
  142   HE22  GLN  21          HE22      GLN  21  14.792   3.833   3.442
  143    H    GLN  22           HN       GLN  22   8.787   7.143   4.018
  144    HA   GLN  22           HA       GLN  22   6.817   5.148   3.615
  145    HB2  GLN  22           HB2      GLN  22   7.526   6.244   5.793
  146    HB3  GLN  22           HB1      GLN  22   6.528   7.592   5.298
  147    HG2  GLN  22           HG2      GLN  22   5.022   5.218   5.031
  148    HG3  GLN  22           HG1      GLN  22   5.784   5.244   6.615
  149   HE21  GLN  22          HE21      GLN  22   3.857   5.538   7.695
  150   HE22  GLN  22          HE22      GLN  22   2.987   7.033   7.650
  151    H    GLN  23           HN       GLN  23   6.890   8.651   3.086
  152    HA   GLN  23           HA       GLN  23   4.335   9.132   2.244
  153    HB2  GLN  23           HB2      GLN  23   6.905  10.267   1.289
  154    HB3  GLN  23           HB1      GLN  23   5.343  10.940   0.850
  155    HG2  GLN  23           HG2      GLN  23   4.844  11.412   3.140
  156    HG3  GLN  23           HG1      GLN  23   6.300  10.600   3.670
  157   HE21  GLN  23          HE21      GLN  23   5.378  13.365   4.060
  158   HE22  GLN  23          HE22      GLN  23   6.650  14.370   3.457
  159    H    THR  24           HN       THR  24   7.014   7.957   0.244
  160    HA   THR  24           HA       THR  24   5.710   7.975  -2.227
  161    HB   THR  24           HB       THR  24   7.917   6.361  -1.039
  162    HG1  THR  24           HG1      THR  24   8.114   8.575  -1.899
  163   HG21  THR  24          HG21      THR  24   6.929   5.981  -3.867
  164   HG22  THR  24          HG22      THR  24   6.580   4.860  -2.550
  165   HG23  THR  24          HG23      THR  24   8.251   5.125  -3.066
  166    H    LEU  25           HN       LEU  25   5.697   5.482   0.310
  167    HA   LEU  25           HA       LEU  25   3.892   3.747  -1.151
  168    HB2  LEU  25           HB2      LEU  25   4.477   3.909   1.791
  169    HB3  LEU  25           HB1      LEU  25   3.665   2.589   0.983
  170    HG   LEU  25           HG       LEU  25   6.456   3.314   0.203
  171   HD11  LEU  25          HD11      LEU  25   6.374   3.163   2.666
  172   HD12  LEU  25          HD12      LEU  25   7.322   1.868   1.927
  173   HD13  LEU  25          HD13      LEU  25   5.692   1.542   2.522
  174   HD21  LEU  25          HD21      LEU  25   5.268   1.703  -1.161
  175   HD22  LEU  25          HD22      LEU  25   4.853   0.758   0.268
  176   HD23  LEU  25          HD23      LEU  25   6.532   0.888  -0.243
  177    H    ALA  26           HN       ALA  26   3.738   6.133   1.394
  178    HA   ALA  26           HA       ALA  26   0.973   6.014   1.915
  179    HB1  ALA  26           HB1      ALA  26   1.379   7.809   3.351
  180    HB2  ALA  26           HB2      ALA  26   2.644   8.471   2.315
  181    HB3  ALA  26           HB3      ALA  26   2.960   7.013   3.260
  182    H    THR  27           HN       THR  27   2.332   6.762  -0.852
  183    HA   THR  27           HA       THR  27   0.244   8.650  -1.656
  184    HB   THR  27           HB       THR  27   3.106   8.307  -2.524
  185    HG1  THR  27           HG1      THR  27   2.446   9.865  -0.884
  186   HG21  THR  27          HG21      THR  27   0.977   9.740  -4.105
  187   HG22  THR  27          HG22      THR  27   1.810   8.253  -4.574
  188   HG23  THR  27          HG23      THR  27   2.711   9.767  -4.437
  189    H    LEU  28           HN       LEU  28   2.329   6.026  -2.604
  190    HA   LEU  28           HA       LEU  28   1.024   5.283  -4.961
  191    HB2  LEU  28           HB2      LEU  28   3.197   4.576  -4.889
  192    HB3  LEU  28           HB1      LEU  28   3.090   4.141  -3.199
  193    HG   LEU  28           HG       LEU  28   1.374   2.383  -4.150
  194   HD11  LEU  28          HD11      LEU  28   1.651   3.144  -6.454
  195   HD12  LEU  28          HD12      LEU  28   2.079   1.444  -6.242
  196   HD13  LEU  28          HD13      LEU  28   3.348   2.666  -6.389
  197   HD21  LEU  28          HD21      LEU  28   3.069   1.695  -2.748
  198   HD22  LEU  28          HD22      LEU  28   4.336   2.182  -3.887
  199   HD23  LEU  28          HD23      LEU  28   3.327   0.775  -4.242
  200    H    VAL  29           HN       VAL  29   0.929   4.136  -1.683
  201    HA   VAL  29           HA       VAL  29  -0.702   1.876  -2.173
  202    HB   VAL  29           HB       VAL  29  -0.077   3.427   0.331
  203   HG11  VAL  29          HG11      VAL  29  -1.588   0.820   0.156
  204   HG12  VAL  29          HG12      VAL  29  -2.323   2.387   0.491
  205   HG13  VAL  29          HG13      VAL  29  -1.156   1.698   1.625
  206   HG21  VAL  29          HG21      VAL  29   0.749   0.670  -0.562
  207   HG22  VAL  29          HG22      VAL  29   1.334   1.552   0.850
  208   HG23  VAL  29          HG23      VAL  29   1.717   2.128  -0.775
  209    H    ALA  30           HN       ALA  30  -1.289   5.206  -1.426
  210    HA   ALA  30           HA       ALA  30  -4.116   4.894  -1.097
  211    HB1  ALA  30           HB1      ALA  30  -2.364   7.298  -1.473
  212    HB2  ALA  30           HB2      ALA  30  -2.990   6.665   0.052
  213    HB3  ALA  30           HB3      ALA  30  -4.092   7.357  -1.141
  214    H    ALA  31           HN       ALA  31  -1.867   5.774  -3.575
  215    HA   ALA  31           HA       ALA  31  -3.639   6.486  -5.624
  216    HB1  ALA  31           HB1      ALA  31  -1.700   5.649  -7.091
  217    HB2  ALA  31           HB2      ALA  31  -0.869   5.298  -5.564
  218    HB3  ALA  31           HB3      ALA  31  -1.349   6.950  -5.952
  219    H    ALA  32           HN       ALA  32  -2.285   3.459  -4.545
  220    HA   ALA  32           HA       ALA  32  -3.520   1.650  -6.229
  221    HB1  ALA  32           HB1      ALA  32  -1.817   0.922  -4.778
  222    HB2  ALA  32           HB2      ALA  32  -3.287   0.121  -4.211
  223    HB3  ALA  32           HB3      ALA  32  -2.660   1.539  -3.359
  224    H    THR  33           HN       THR  33  -4.714   2.975  -3.102
  225    HA   THR  33           HA       THR  33  -7.198   1.521  -3.396
  226    HB   THR  33           HB       THR  33  -6.700   3.797  -1.474
  227    HG1  THR  33           HG1      THR  33  -5.034   2.177  -1.292
  228   HG21  THR  33          HG21      THR  33  -8.976   3.184  -1.475
  229   HG22  THR  33          HG22      THR  33  -8.281   2.321  -0.098
  230   HG23  THR  33          HG23      THR  33  -8.599   1.466  -1.611
  231    H    ALA  34           HN       ALA  34  -5.974   4.599  -4.360
  232    HA   ALA  34           HA       ALA  34  -8.447   5.835  -4.918
  233    HB1  ALA  34           HB1      ALA  34  -5.779   6.170  -6.309
  234    HB2  ALA  34           HB2      ALA  34  -6.328   7.070  -4.894
  235    HB3  ALA  34           HB3      ALA  34  -7.157   7.267  -6.441
  236    H    THR  35           HN       THR  35  -6.343   3.636  -6.627
  237    HA   THR  35           HA       THR  35  -7.693   3.500  -9.076
  238    HB   THR  35           HB       THR  35  -5.641   1.942  -7.632
  239    HG1  THR  35           HG1      THR  35  -5.853   3.499  -9.820
  240   HG21  THR  35          HG21      THR  35  -7.083   0.714  -9.968
  241   HG22  THR  35          HG22      THR  35  -7.307   0.240  -8.280
  242   HG23  THR  35          HG23      THR  35  -5.731   0.030  -9.058
  243    H    VAL  36           HN       VAL  36  -7.887   1.453  -6.161
  244    HA   VAL  36           HA       VAL  36  -9.541  -0.515  -7.203
  245    HB   VAL  36           HB       VAL  36 -10.164  -1.018  -4.849
  246   HG11  VAL  36          HG11      VAL  36  -7.771  -1.371  -4.056
  247   HG12  VAL  36          HG12      VAL  36  -7.315  -0.715  -5.632
  248   HG13  VAL  36          HG13      VAL  36  -8.310  -2.174  -5.526
  249   HG21  VAL  36          HG21      VAL  36  -8.744   0.268  -3.151
  250   HG22  VAL  36          HG22      VAL  36 -10.300   0.901  -3.677
  251   HG23  VAL  36          HG23      VAL  36  -8.810   1.550  -4.361
  252    H    LEU  37           HN       LEU  37 -10.384   2.602  -5.813
  253    HA   LEU  37           HA       LEU  37 -13.216   1.918  -5.823
  254    HB2  LEU  37           HB2      LEU  37 -11.969   4.551  -5.101
  255    HB3  LEU  37           HB1      LEU  37 -13.539   3.939  -4.626
  256    HG   LEU  37           HG       LEU  37 -10.929   2.719  -3.756
  257   HD11  LEU  37          HD11      LEU  37 -12.714   4.653  -2.304
  258   HD12  LEU  37          HD12      LEU  37 -11.100   4.982  -2.935
  259   HD13  LEU  37          HD13      LEU  37 -11.314   3.824  -1.623
  260   HD21  LEU  37          HD21      LEU  37 -12.301   1.579  -2.098
  261   HD22  LEU  37          HD22      LEU  37 -12.854   1.209  -3.731
  262   HD23  LEU  37          HD23      LEU  37 -13.744   2.366  -2.744
  263    H    GLY  38           HN       GLY  38 -11.340   2.581  -8.271
  264    HA2  GLY  38           HA2      GLY  38 -11.814   3.332 -10.395
  265    HA3  GLY  38           HA1      GLY  38 -13.439   3.703  -9.846
  266    H    HIS  39           HN       HIS  39 -10.643   5.038  -8.275
  267    HA   HIS  39           HA       HIS  39 -11.152   7.640  -9.568
  268    HB2  HIS  39           HB2      HIS  39 -10.412   7.024  -6.697
  269    HB3  HIS  39           HB1      HIS  39 -10.239   8.628  -7.395
  270    HD1  HIS  39           HD1      HIS  39 -12.255  10.103  -7.317
  271    HD2  HIS  39           HD2      HIS  39 -13.189   6.111  -6.627
  272    HE1  HIS  39           HE1      HIS  39 -14.679  10.081  -6.668
  273    HE2  HIS  39           HE2      HIS  39 -15.264   7.644  -6.432
  274    H    HIS  40           HN       HIS  40  -8.975   9.038  -8.820
  275    HA   HIS  40           HA       HIS  40  -6.625   7.355  -9.214
  276    HB2  HIS  40           HB2      HIS  40  -7.460   8.152 -11.469
  277    HB3  HIS  40           HB1      HIS  40  -7.097   9.791 -10.942
  278    HD1  HIS  40           HD1      HIS  40  -4.880  10.587 -11.687
  279    HD2  HIS  40           HD2      HIS  40  -4.964   6.456 -11.225
  280    HE1  HIS  40           HE1      HIS  40  -2.608   9.779 -12.393
  281    HE2  HIS  40           HE2      HIS  40  -2.741   7.269 -12.265
  282    H    THR  41           HN       THR  41  -8.075   9.515  -7.355
  283    HA   THR  41           HA       THR  41  -5.707  11.162  -6.883
  284    HB   THR  41           HB       THR  41  -7.273  12.247  -5.170
  285    HG1  THR  41           HG1      THR  41  -9.405  11.662  -6.828
  286   HG21  THR  41          HG21      THR  41  -8.232  13.720  -6.924
  287   HG22  THR  41          HG22      THR  41  -7.627  12.588  -8.137
  288   HG23  THR  41          HG23      THR  41  -6.498  13.439  -7.079
  289    HA   PRO  42           HA       PRO  42  -4.894   8.616  -3.252
  290    HB2  PRO  42           HB2      PRO  42  -2.383  10.074  -3.186
  291    HB3  PRO  42           HB1      PRO  42  -2.652   8.357  -3.492
  292    HG2  PRO  42           HG2      PRO  42  -1.783  10.083  -5.410
  293    HG3  PRO  42           HG1      PRO  42  -2.749   8.636  -5.760
  294    HD2  PRO  42           HD2      PRO  42  -3.645  11.496  -5.556
  295    HD3  PRO  42           HD1      PRO  42  -4.113  10.248  -6.729
  296    H    GLU  43           HN       GLU  43  -5.022  11.953  -3.890
  297    HA   GLU  43           HA       GLU  43  -4.545  12.967  -1.284
  298    HB2  GLU  43           HB2      GLU  43  -6.064  14.176  -3.587
  299    HB3  GLU  43           HB1      GLU  43  -5.509  15.046  -2.161
  300    HG2  GLU  43           HG2      GLU  43  -3.219  14.611  -2.757
  301    HG3  GLU  43           HG1      GLU  43  -3.758  13.613  -4.105
  302    H    SER  44           HN       SER  44  -7.338  11.899  -3.080
  303    HA   SER  44           HA       SER  44  -9.246  12.709  -1.094
  304    HB2  SER  44           HB2      SER  44  -9.694  12.509  -3.594
  305    HB3  SER  44           HB1      SER  44  -9.688  10.769  -3.347
  306    HG   SER  44           HG       SER  44 -11.450  12.676  -2.217
  307    H    ILE  45           HN       ILE  45  -7.194  10.072  -1.663
  308    HA   ILE  45           HA       ILE  45  -8.659   8.174  -0.047
  309    HB   ILE  45           HB       ILE  45  -5.852   8.001  -1.136
  310   HG12  ILE  45          HG12      ILE  45  -7.444   8.244  -2.949
  311   HG13  ILE  45          HG11      ILE  45  -6.834   6.598  -2.899
  312   HG21  ILE  45          HG21      ILE  45  -5.915   5.678  -0.686
  313   HG22  ILE  45          HG22      ILE  45  -7.632   5.736  -0.278
  314   HG23  ILE  45          HG23      ILE  45  -6.447   6.488   0.793
  315   HD11  ILE  45          HD11      ILE  45  -8.883   5.837  -1.868
  316   HD12  ILE  45          HD12      ILE  45  -9.219   6.696  -3.373
  317   HD13  ILE  45          HD13      ILE  45  -9.494   7.492  -1.825
  318    H    SER  46           HN       SER  46  -8.775   9.346   1.923
  319    HA   SER  46           HA       SER  46  -6.498  10.313   3.293
  320    HB2  SER  46           HB2      SER  46  -9.022  10.809   3.712
  321    HB3  SER  46           HB1      SER  46  -8.963   9.347   4.690
  322    HG   SER  46           HG       SER  46  -7.894  11.844   5.174
  323    HA   PRO  47           HA       PRO  47  -4.834   6.464   4.490
  324    HB2  PRO  47           HB2      PRO  47  -2.911   7.261   6.114
  325    HB3  PRO  47           HB1      PRO  47  -2.949   7.874   4.461
  326    HG2  PRO  47           HG2      PRO  47  -3.774   9.215   6.991
  327    HG3  PRO  47           HG1      PRO  47  -2.957   9.898   5.580
  328    HD2  PRO  47           HD2      PRO  47  -5.722   9.992   6.142
  329    HD3  PRO  47           HD1      PRO  47  -4.946  10.413   4.592
  330    H    ALA  48           HN       ALA  48  -6.757   8.186   6.482
  331    HA   ALA  48           HA       ALA  48  -6.414   6.324   8.692
  332    HB1  ALA  48           HB1      ALA  48  -7.063   9.230   8.986
  333    HB2  ALA  48           HB2      ALA  48  -5.424   8.580   9.034
  334    HB3  ALA  48           HB3      ALA  48  -6.609   8.087  10.255
  335    H    THR  49           HN       THR  49  -8.394   7.182   6.306
  336    HA   THR  49           HA       THR  49 -10.936   7.365   7.505
  337    HB   THR  49           HB       THR  49  -9.969   6.525   4.778
  338    HG1  THR  49           HG1      THR  49 -10.930   8.558   4.214
  339   HG21  THR  49          HG21      THR  49 -12.820   6.847   5.677
  340   HG22  THR  49          HG22      THR  49 -12.023   5.338   5.231
  341   HG23  THR  49          HG23      THR  49 -12.281   6.594   4.016
  342    H    ALA  50           HN       ALA  50  -9.100   4.738   6.123
  343    HA   ALA  50           HA       ALA  50  -8.934   2.525   6.837
  344    HB1  ALA  50           HB1      ALA  50 -11.819   2.691   7.693
  345    HB2  ALA  50           HB2      ALA  50 -10.429   2.802   8.779
  346    HB3  ALA  50           HB3      ALA  50 -10.730   1.313   7.882
  347    H    PHE  51           HN       PHE  51  -9.042   0.969   5.445
  348    HA   PHE  51           HA       PHE  51 -10.022   1.256   2.880
  349    HB2  PHE  51           HB2      PHE  51  -9.455  -1.233   4.468
  350    HB3  PHE  51           HB1      PHE  51  -9.752  -1.240   2.725
  351    HD1  PHE  51           HD1      PHE  51  -8.403   0.923   1.654
  352    HD2  PHE  51           HD2      PHE  51  -7.269  -1.491   4.946
  353    HE1  PHE  51           HE1      PHE  51  -6.060   1.412   1.191
  354    HE2  PHE  51           HE2      PHE  51  -4.904  -0.992   4.517
  355    HZ   PHE  51           HZ       PHE  51  -4.321   0.680   2.780
  356    H    LYS  52           HN       LYS  52 -11.513  -0.476   5.568
  357    HA   LYS  52           HA       LYS  52 -13.807  -1.382   4.404
  358    HB2  LYS  52           HB2      LYS  52 -13.499  -0.048   7.105
  359    HB3  LYS  52           HB1      LYS  52 -14.858  -1.058   6.633
  360    HG2  LYS  52           HG2      LYS  52 -13.290  -2.949   6.365
  361    HG3  LYS  52           HG1      LYS  52 -11.983  -1.911   6.923
  362    HD2  LYS  52           HD2      LYS  52 -14.446  -2.645   8.485
  363    HD3  LYS  52           HD1      LYS  52 -12.840  -3.329   8.729
  364    HE2  LYS  52           HE2      LYS  52 -12.015  -1.059   9.267
  365    HE3  LYS  52           HE1      LYS  52 -13.663  -0.461   9.093
  366    HZ1  LYS  52           HZ1      LYS  52 -13.041  -0.879  11.412
  367    HZ2  LYS  52           HZ2      LYS  52 -12.828  -2.517  11.059
  368    HZ3  LYS  52           HZ3      LYS  52 -14.360  -1.814  10.924
  369    H    ASP  53           HN       ASP  53 -13.076   1.804   5.680
  370    HA   ASP  53           HA       ASP  53 -15.702   2.830   5.186
  371    HB2  ASP  53           HB2      ASP  53 -13.145   4.016   6.261
  372    HB3  ASP  53           HB1      ASP  53 -14.558   5.019   5.921
  373    H    LEU  54           HN       LEU  54 -12.909   2.432   3.390
  374    HA   LEU  54           HA       LEU  54 -13.194   4.763   1.698
  375    HB2  LEU  54           HB2      LEU  54 -11.302   2.460   1.869
  376    HB3  LEU  54           HB1      LEU  54 -11.340   3.419   0.409
  377    HG   LEU  54           HG       LEU  54 -10.926   4.640   3.132
  378   HD11  LEU  54          HD11      LEU  54  -9.174   3.015   2.839
  379   HD12  LEU  54          HD12      LEU  54  -8.526   4.640   2.614
  380   HD13  LEU  54          HD13      LEU  54  -8.849   3.619   1.214
  381   HD21  LEU  54          HD21      LEU  54 -11.588   6.163   1.376
  382   HD22  LEU  54          HD22      LEU  54 -10.309   5.544   0.333
  383   HD23  LEU  54          HD23      LEU  54  -9.896   6.426   1.802
  384    H    GLY  55           HN       GLY  55 -14.054   1.405   1.730
  385    HA2  GLY  55           HA2      GLY  55 -15.962   0.908   0.204
  386    HA3  GLY  55           HA1      GLY  55 -14.992   1.649  -1.061
  387    H    ILE  56           HN       ILE  56 -12.942   0.082   0.978
  388    HA   ILE  56           HA       ILE  56 -12.345  -2.007  -0.837
  389    HB   ILE  56           HB       ILE  56 -11.505  -1.438   1.988
  390   HG12  ILE  56          HG12      ILE  56 -10.100  -0.154   0.809
  391   HG13  ILE  56          HG11      ILE  56  -9.225  -1.658   0.627
  392   HG21  ILE  56          HG21      ILE  56 -11.374  -3.645   2.245
  393   HG22  ILE  56          HG22      ILE  56  -9.829  -3.384   1.420
  394   HG23  ILE  56          HG23      ILE  56 -11.231  -3.951   0.514
  395   HD11  ILE  56          HD11      ILE  56 -10.379  -1.998  -1.541
  396   HD12  ILE  56          HD12      ILE  56  -9.303  -0.604  -1.478
  397   HD13  ILE  56          HD13      ILE  56 -11.047  -0.367  -1.369
  398    H    ASP  57           HN       ASP  57 -13.246  -3.962  -1.037
  399    HA   ASP  57           HA       ASP  57 -14.539  -5.251   1.199
  400    HB2  ASP  57           HB2      ASP  57 -16.295  -3.709   0.204
  401    HB3  ASP  57           HB1      ASP  57 -16.229  -4.707  -1.245
  402    H    SER  58           HN       SER  58 -12.745  -6.632   0.693
  403    HA   SER  58           HA       SER  58 -12.003  -8.663   0.022
  404    HB2  SER  58           HB2      SER  58 -14.541  -8.958  -1.518
  405    HB3  SER  58           HB1      SER  58 -13.476 -10.250  -0.998
  406    HG   SER  58           HG       SER  58 -14.253  -8.709   1.092
  407    H    LEU  59           HN       LEU  59 -13.828  -7.617  -2.827
  408    HA   LEU  59           HA       LEU  59 -11.996  -8.557  -4.734
  409    HB2  LEU  59           HB2      LEU  59 -14.029  -6.337  -4.870
  410    HB3  LEU  59           HB1      LEU  59 -13.119  -6.887  -6.251
  411    HG   LEU  59           HG       LEU  59 -14.190  -9.064  -6.158
  412   HD11  LEU  59          HD11      LEU  59 -15.996  -9.539  -4.606
  413   HD12  LEU  59          HD12      LEU  59 -15.718  -7.998  -3.794
  414   HD13  LEU  59          HD13      LEU  59 -14.484  -9.257  -3.744
  415   HD21  LEU  59          HD21      LEU  59 -16.471  -8.345  -6.693
  416   HD22  LEU  59          HD22      LEU  59 -15.257  -7.292  -7.420
  417   HD23  LEU  59          HD23      LEU  59 -16.127  -6.771  -5.978
  418    H    THR  60           HN       THR  60 -12.546  -5.316  -3.462
  419    HA   THR  60           HA       THR  60 -10.353  -4.264  -4.996
  420    HB   THR  60           HB       THR  60 -10.948  -2.174  -3.545
  421    HG1  THR  60           HG1      THR  60 -13.471  -2.629  -3.302
  422   HG21  THR  60          HG21      THR  60 -12.835  -3.272  -5.633
  423   HG22  THR  60          HG22      THR  60 -11.301  -2.463  -5.969
  424   HG23  THR  60          HG23      THR  60 -12.625  -1.572  -5.202
  425    H    ALA  61           HN       ALA  61 -10.764  -5.772  -2.025
  426    HA   ALA  61           HA       ALA  61  -8.452  -4.577  -0.771
  427    HB1  ALA  61           HB1      ALA  61  -8.713  -6.253   0.943
  428    HB2  ALA  61           HB2      ALA  61  -9.861  -7.149  -0.058
  429    HB3  ALA  61           HB3      ALA  61 -10.291  -5.554   0.563
  430    H    LEU  62           HN       LEU  62  -9.247  -7.486  -2.626
  431    HA   LEU  62           HA       LEU  62  -6.601  -8.500  -2.620
  432    HB2  LEU  62           HB2      LEU  62  -8.955  -9.577  -3.210
  433    HB3  LEU  62           HB1      LEU  62  -8.516  -9.055  -4.816
  434    HG   LEU  62           HG       LEU  62  -7.696 -11.166  -4.920
  435   HD11  LEU  62          HD11      LEU  62  -5.418  -9.814  -3.493
  436   HD12  LEU  62          HD12      LEU  62  -5.762  -9.745  -5.222
  437   HD13  LEU  62          HD13      LEU  62  -5.310 -11.278  -4.476
  438   HD21  LEU  62          HD21      LEU  62  -7.096 -11.042  -1.970
  439   HD22  LEU  62          HD22      LEU  62  -6.882 -12.453  -3.006
  440   HD23  LEU  62          HD23      LEU  62  -8.497 -11.808  -2.717
  441    H    GLU  63           HN       GLU  63  -8.526  -6.514  -4.917
  442    HA   GLU  63           HA       GLU  63  -6.514  -6.278  -6.841
  443    HB2  GLU  63           HB2      GLU  63  -8.637  -5.718  -7.566
  444    HB3  GLU  63           HB1      GLU  63  -9.035  -4.883  -6.075
  445    HG2  GLU  63           HG2      GLU  63  -8.897  -3.231  -7.705
  446    HG3  GLU  63           HG1      GLU  63  -7.417  -3.149  -6.751
  447    H    LEU  64           HN       LEU  64  -7.272  -4.474  -3.874
  448    HA   LEU  64           HA       LEU  64  -5.319  -2.485  -4.066
  449    HB2  LEU  64           HB2      LEU  64  -7.033  -3.466  -2.048
  450    HB3  LEU  64           HB1      LEU  64  -5.398  -3.650  -1.425
  451    HG   LEU  64           HG       LEU  64  -6.678  -1.080  -2.342
  452   HD11  LEU  64          HD11      LEU  64  -6.042  -2.288   0.321
  453   HD12  LEU  64          HD12      LEU  64  -7.527  -1.490  -0.215
  454   HD13  LEU  64          HD13      LEU  64  -6.075  -0.536   0.123
  455   HD21  LEU  64          HD21      LEU  64  -3.909  -1.605  -1.287
  456   HD22  LEU  64          HD22      LEU  64  -4.597  -0.018  -1.643
  457   HD23  LEU  64          HD23      LEU  64  -4.313  -1.174  -2.947
  458    H    ARG  65           HN       ARG  65  -5.284  -5.732  -2.937
  459    HA   ARG  65           HA       ARG  65  -2.646  -5.938  -2.021
  460    HB2  ARG  65           HB2      ARG  65  -4.288  -7.566  -1.368
  461    HB3  ARG  65           HB1      ARG  65  -4.591  -8.018  -3.038
  462    HG2  ARG  65           HG2      ARG  65  -1.870  -8.431  -1.860
  463    HG3  ARG  65           HG1      ARG  65  -3.174  -9.552  -1.472
  464    HD2  ARG  65           HD2      ARG  65  -3.516  -9.660  -4.039
  465    HD3  ARG  65           HD1      ARG  65  -1.893  -8.982  -4.123
  466    HE   ARG  65           HE       ARG  65  -1.492 -11.062  -2.511
  467   HH11  ARG  65          HH11      ARG  65  -3.177 -10.820  -5.575
  468   HH12  ARG  65          HH12      ARG  65  -2.936 -12.488  -5.982
  469   HH21  ARG  65          HH21      ARG  65  -1.146 -13.262  -3.066
  470   HH22  ARG  65          HH22      ARG  65  -1.796 -13.876  -4.556
  471    H    ASN  66           HN       ASN  66  -4.121  -6.864  -5.039
  472    HA   ASN  66           HA       ASN  66  -1.906  -7.772  -6.420
  473    HB2  ASN  66           HB2      ASN  66  -4.545  -6.607  -7.240
  474    HB3  ASN  66           HB1      ASN  66  -3.366  -7.067  -8.457
  475   HD21  ASN  66          HD21      ASN  66  -6.044  -8.199  -7.720
  476   HD22  ASN  66          HD22      ASN  66  -5.742  -9.880  -7.459
  477    H    THR  67           HN       THR  67  -3.142  -4.451  -6.108
  478    HA   THR  67           HA       THR  67  -1.193  -3.374  -7.895
  479    HB   THR  67           HB       THR  67  -2.752  -1.968  -5.741
  480    HG1  THR  67           HG1      THR  67  -4.156  -2.861  -7.277
  481   HG21  THR  67          HG21      THR  67  -1.264  -0.881  -8.134
  482   HG22  THR  67          HG22      THR  67  -0.797  -0.685  -6.443
  483   HG23  THR  67          HG23      THR  67  -2.276   0.067  -7.044
  484    H    LEU  68           HN       LEU  68  -1.501  -3.377  -4.357
  485    HA   LEU  68           HA       LEU  68   0.759  -2.012  -3.636
  486    HB2  LEU  68           HB2      LEU  68  -0.222  -4.537  -2.310
  487    HB3  LEU  68           HB1      LEU  68   0.770  -3.303  -1.574
  488    HG   LEU  68           HG       LEU  68  -2.035  -2.806  -2.530
  489   HD11  LEU  68          HD11      LEU  68  -2.806  -3.223  -0.348
  490   HD12  LEU  68          HD12      LEU  68  -1.170  -3.314   0.301
  491   HD13  LEU  68          HD13      LEU  68  -1.774  -4.594  -0.750
  492   HD21  LEU  68          HD21      LEU  68  -0.251  -1.290  -0.628
  493   HD22  LEU  68          HD22      LEU  68  -1.889  -0.846  -1.108
  494   HD23  LEU  68          HD23      LEU  68  -0.587  -0.830  -2.296
  495    H    THR  69           HN       THR  69   0.526  -5.541  -3.977
  496    HA   THR  69           HA       THR  69   3.237  -5.977  -3.385
  497    HB   THR  69           HB       THR  69   1.421  -7.683  -3.165
  498    HG1  THR  69           HG1      THR  69   3.598  -8.543  -4.797
  499   HG21  THR  69          HG21      THR  69   0.745  -8.981  -5.097
  500   HG22  THR  69          HG22      THR  69   1.767  -8.003  -6.150
  501   HG23  THR  69          HG23      THR  69   0.357  -7.282  -5.370
  502    H    HIS  70           HN       HIS  70   1.594  -5.202  -6.357
  503    HA   HIS  70           HA       HIS  70   3.681  -6.043  -8.084
  504    HB2  HIS  70           HB2      HIS  70   1.333  -5.671  -8.840
  505    HB3  HIS  70           HB1      HIS  70   1.538  -3.953  -8.542
  506    HD1  HIS  70           HD1      HIS  70   2.437  -6.650 -10.964
  507    HD2  HIS  70           HD2      HIS  70   3.052  -2.571 -10.447
  508    HE1  HIS  70           HE1      HIS  70   3.370  -5.825 -13.148
  509    HE2  HIS  70           HE2      HIS  70   3.561  -3.328 -12.867
  510    H    ASN  71           HN       ASN  71   2.837  -3.011  -6.515
  511    HA   ASN  71           HA       ASN  71   4.986  -1.597  -7.792
  512    HB2  ASN  71           HB2      ASN  71   3.031  -0.795  -5.672
  513    HB3  ASN  71           HB1      ASN  71   4.267   0.281  -6.318
  514   HD21  ASN  71          HD21      ASN  71   1.362  -1.451  -6.979
  515   HD22  ASN  71          HD22      ASN  71   0.936  -0.603  -8.415
  516    H    THR  72           HN       THR  72   4.709  -3.487  -4.960
  517    HA   THR  72           HA       THR  72   7.104  -2.208  -3.859
  518    HB   THR  72           HB       THR  72   6.424  -3.173  -1.692
  519    HG1  THR  72           HG1      THR  72   3.914  -3.754  -2.882
  520   HG21  THR  72          HG21      THR  72   4.886  -1.480  -1.217
  521   HG22  THR  72          HG22      THR  72   4.048  -1.679  -2.755
  522   HG23  THR  72          HG23      THR  72   5.618  -0.874  -2.708
  523    H    GLY  73           HN       GLY  73   5.860  -5.083  -5.253
  524    HA2  GLY  73           HA2      GLY  73   7.228  -6.737  -6.155
  525    HA3  GLY  73           HA1      GLY  73   8.573  -6.016  -5.292
  526    H    LEU  74           HN       LEU  74   6.007  -6.486  -3.297
  527    HA   LEU  74           HA       LEU  74   7.474  -8.364  -1.753
  528    HB2  LEU  74           HB2      LEU  74   5.724  -6.364  -1.243
  529    HB3  LEU  74           HB1      LEU  74   4.715  -7.766  -0.975
  530    HG   LEU  74           HG       LEU  74   6.498  -8.657   0.548
  531   HD11  LEU  74          HD11      LEU  74   8.311  -7.311   1.188
  532   HD12  LEU  74          HD12      LEU  74   7.589  -5.862   0.492
  533   HD13  LEU  74          HD13      LEU  74   8.226  -7.117  -0.571
  534   HD21  LEU  74          HD21      LEU  74   5.446  -5.964   1.378
  535   HD22  LEU  74          HD22      LEU  74   5.828  -7.338   2.413
  536   HD23  LEU  74          HD23      LEU  74   4.452  -7.417   1.313
  537    H    ASP  75           HN       ASP  75   5.688  -9.848  -0.516
  538    HA   ASP  75           HA       ASP  75   5.786 -12.073  -2.347
  539    HB2  ASP  75           HB2      ASP  75   6.926 -12.226  -0.264
  540    HB3  ASP  75           HB1      ASP  75   5.499 -11.741   0.621
  541    H    LEU  76           HN       LEU  76   3.720 -10.114  -2.546
  542    HA   LEU  76           HA       LEU  76   1.414  -9.802  -2.574
  543    HB2  LEU  76           HB2      LEU  76   0.431 -11.329  -4.281
  544    HB3  LEU  76           HB1      LEU  76   1.913 -10.528  -4.751
  545    HG   LEU  76           HG       LEU  76   2.084 -13.306  -3.670
  546   HD11  LEU  76          HD11      LEU  76   0.258 -13.407  -5.290
  547   HD12  LEU  76          HD12      LEU  76   1.703 -14.206  -5.910
  548   HD13  LEU  76          HD13      LEU  76   1.270 -12.597  -6.486
  549   HD21  LEU  76          HD21      LEU  76   3.563 -11.811  -5.835
  550   HD22  LEU  76          HD22      LEU  76   3.942 -13.430  -5.249
  551   HD23  LEU  76          HD23      LEU  76   4.122 -12.039  -4.179
  552    HA   PRO  77           HA       PRO  77  -0.391 -12.857   0.297
  553    HB2  PRO  77           HB2      PRO  77  -0.211 -11.496   2.613
  554    HB3  PRO  77           HB1      PRO  77   1.135 -12.444   1.976
  555    HG2  PRO  77           HG2      PRO  77   0.839  -9.531   2.166
  556    HG3  PRO  77           HG1      PRO  77   2.305 -10.496   1.943
  557    HD2  PRO  77           HD2      PRO  77   0.713  -9.104  -0.052
  558    HD3  PRO  77           HD1      PRO  77   2.287  -9.903  -0.243
  559    HA   PRO  78           HA       PRO  78  -4.290 -10.463   0.385
  560    HB2  PRO  78           HB2      PRO  78  -5.886 -12.534   1.056
  561    HB3  PRO  78           HB1      PRO  78  -5.305 -12.312  -0.597
  562    HG2  PRO  78           HG2      PRO  78  -4.313 -14.166   1.530
  563    HG3  PRO  78           HG1      PRO  78  -4.526 -14.463  -0.204
  564    HD2  PRO  78           HD2      PRO  78  -2.113 -13.895   0.964
  565    HD3  PRO  78           HD1      PRO  78  -2.495 -13.545  -0.732
  566    H    THR  79           HN       THR  79  -6.179 -10.652   2.302
  567    HA   THR  79           HA       THR  79  -6.638 -10.114   4.356
  568    HB   THR  79           HB       THR  79  -5.746 -11.452   6.225
  569    HG1  THR  79           HG1      THR  79  -3.822 -12.095   4.384
  570   HG21  THR  79          HG21      THR  79  -6.697 -13.579   5.481
  571   HG22  THR  79          HG22      THR  79  -6.604 -13.034   3.806
  572   HG23  THR  79          HG23      THR  79  -7.670 -12.211   4.944
  573    H    LEU  80           HN       LEU  80  -4.188  -8.837   2.994
  574    HA   LEU  80           HA       LEU  80  -2.831  -7.816   5.314
  575    HB2  LEU  80           HB2      LEU  80  -1.855  -6.150   3.596
  576    HB3  LEU  80           HB1      LEU  80  -1.339  -7.819   3.585
  577    HG   LEU  80           HG       LEU  80  -2.832  -8.243   1.650
  578   HD11  LEU  80          HD11      LEU  80  -4.469  -6.458   2.062
  579   HD12  LEU  80          HD12      LEU  80  -3.802  -6.392   0.431
  580   HD13  LEU  80          HD13      LEU  80  -3.241  -5.259   1.660
  581   HD21  LEU  80          HD21      LEU  80  -0.864  -5.987   1.298
  582   HD22  LEU  80          HD22      LEU  80  -1.457  -7.051   0.023
  583   HD23  LEU  80          HD23      LEU  80  -0.477  -7.708   1.333
  584    H    ILE  81           HN       ILE  81  -5.618  -6.948   3.439
  585    HA   ILE  81           HA       ILE  81  -5.791  -4.290   4.568
  586    HB   ILE  81           HB       ILE  81  -8.121  -5.878   3.460
  587   HG12  ILE  81          HG12      ILE  81  -6.506  -5.762   1.681
  588   HG13  ILE  81          HG11      ILE  81  -7.721  -4.522   1.399
  589   HG21  ILE  81          HG21      ILE  81  -7.606  -2.934   3.693
  590   HG22  ILE  81          HG22      ILE  81  -8.688  -3.870   4.737
  591   HG23  ILE  81          HG23      ILE  81  -9.056  -3.679   3.017
  592   HD11  ILE  81          HD11      ILE  81  -5.360  -3.843   1.034
  593   HD12  ILE  81          HD12      ILE  81  -5.138  -3.984   2.780
  594   HD13  ILE  81          HD13      ILE  81  -6.300  -2.831   2.132
  595    H    PHE  82           HN       PHE  82  -7.025  -7.458   5.281
  596    HA   PHE  82           HA       PHE  82  -8.700  -6.798   7.417
  597    HB2  PHE  82           HB2      PHE  82  -7.235  -9.353   6.738
  598    HB3  PHE  82           HB1      PHE  82  -8.494  -9.224   7.957
  599    HD1  PHE  82           HD1      PHE  82 -10.705  -9.686   7.341
  600    HD2  PHE  82           HD2      PHE  82  -7.898  -8.496   4.366
  601    HE1  PHE  82           HE1      PHE  82 -12.391 -10.062   5.598
  602    HE2  PHE  82           HE2      PHE  82  -9.582  -8.877   2.623
  603    HZ   PHE  82           HZ       PHE  82 -11.889  -9.689   3.295
  604    H    ASP  83           HN       ASP  83  -5.241  -7.346   7.241
  605    HA   ASP  83           HA       ASP  83  -5.000  -7.214  10.150
  606    HB2  ASP  83           HB2      ASP  83  -3.629  -8.836   8.791
  607    HB3  ASP  83           HB1      ASP  83  -2.774  -7.453   8.122
  608    H    HIS  84           HN       HIS  84  -4.544  -5.275   7.315
  609    HA   HIS  84           HA       HIS  84  -3.654  -3.022   8.991
  610    HB2  HIS  84           HB2      HIS  84  -2.676  -3.817   6.243
  611    HB3  HIS  84           HB1      HIS  84  -2.406  -2.218   6.921
  612    HD1  HIS  84           HD1      HIS  84  -0.590  -2.004   8.744
  613    HD2  HIS  84           HD2      HIS  84  -1.210  -5.901   7.439
  614    HE1  HIS  84           HE1      HIS  84   1.340  -3.329   9.641
  615    HE2  HIS  84           HE2      HIS  84   0.829  -5.714   9.015
  616    HA   PRO  85           HA       PRO  85  -7.566  -2.188   6.948
  617    HB2  PRO  85           HB2      PRO  85  -8.805  -0.960   8.951
  618    HB3  PRO  85           HB1      PRO  85  -8.406  -2.680   9.047
  619    HG2  PRO  85           HG2      PRO  85  -7.015  -0.341  10.290
  620    HG3  PRO  85           HG1      PRO  85  -7.357  -1.936  10.982
  621    HD2  PRO  85           HD2      PRO  85  -4.938  -1.151   9.850
  622    HD3  PRO  85           HD1      PRO  85  -5.455  -2.828  10.111
  623    H    THR  86           HN       THR  86  -5.175   0.149   7.439
  624    HA   THR  86           HA       THR  86  -6.928   2.125   6.170
  625    HB   THR  86           HB       THR  86  -5.830   3.944   7.327
  626    HG1  THR  86           HG1      THR  86  -4.535   2.884   9.309
  627   HG21  THR  86          HG21      THR  86  -6.826   1.837   9.245
  628   HG22  THR  86          HG22      THR  86  -7.800   3.056   8.423
  629   HG23  THR  86          HG23      THR  86  -6.620   3.544   9.637
  630    HA   PRO  87           HA       PRO  87  -3.752   2.523   3.035
  631    HB2  PRO  87           HB2      PRO  87  -3.876   5.453   3.389
  632    HB3  PRO  87           HB1      PRO  87  -4.055   4.490   1.924
  633    HG2  PRO  87           HG2      PRO  87  -6.181   5.608   3.101
  634    HG3  PRO  87           HG1      PRO  87  -6.276   4.014   2.333
  635    HD2  PRO  87           HD2      PRO  87  -6.162   4.719   5.230
  636    HD3  PRO  87           HD1      PRO  87  -7.031   3.401   4.419
  637    H    HIS  88           HN       HIS  88  -3.535   4.544   5.896
  638    HA   HIS  88           HA       HIS  88  -0.766   4.922   6.008
  639    HB2  HIS  88           HB2      HIS  88  -2.321   6.066   7.516
  640    HB3  HIS  88           HB1      HIS  88  -2.787   4.534   8.230
  641    HD1  HIS  88           HD1      HIS  88   0.479   6.474   7.817
  642    HD2  HIS  88           HD2      HIS  88  -1.569   4.137  10.579
  643    HE1  HIS  88           HE1      HIS  88   1.936   6.410   9.864
  644    HE2  HIS  88           HE2      HIS  88   0.638   5.066  11.553
  645    H    ALA  89           HN       ALA  89  -2.798   2.394   7.391
  646    HA   ALA  89           HA       ALA  89  -0.887   0.778   8.567
  647    HB1  ALA  89           HB1      ALA  89  -3.382  -0.151   7.178
  648    HB2  ALA  89           HB2      ALA  89  -3.353   0.599   8.781
  649    HB3  ALA  89           HB3      ALA  89  -2.537  -0.945   8.513
  650    H    LEU  90           HN       LEU  90  -2.381   0.163   5.348
  651    HA   LEU  90           HA       LEU  90  -0.769  -1.899   4.529
  652    HB2  LEU  90           HB2      LEU  90  -2.176   0.292   3.095
  653    HB3  LEU  90           HB1      LEU  90  -1.128  -0.775   2.178
  654    HG   LEU  90           HG       LEU  90  -3.708  -1.328   3.550
  655   HD11  LEU  90          HD11      LEU  90  -4.162  -2.386   1.356
  656   HD12  LEU  90          HD12      LEU  90  -2.596  -1.784   0.815
  657   HD13  LEU  90          HD13      LEU  90  -3.857  -0.653   1.296
  658   HD21  LEU  90          HD21      LEU  90  -2.213  -3.075   4.345
  659   HD22  LEU  90          HD22      LEU  90  -1.769  -3.446   2.679
  660   HD23  LEU  90          HD23      LEU  90  -3.429  -3.696   3.231
  661    H    THR  91           HN       THR  91  -0.181   1.554   4.171
  662    HA   THR  91           HA       THR  91   2.245   1.450   2.814
  663    HB   THR  91           HB       THR  91   1.058   3.409   4.780
  664    HG1  THR  91           HG1      THR  91   0.059   3.581   2.861
  665   HG21  THR  91          HG21      THR  91   3.356   3.772   5.126
  666   HG22  THR  91          HG22      THR  91   2.848   5.014   3.977
  667   HG23  THR  91          HG23      THR  91   3.725   3.592   3.414
  668    H    GLN  92           HN       GLN  92   1.642   1.667   6.325
  669    HA   GLN  92           HA       GLN  92   4.196   1.462   7.284
  670    HB2  GLN  92           HB2      GLN  92   1.594   0.399   8.315
  671    HB3  GLN  92           HB1      GLN  92   3.073   0.437   9.273
  672    HG2  GLN  92           HG2      GLN  92   1.923   2.852   7.934
  673    HG3  GLN  92           HG1      GLN  92   1.517   2.366   9.551
  674   HE21  GLN  92          HE21      GLN  92   3.085   2.485  11.185
  675   HE22  GLN  92          HE22      GLN  92   4.504   3.458  10.997
  676    H    HIS  93           HN       HIS  93   2.023  -1.099   6.246
  677    HA   HIS  93           HA       HIS  93   3.570  -3.320   6.950
  678    HB2  HIS  93           HB2      HIS  93   1.295  -3.667   6.322
  679    HB3  HIS  93           HB1      HIS  93   1.529  -2.886   4.766
  680    HD1  HIS  93           HD1      HIS  93   2.576  -6.055   6.588
  681    HD2  HIS  93           HD2      HIS  93   2.090  -4.593   2.717
  682    HE1  HIS  93           HE1      HIS  93   2.912  -8.031   5.071
  683    HE2  HIS  93           HE2      HIS  93   2.725  -7.108   2.739
  684    H    LEU  94           HN       LEU  94   3.388  -1.677   3.750
  685    HA   LEU  94           HA       LEU  94   5.456  -3.383   2.705
  686    HB2  LEU  94           HB2      LEU  94   4.275  -0.826   1.597
  687    HB3  LEU  94           HB1      LEU  94   5.279  -1.957   0.713
  688    HG   LEU  94           HG       LEU  94   2.653  -2.764   1.929
  689   HD11  LEU  94          HD11      LEU  94   3.020  -1.985  -0.942
  690   HD12  LEU  94          HD12      LEU  94   2.463  -0.850   0.306
  691   HD13  LEU  94          HD13      LEU  94   1.528  -2.304  -0.048
  692   HD21  LEU  94          HD21      LEU  94   2.770  -4.570   0.293
  693   HD22  LEU  94          HD22      LEU  94   4.217  -4.563   1.296
  694   HD23  LEU  94          HD23      LEU  94   4.283  -3.923  -0.351
  695    H    HIS  95           HN       HIS  95   5.465  -0.351   4.402
  696    HA   HIS  95           HA       HIS  95   8.055   0.488   3.495
  697    HB2  HIS  95           HB2      HIS  95   6.399   2.033   4.597
  698    HB3  HIS  95           HB1      HIS  95   6.671   1.175   6.107
  699    HD1  HIS  95           HD1      HIS  95   8.766   1.740   7.427
  700    HD2  HIS  95           HD2      HIS  95   8.579   3.716   3.757
  701    HE1  HIS  95           HE1      HIS  95  10.576   3.472   7.497
  702    HE2  HIS  95           HE2      HIS  95  10.300   4.777   5.368
  703    H    THR  96           HN       THR  96   6.881  -0.991   6.513
  704    HA   THR  96           HA       THR  96   9.292  -1.762   7.571
  705    HB   THR  96           HB       THR  96   6.448  -2.537   7.835
  706    HG1  THR  96           HG1      THR  96   8.246  -2.147   9.962
  707   HG21  THR  96          HG21      THR  96   8.640  -4.223   9.010
  708   HG22  THR  96          HG22      THR  96   7.489  -4.708   7.767
  709   HG23  THR  96          HG23      THR  96   6.922  -4.337   9.394
  710    H    ARG  97           HN       ARG  97   7.142  -3.594   5.352
  711    HA   ARG  97           HA       ARG  97   8.787  -5.897   5.481
  712    HB2  ARG  97           HB2      ARG  97   6.501  -5.153   3.718
  713    HB3  ARG  97           HB1      ARG  97   7.338  -6.680   3.565
  714    HG2  ARG  97           HG2      ARG  97   5.797  -5.620   5.883
  715    HG3  ARG  97           HG1      ARG  97   5.411  -7.027   4.894
  716    HD2  ARG  97           HD2      ARG  97   7.667  -6.698   6.863
  717    HD3  ARG  97           HD1      ARG  97   6.275  -7.758   6.984
  718    HE   ARG  97           HE       ARG  97   8.516  -8.118   5.106
  719   HH11  ARG  97          HH11      ARG  97   5.800  -9.435   6.885
  720   HH12  ARG  97          HH12      ARG  97   6.277 -11.081   6.639
  721   HH21  ARG  97          HH21      ARG  97   9.149 -10.286   4.797
  722   HH22  ARG  97          HH22      ARG  97   8.180 -11.567   5.446
  723    H    LEU  98           HN       LEU  98   8.690  -3.143   3.362
  724    HA   LEU  98           HA       LEU  98  10.120  -3.970   1.212
  725    HB2  LEU  98           HB2      LEU  98   9.230  -1.631   2.017
  726    HB3  LEU  98           HB1      LEU  98  10.890  -1.426   2.508
  727    HG   LEU  98           HG       LEU  98   9.958  -0.711   0.096
  728   HD11  LEU  98          HD11      LEU  98  12.212  -0.361   1.160
  729   HD12  LEU  98          HD12      LEU  98  12.179  -0.514  -0.596
  730   HD13  LEU  98          HD13      LEU  98  12.698  -1.879   0.402
  731   HD21  LEU  98          HD21      LEU  98   9.385  -3.064  -0.427
  732   HD22  LEU  98          HD22      LEU  98  11.101  -3.468  -0.323
  733   HD23  LEU  98          HD23      LEU  98  10.536  -2.355  -1.566
  734    H    THR  99           HN       THR  99  11.505  -2.866   4.290
  735    HA   THR  99           HA       THR  99  14.129  -3.764   3.520
  736    HB   THR  99           HB       THR  99  14.182  -1.894   4.936
  737    HG1  THR  99           HG1      THR  99  15.595  -3.722   5.568
  738   HG21  THR  99          HG21      THR  99  13.067  -1.781   7.126
  739   HG22  THR  99          HG22      THR  99  12.326  -3.350   6.813
  740   HG23  THR  99          HG23      THR  99  11.922  -1.964   5.796
  741    H    GLN 100           HN       GLN 100  11.603  -4.846   5.768
  742    HA   GLN 100           HA       GLN 100  12.961  -7.292   6.404
  743    HB2  GLN 100           HB2      GLN 100  10.141  -6.365   6.874
  744    HB3  GLN 100           HB1      GLN 100  10.811  -7.850   7.522
  745    HG2  GLN 100           HG2      GLN 100  11.967  -5.130   8.056
  746    HG3  GLN 100           HG1      GLN 100  10.770  -5.904   9.093
  747   HE21  GLN 100          HE21      GLN 100  13.567  -5.109   9.612
  748   HE22  GLN 100          HE22      GLN 100  14.360  -6.552  10.149
  749    H    SER 101           HN       SER 101  13.268  -7.880   4.062
  750    HA   SER 101           HA       SER 101  10.998  -9.488   3.157
  751    HB2  SER 101           HB2      SER 101  11.357  -8.643   0.828
  752    HB3  SER 101           HB1      SER 101  10.754  -7.427   1.951
  753    HG   SER 101           HG       SER 101  12.488  -6.302   1.610
  754    H    HIS 102           HN       HIS 102  11.796 -10.672   1.006
  755    HA   HIS 102           HA       HIS 102  14.541 -11.574   1.451
  756    HB2  HIS 102           HB2      HIS 102  13.880 -13.902   0.890
  757    HB3  HIS 102           HB1      HIS 102  13.212 -13.330   2.395
  758    HD1  HIS 102           HD1      HIS 102  12.238 -15.358  -0.242
  759    HD2  HIS 102           HD2      HIS 102  10.451 -12.133   1.658
  760    HE1  HIS 102           HE1      HIS 102   9.777 -15.609  -0.677
  761    HE2  HIS 102           HE2      HIS 102   8.698 -13.771   0.673
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   7.240  -5.058 -17.661
    2    H2   GLY   1           HT2      GLY   1   6.242  -6.415 -17.784
    3    H3   GLY   1           HT3      GLY   1   7.882  -6.535 -18.170
    4    HA2  GLY   1           HA1      GLY   1   6.766  -5.986 -15.481
    5    HA3  GLY   1           HA2      GLY   1   7.460  -7.511 -16.016
    6    H    ALA   2           HN       ALA   2   8.565  -6.543 -13.838
    7    HA   ALA   2           HA       ALA   2  11.147  -5.491 -14.759
    8    HB1  ALA   2           HB1      ALA   2  11.274  -3.992 -12.847
    9    HB2  ALA   2           HB2      ALA   2   9.675  -4.505 -12.314
   10    HB3  ALA   2           HB3      ALA   2   9.857  -3.613 -13.825
   11    H    ALA   3           HN       ALA   3  12.924  -6.096 -13.447
   12    HA   ALA   3           HA       ALA   3  12.570  -8.612 -12.090
   13    HB1  ALA   3           HB1      ALA   3  15.043  -6.918 -12.454
   14    HB2  ALA   3           HB2      ALA   3  14.531  -8.248 -13.493
   15    HB3  ALA   3           HB3      ALA   3  15.007  -8.566 -11.825
   16    H    SER   4           HN       SER   4  11.276  -8.064 -10.334
   17    HA   SER   4           HA       SER   4  10.869  -7.611  -8.157
   18    HB2  SER   4           HB2      SER   4  13.135  -8.485  -7.693
   19    HB3  SER   4           HB1      SER   4  13.796  -6.876  -7.964
   20    HG   SER   4           HG       SER   4  13.231  -7.632  -5.700
   21    H    ALA   5           HN       ALA   5   9.486  -5.934  -8.171
   22    HA   ALA   5           HA       ALA   5  10.474  -3.251  -8.627
   23    HB1  ALA   5           HB1      ALA   5   8.158  -2.554  -8.331
   24    HB2  ALA   5           HB2      ALA   5   7.719  -4.187  -7.826
   25    HB3  ALA   5           HB3      ALA   5   8.270  -3.892  -9.475
   26    H    ALA   6           HN       ALA   6  10.678  -5.294  -6.097
   27    HA   ALA   6           HA       ALA   6  10.055  -3.468  -3.941
   28    HB1  ALA   6           HB1      ALA   6   9.868  -5.841  -3.532
   29    HB2  ALA   6           HB2      ALA   6  11.166  -5.189  -2.533
   30    HB3  ALA   6           HB3      ALA   6  11.551  -6.093  -3.998
   31    H    THR   7           HN       THR   7  12.587  -4.060  -6.081
   32    HA   THR   7           HA       THR   7  14.467  -2.553  -4.421
   33    HB   THR   7           HB       THR   7  15.396  -4.620  -5.273
   34    HG1  THR   7           HG1      THR   7  17.021  -3.354  -6.817
   35   HG21  THR   7          HG21      THR   7  15.742  -5.007  -7.659
   36   HG22  THR   7          HG22      THR   7  14.870  -3.519  -8.029
   37   HG23  THR   7          HG23      THR   7  14.021  -4.876  -7.285
   38    H    ASP   8           HN       ASP   8  12.066  -2.051  -6.550
   39    HA   ASP   8           HA       ASP   8  13.305   0.297  -7.772
   40    HB2  ASP   8           HB2      ASP   8  11.131  -1.488  -8.518
   41    HB3  ASP   8           HB1      ASP   8  10.653   0.205  -8.527
   42    H    LEU   9           HN       LEU   9  10.860  -0.903  -5.637
   43    HA   LEU   9           HA       LEU   9   9.563   1.561  -5.160
   44    HB2  LEU   9           HB2      LEU   9   8.426  -0.445  -4.546
   45    HB3  LEU   9           HB1      LEU   9   9.755  -0.967  -3.536
   46    HG   LEU   9           HG       LEU   9   9.364   1.106  -2.151
   47   HD11  LEU   9          HD11      LEU   9   6.742   1.111  -3.625
   48   HD12  LEU   9          HD12      LEU   9   8.044   2.312  -3.809
   49   HD13  LEU   9          HD13      LEU   9   7.193   2.144  -2.263
   50   HD21  LEU   9          HD21      LEU   9   8.767  -1.173  -1.486
   51   HD22  LEU   9          HD22      LEU   9   7.174  -0.941  -2.195
   52   HD23  LEU   9          HD23      LEU   9   7.678   0.044  -0.828
   53    H    ALA  10           HN       ALA  10  11.718  -0.405  -3.236
   54    HA   ALA  10           HA       ALA  10  12.431   1.544  -1.330
   55    HB1  ALA  10           HB1      ALA  10  14.013  -0.836  -2.296
   56    HB2  ALA  10           HB2      ALA  10  12.840  -0.820  -0.974
   57    HB3  ALA  10           HB3      ALA  10  14.345   0.092  -0.832
   58    H    ALA  11           HN       ALA  11  13.022   1.578  -4.590
   59    HA   ALA  11           HA       ALA  11  15.582   2.897  -4.505
   60    HB1  ALA  11           HB1      ALA  11  15.164   3.296  -6.904
   61    HB2  ALA  11           HB2      ALA  11  13.570   2.551  -6.716
   62    HB3  ALA  11           HB3      ALA  11  15.033   1.596  -6.457
   63    H    ARG  12           HN       ARG  12  12.114   3.757  -4.852
   64    HA   ARG  12           HA       ARG  12  12.498   6.549  -5.043
   65    HB2  ARG  12           HB2      ARG  12  10.275   4.770  -4.132
   66    HB3  ARG  12           HB1      ARG  12  10.126   6.502  -3.978
   67    HG2  ARG  12           HG2      ARG  12   9.023   5.978  -5.938
   68    HG3  ARG  12           HG1      ARG  12  10.605   6.549  -6.474
   69    HD2  ARG  12           HD2      ARG  12  11.357   4.384  -6.922
   70    HD3  ARG  12           HD1      ARG  12  10.045   3.670  -5.977
   71    HE   ARG  12           HE       ARG  12   8.671   4.881  -7.915
   72   HH11  ARG  12          HH11      ARG  12  11.547   2.902  -8.138
   73   HH12  ARG  12          HH12      ARG  12  11.179   2.316  -9.733
   74   HH21  ARG  12          HH21      ARG  12   8.188   4.126 -10.009
   75   HH22  ARG  12          HH22      ARG  12   9.278   3.034 -10.803
   76    H    LEU  13           HN       LEU  13  12.565   4.278  -2.481
   77    HA   LEU  13           HA       LEU  13  12.044   6.186  -0.373
   78    HB2  LEU  13           HB2      LEU  13  12.545   3.253  -0.522
   79    HB3  LEU  13           HB1      LEU  13  12.648   4.069   1.019
   80    HG   LEU  13           HG       LEU  13  10.337   4.630   0.988
   81   HD11  LEU  13          HD11      LEU  13   8.914   3.871  -0.973
   82   HD12  LEU  13          HD12      LEU  13  10.433   3.858  -1.888
   83   HD13  LEU  13          HD13      LEU  13   9.856   5.353  -1.138
   84   HD21  LEU  13          HD21      LEU  13   9.265   2.459   0.833
   85   HD22  LEU  13          HD22      LEU  13  10.834   2.344   1.630
   86   HD23  LEU  13          HD23      LEU  13  10.656   1.830  -0.047
   87    H    ASN  14           HN       ASN  14  14.648   4.121  -1.419
   88    HA   ASN  14           HA       ASN  14  16.657   4.906   0.301
   89    HB2  ASN  14           HB2      ASN  14  16.455   3.804  -2.431
   90    HB3  ASN  14           HB1      ASN  14  18.037   4.464  -1.967
   91   HD21  ASN  14          HD21      ASN  14  17.251   1.731  -2.540
   92   HD22  ASN  14          HD22      ASN  14  17.575   0.804  -1.119
   93    H    GLY  15           HN       GLY  15  17.750   6.712   0.615
   94    HA2  GLY  15           HA2      GLY  15  18.798   8.731  -0.085
   95    HA3  GLY  15           HA1      GLY  15  17.684   8.805  -1.444
   96    H    LEU  16           HN       LEU  16  15.615   7.933   0.716
   97    HA   LEU  16           HA       LEU  16  14.985  10.698   1.469
   98    HB2  LEU  16           HB2      LEU  16  13.311   8.353   0.712
   99    HB3  LEU  16           HB1      LEU  16  12.634   9.557   1.778
  100    HG   LEU  16           HG       LEU  16  11.951  10.044  -0.462
  101   HD11  LEU  16          HD11      LEU  16  12.631  11.852   1.126
  102   HD12  LEU  16          HD12      LEU  16  12.634  12.296  -0.589
  103   HD13  LEU  16          HD13      LEU  16  14.155  11.947   0.234
  104   HD21  LEU  16          HD21      LEU  16  13.709   8.872  -1.684
  105   HD22  LEU  16          HD22      LEU  16  14.885  10.083  -1.169
  106   HD23  LEU  16          HD23      LEU  16  13.560  10.540  -2.239
  107    H    SER  17           HN       SER  17  13.740  10.997   3.421
  108    HA   SER  17           HA       SER  17  14.804   9.587   5.690
  109    HB2  SER  17           HB2      SER  17  12.565  11.616   5.587
  110    HB3  SER  17           HB1      SER  17  13.532  11.180   6.991
  111    HG   SER  17           HG       SER  17  14.294  13.111   6.093
  112    HA   PRO  18           HA       PRO  18  11.976   6.340   6.362
  113    HB2  PRO  18           HB2      PRO  18  11.258   7.715   8.927
  114    HB3  PRO  18           HB1      PRO  18  11.652   6.013   8.641
  115    HG2  PRO  18           HG2      PRO  18  13.496   7.582   9.670
  116    HG3  PRO  18           HG1      PRO  18  13.942   6.476   8.355
  117    HD2  PRO  18           HD2      PRO  18  13.459   9.419   8.259
  118    HD3  PRO  18           HD1      PRO  18  14.684   8.445   7.422
  119    H    GLN  19           HN       GLN  19  10.577   9.401   7.475
  120    HA   GLN  19           HA       GLN  19   7.866   8.648   6.951
  121    HB2  GLN  19           HB2      GLN  19   8.541  10.453   8.537
  122    HB3  GLN  19           HB1      GLN  19   8.963  11.446   7.146
  123    HG2  GLN  19           HG2      GLN  19   6.618  11.091   6.337
  124    HG3  GLN  19           HG1      GLN  19   6.262  10.412   7.919
  125   HE21  GLN  19          HE21      GLN  19   4.795  12.009   8.419
  126   HE22  GLN  19          HE22      GLN  19   5.272  13.627   8.793
  127    H    GLN  20           HN       GLN  20  10.359  10.156   4.995
  128    HA   GLN  20           HA       GLN  20   8.566  11.007   2.922
  129    HB2  GLN  20           HB2      GLN  20  11.554  10.633   2.983
  130    HB3  GLN  20           HB1      GLN  20  10.684  11.233   1.575
  131    HG2  GLN  20           HG2      GLN  20   9.779  13.059   3.062
  132    HG3  GLN  20           HG1      GLN  20  10.923  12.503   4.269
  133   HE21  GLN  20          HE21      GLN  20  13.108  12.898   4.004
  134   HE22  GLN  20          HE22      GLN  20  13.708  13.987   2.806
  135    H    GLN  21           HN       GLN  21  10.785   8.333   3.449
  136    HA   GLN  21           HA       GLN  21  10.286   6.777   1.209
  137    HB2  GLN  21           HB2      GLN  21  10.772   5.967   4.091
  138    HB3  GLN  21           HB1      GLN  21  10.858   4.856   2.736
  139    HG2  GLN  21           HG2      GLN  21  12.730   6.000   1.824
  140    HG3  GLN  21           HG1      GLN  21  12.585   7.310   2.999
  141   HE21  GLN  21          HE21      GLN  21  13.577   4.010   2.465
  142   HE22  GLN  21          HE22      GLN  21  14.437   3.815   3.947
  143    H    GLN  22           HN       GLN  22   8.490   7.236   4.148
  144    HA   GLN  22           HA       GLN  22   6.550   5.222   3.802
  145    HB2  GLN  22           HB2      GLN  22   7.273   6.877   5.781
  146    HB3  GLN  22           HB1      GLN  22   5.885   7.717   5.173
  147    HG2  GLN  22           HG2      GLN  22   4.471   6.000   5.636
  148    HG3  GLN  22           HG1      GLN  22   5.758   4.841   5.898
  149   HE21  GLN  22          HE21      GLN  22   3.964   7.510   7.215
  150   HE22  GLN  22          HE22      GLN  22   4.511   7.336   8.849
  151    H    GLN  23           HN       GLN  23   6.449   8.697   3.380
  152    HA   GLN  23           HA       GLN  23   4.065   9.212   2.262
  153    HB2  GLN  23           HB2      GLN  23   6.715  10.232   1.422
  154    HB3  GLN  23           HB1      GLN  23   5.201  10.950   0.894
  155    HG2  GLN  23           HG2      GLN  23   4.620  11.548   3.110
  156    HG3  GLN  23           HG1      GLN  23   5.942  10.610   3.776
  157   HE21  GLN  23          HE21      GLN  23   6.282  12.583   0.931
  158   HE22  GLN  23          HE22      GLN  23   7.297  13.785   1.647
  159    H    THR  24           HN       THR  24   6.804   7.911   0.427
  160    HA   THR  24           HA       THR  24   5.645   7.965  -2.121
  161    HB   THR  24           HB       THR  24   7.716   6.248  -0.809
  162    HG1  THR  24           HG1      THR  24   7.941   8.554  -1.630
  163   HG21  THR  24          HG21      THR  24   6.514   4.861  -2.499
  164   HG22  THR  24          HG22      THR  24   8.209   5.158  -2.904
  165   HG23  THR  24          HG23      THR  24   6.933   6.063  -3.723
  166    H    LEU  25           HN       LEU  25   5.493   5.458   0.395
  167    HA   LEU  25           HA       LEU  25   3.727   3.758  -1.144
  168    HB2  LEU  25           HB2      LEU  25   4.274   3.881   1.804
  169    HB3  LEU  25           HB1      LEU  25   3.409   2.597   0.993
  170    HG   LEU  25           HG       LEU  25   6.197   3.169   0.133
  171   HD11  LEU  25          HD11      LEU  25   6.244   3.218   2.596
  172   HD12  LEU  25          HD12      LEU  25   7.084   1.813   1.933
  173   HD13  LEU  25          HD13      LEU  25   5.470   1.633   2.624
  174   HD21  LEU  25          HD21      LEU  25   6.150   0.676  -0.046
  175   HD22  LEU  25          HD22      LEU  25   4.976   1.499  -1.067
  176   HD23  LEU  25          HD23      LEU  25   4.455   0.727   0.430
  177    H    ALA  26           HN       ALA  26   3.529   6.131   1.405
  178    HA   ALA  26           HA       ALA  26   0.739   5.996   1.834
  179    HB1  ALA  26           HB1      ALA  26   2.464   8.399   2.359
  180    HB2  ALA  26           HB2      ALA  26   2.627   6.926   3.313
  181    HB3  ALA  26           HB3      ALA  26   1.088   7.806   3.295
  182    H    THR  27           HN       THR  27   2.194   6.740  -0.864
  183    HA   THR  27           HA       THR  27   0.152   8.643  -1.737
  184    HB   THR  27           HB       THR  27   3.047   8.332  -2.489
  185    HG1  THR  27           HG1      THR  27   2.678   9.883  -0.964
  186   HG21  THR  27          HG21      THR  27   1.832   8.270  -4.589
  187   HG22  THR  27          HG22      THR  27   2.716   9.790  -4.411
  188   HG23  THR  27          HG23      THR  27   0.970   9.750  -4.149
  189    H    LEU  28           HN       LEU  28   2.290   6.025  -2.634
  190    HA   LEU  28           HA       LEU  28   1.042   5.288  -5.023
  191    HB2  LEU  28           HB2      LEU  28   3.215   4.586  -4.915
  192    HB3  LEU  28           HB1      LEU  28   3.080   4.147  -3.228
  193    HG   LEU  28           HG       LEU  28   1.386   2.376  -4.231
  194   HD11  LEU  28          HD11      LEU  28   2.268   1.401  -6.280
  195   HD12  LEU  28          HD12      LEU  28   3.417   2.738  -6.407
  196   HD13  LEU  28          HD13      LEU  28   1.684   3.050  -6.526
  197   HD21  LEU  28          HD21      LEU  28   3.051   1.713  -2.763
  198   HD22  LEU  28          HD22      LEU  28   4.344   2.178  -3.879
  199   HD23  LEU  28          HD23      LEU  28   3.335   0.772  -4.236
  200    H    VAL  29           HN       VAL  29   0.904   4.093  -1.760
  201    HA   VAL  29           HA       VAL  29  -0.731   1.855  -2.302
  202    HB   VAL  29           HB       VAL  29  -0.164   3.375   0.237
  203   HG11  VAL  29          HG11      VAL  29  -2.382   2.396   0.434
  204   HG12  VAL  29          HG12      VAL  29  -1.233   1.530   1.456
  205   HG13  VAL  29          HG13      VAL  29  -1.756   0.830  -0.076
  206   HG21  VAL  29          HG21      VAL  29   0.681   0.622  -0.652
  207   HG22  VAL  29          HG22      VAL  29   1.227   1.492   0.782
  208   HG23  VAL  29          HG23      VAL  29   1.659   2.080  -0.826
  209    H    ALA  30           HN       ALA  30  -1.294   5.168  -1.499
  210    HA   ALA  30           HA       ALA  30  -4.124   4.891  -1.236
  211    HB1  ALA  30           HB1      ALA  30  -3.027   6.629  -0.034
  212    HB2  ALA  30           HB2      ALA  30  -4.053   7.369  -1.265
  213    HB3  ALA  30           HB3      ALA  30  -2.314   7.257  -1.517
  214    H    ALA  31           HN       ALA  31  -1.831   5.757  -3.688
  215    HA   ALA  31           HA       ALA  31  -3.606   6.524  -5.727
  216    HB1  ALA  31           HB1      ALA  31  -1.675   5.769  -7.221
  217    HB2  ALA  31           HB2      ALA  31  -0.837   5.331  -5.719
  218    HB3  ALA  31           HB3      ALA  31  -1.309   7.002  -6.014
  219    H    ALA  32           HN       ALA  32  -2.267   3.474  -4.703
  220    HA   ALA  32           HA       ALA  32  -3.517   1.720  -6.457
  221    HB1  ALA  32           HB1      ALA  32  -2.588   1.527  -3.616
  222    HB2  ALA  32           HB2      ALA  32  -1.814   0.901  -5.075
  223    HB3  ALA  32           HB3      ALA  32  -3.286   0.140  -4.462
  224    H    THR  33           HN       THR  33  -4.646   2.988  -3.292
  225    HA   THR  33           HA       THR  33  -7.140   1.552  -3.519
  226    HB   THR  33           HB       THR  33  -6.554   3.838  -1.629
  227    HG1  THR  33           HG1      THR  33  -4.897   2.171  -1.534
  228   HG21  THR  33          HG21      THR  33  -8.103   2.511  -0.169
  229   HG22  THR  33          HG22      THR  33  -8.413   1.463  -1.557
  230   HG23  THR  33          HG23      THR  33  -8.852   3.169  -1.622
  231    H    ALA  34           HN       ALA  34  -5.897   4.580  -4.557
  232    HA   ALA  34           HA       ALA  34  -8.369   5.890  -4.982
  233    HB1  ALA  34           HB1      ALA  34  -7.087   7.364  -6.463
  234    HB2  ALA  34           HB2      ALA  34  -5.718   6.254  -6.378
  235    HB3  ALA  34           HB3      ALA  34  -6.258   7.104  -4.928
  236    H    THR  35           HN       THR  35  -6.583   3.443  -6.608
  237    HA   THR  35           HA       THR  35  -8.004   3.561  -9.083
  238    HB   THR  35           HB       THR  35  -5.905   1.884  -7.848
  239    HG1  THR  35           HG1      THR  35  -5.028   2.152  -9.962
  240   HG21  THR  35          HG21      THR  35  -7.648   0.242  -8.400
  241   HG22  THR  35          HG22      THR  35  -6.174   0.033  -9.358
  242   HG23  THR  35          HG23      THR  35  -7.599   0.784 -10.081
  243    H    VAL  36           HN       VAL  36  -8.024   1.460  -6.216
  244    HA   VAL  36           HA       VAL  36  -9.837  -0.427  -7.133
  245    HB   VAL  36           HB       VAL  36 -10.268  -0.922  -4.725
  246   HG11  VAL  36          HG11      VAL  36  -7.868  -1.467  -4.181
  247   HG12  VAL  36          HG12      VAL  36  -7.479  -0.741  -5.745
  248   HG13  VAL  36          HG13      VAL  36  -8.548  -2.145  -5.656
  249   HG21  VAL  36          HG21      VAL  36 -10.154   0.945  -3.497
  250   HG22  VAL  36          HG22      VAL  36  -8.781   1.581  -4.399
  251   HG23  VAL  36          HG23      VAL  36  -8.541   0.288  -3.221
  252    H    LEU  37           HN       LEU  37 -10.438   2.734  -5.745
  253    HA   LEU  37           HA       LEU  37 -13.298   2.117  -5.517
  254    HB2  LEU  37           HB2      LEU  37 -11.996   4.659  -4.637
  255    HB3  LEU  37           HB1      LEU  37 -13.468   3.918  -4.044
  256    HG   LEU  37           HG       LEU  37 -10.747   2.715  -3.639
  257   HD11  LEU  37          HD11      LEU  37 -10.863   4.941  -2.648
  258   HD12  LEU  37          HD12      LEU  37 -10.761   3.668  -1.436
  259   HD13  LEU  37          HD13      LEU  37 -12.305   4.460  -1.753
  260   HD21  LEU  37          HD21      LEU  37 -13.414   2.251  -2.323
  261   HD22  LEU  37          HD22      LEU  37 -11.899   1.471  -1.867
  262   HD23  LEU  37          HD23      LEU  37 -12.607   1.168  -3.453
  263    H    GLY  38           HN       GLY  38 -11.284   3.318  -7.815
  264    HA2  GLY  38           HA2      GLY  38 -11.546   4.673  -9.646
  265    HA3  GLY  38           HA1      GLY  38 -13.274   4.591  -9.338
  266    H    HIS  39           HN       HIS  39 -10.583   6.010  -7.482
  267    HA   HIS  39           HA       HIS  39 -12.013   8.589  -7.577
  268    HB2  HIS  39           HB2      HIS  39 -10.294   7.362  -5.452
  269    HB3  HIS  39           HB1      HIS  39 -10.496   9.105  -5.533
  270    HD1  HIS  39           HD1      HIS  39 -12.017   9.660  -3.648
  271    HD2  HIS  39           HD2      HIS  39 -13.326   6.337  -5.792
  272    HE1  HIS  39           HE1      HIS  39 -14.220   9.008  -2.622
  273    HE2  HIS  39           HE2      HIS  39 -14.969   6.965  -3.897
  274    H    HIS  40           HN       HIS  40  -9.079   6.903  -8.164
  275    HA   HIS  40           HA       HIS  40  -7.175   7.368  -9.257
  276    HB2  HIS  40           HB2      HIS  40  -8.568   8.460 -10.949
  277    HB3  HIS  40           HB1      HIS  40  -8.489   9.970 -10.047
  278    HD1  HIS  40           HD1      HIS  40  -7.188  11.367 -11.700
  279    HD2  HIS  40           HD2      HIS  40  -5.328   7.747 -10.827
  280    HE1  HIS  40           HE1      HIS  40  -4.913  11.493 -12.766
  281    HE2  HIS  40           HE2      HIS  40  -3.878   9.232 -12.368
  282    H    THR  41           HN       THR  41  -8.328  10.158  -7.381
  283    HA   THR  41           HA       THR  41  -5.675  11.130  -6.922
  284    HB   THR  41           HB       THR  41  -7.087  12.275  -4.962
  285    HG1  THR  41           HG1      THR  41  -9.108  12.543  -6.717
  286   HG21  THR  41          HG21      THR  41  -7.583  14.102  -6.602
  287   HG22  THR  41          HG22      THR  41  -6.924  13.047  -7.855
  288   HG23  THR  41          HG23      THR  41  -5.904  13.577  -6.513
  289    HA   PRO  42           HA       PRO  42  -4.873   8.593  -3.277
  290    HB2  PRO  42           HB2      PRO  42  -2.375  10.091  -3.164
  291    HB3  PRO  42           HB1      PRO  42  -2.616   8.369  -3.461
  292    HG2  PRO  42           HG2      PRO  42  -1.738  10.078  -5.379
  293    HG3  PRO  42           HG1      PRO  42  -2.706   8.635  -5.738
  294    HD2  PRO  42           HD2      PRO  42  -3.581  11.496  -5.535
  295    HD3  PRO  42           HD1      PRO  42  -4.051  10.261  -6.719
  296    H    GLU  43           HN       GLU  43  -4.966  11.938  -3.881
  297    HA   GLU  43           HA       GLU  43  -4.705  12.972  -1.258
  298    HB2  GLU  43           HB2      GLU  43  -6.427  14.210  -3.354
  299    HB3  GLU  43           HB1      GLU  43  -5.421  14.996  -2.156
  300    HG2  GLU  43           HG2      GLU  43  -3.439  14.349  -3.343
  301    HG3  GLU  43           HG1      GLU  43  -4.394  13.472  -4.528
  302    H    SER  44           HN       SER  44  -7.366  11.869  -3.239
  303    HA   SER  44           HA       SER  44  -9.453  12.492  -1.420
  304    HB2  SER  44           HB2      SER  44  -9.776  12.235  -3.865
  305    HB3  SER  44           HB1      SER  44  -9.390  10.528  -3.703
  306    HG   SER  44           HG       SER  44 -11.500  11.716  -2.245
  307    H    ILE  45           HN       ILE  45  -7.169   9.999  -1.702
  308    HA   ILE  45           HA       ILE  45  -8.640   8.078  -0.097
  309    HB   ILE  45           HB       ILE  45  -5.813   7.944  -1.127
  310   HG12  ILE  45          HG12      ILE  45  -7.335   8.177  -2.988
  311   HG13  ILE  45          HG11      ILE  45  -6.747   6.523  -2.913
  312   HG21  ILE  45          HG21      ILE  45  -6.410   6.419   0.768
  313   HG22  ILE  45          HG22      ILE  45  -5.891   5.607  -0.710
  314   HG23  ILE  45          HG23      ILE  45  -7.608   5.677  -0.299
  315   HD11  ILE  45          HD11      ILE  45  -8.832   5.794  -1.937
  316   HD12  ILE  45          HD12      ILE  45  -9.118   6.646  -3.454
  317   HD13  ILE  45          HD13      ILE  45  -9.424   7.456  -1.919
  318    H    SER  46           HN       SER  46  -8.803   9.220   1.888
  319    HA   SER  46           HA       SER  46  -6.543  10.250   3.253
  320    HB2  SER  46           HB2      SER  46  -9.053   9.286   4.583
  321    HB3  SER  46           HB1      SER  46  -7.980  10.579   5.096
  322    HG   SER  46           HG       SER  46  -8.649  11.465   2.863
  323    HA   PRO  47           HA       PRO  47  -4.750   6.529   4.541
  324    HB2  PRO  47           HB2      PRO  47  -2.934   7.451   6.217
  325    HB3  PRO  47           HB1      PRO  47  -2.986   8.075   4.570
  326    HG2  PRO  47           HG2      PRO  47  -3.921   9.329   7.102
  327    HG3  PRO  47           HG1      PRO  47  -3.184  10.085   5.687
  328    HD2  PRO  47           HD2      PRO  47  -5.950   9.892   6.288
  329    HD3  PRO  47           HD1      PRO  47  -5.228  10.477   4.766
  330    H    ALA  48           HN       ALA  48  -6.732   8.145   6.698
  331    HA   ALA  48           HA       ALA  48  -6.318   6.094   8.723
  332    HB1  ALA  48           HB1      ALA  48  -6.392   7.695  10.457
  333    HB2  ALA  48           HB2      ALA  48  -6.882   8.965   9.335
  334    HB3  ALA  48           HB3      ALA  48  -5.255   8.289   9.238
  335    H    THR  49           HN       THR  49  -8.346   7.099   6.525
  336    HA   THR  49           HA       THR  49 -10.838   7.286   7.879
  337    HB   THR  49           HB       THR  49  -9.977   6.838   5.047
  338    HG1  THR  49           HG1      THR  49 -11.296   8.899   6.486
  339   HG21  THR  49          HG21      THR  49 -12.300   6.843   4.324
  340   HG22  THR  49          HG22      THR  49 -12.830   6.829   6.008
  341   HG23  THR  49          HG23      THR  49 -11.941   5.452   5.351
  342    H    ALA  50           HN       ALA  50  -9.040   4.778   6.295
  343    HA   ALA  50           HA       ALA  50  -8.907   2.519   6.853
  344    HB1  ALA  50           HB1      ALA  50 -11.796   2.734   7.687
  345    HB2  ALA  50           HB2      ALA  50 -10.403   2.591   8.762
  346    HB3  ALA  50           HB3      ALA  50 -10.832   1.255   7.690
  347    H    PHE  51           HN       PHE  51  -8.925   1.107   5.373
  348    HA   PHE  51           HA       PHE  51  -9.813   1.506   2.800
  349    HB2  PHE  51           HB2      PHE  51  -9.218  -1.022   4.308
  350    HB3  PHE  51           HB1      PHE  51  -9.539  -1.001   2.575
  351    HD1  PHE  51           HD1      PHE  51  -8.197   1.248   1.559
  352    HD2  PHE  51           HD2      PHE  51  -7.019  -1.345   4.700
  353    HE1  PHE  51           HE1      PHE  51  -5.848   1.804   1.119
  354    HE2  PHE  51           HE2      PHE  51  -4.670  -0.803   4.279
  355    HZ   PHE  51           HZ       PHE  51  -4.073   0.772   2.476
  356    H    LYS  52           HN       LYS  52 -11.369  -0.406   5.343
  357    HA   LYS  52           HA       LYS  52 -13.587  -1.302   3.997
  358    HB2  LYS  52           HB2      LYS  52 -13.381  -0.244   6.821
  359    HB3  LYS  52           HB1      LYS  52 -14.732  -1.191   6.208
  360    HG2  LYS  52           HG2      LYS  52 -13.078  -3.008   5.699
  361    HG3  LYS  52           HG1      LYS  52 -11.873  -2.048   6.552
  362    HD2  LYS  52           HD2      LYS  52 -14.438  -3.116   7.703
  363    HD3  LYS  52           HD1      LYS  52 -12.824  -3.753   8.012
  364    HE2  LYS  52           HE2      LYS  52 -12.213  -1.537   8.960
  365    HE3  LYS  52           HE1      LYS  52 -13.892  -1.042   8.753
  366    HZ1  LYS  52           HZ1      LYS  52 -14.553  -2.850  10.228
  367    HZ2  LYS  52           HZ2      LYS  52 -13.504  -1.776  11.000
  368    HZ3  LYS  52           HZ3      LYS  52 -12.932  -3.273  10.460
  369    H    ASP  53           HN       ASP  53 -12.996   1.774   5.562
  370    HA   ASP  53           HA       ASP  53 -15.623   2.799   5.111
  371    HB2  ASP  53           HB2      ASP  53 -13.058   3.971   6.179
  372    HB3  ASP  53           HB1      ASP  53 -14.481   4.976   5.887
  373    H    LEU  54           HN       LEU  54 -12.909   2.436   3.260
  374    HA   LEU  54           HA       LEU  54 -13.303   4.762   1.570
  375    HB2  LEU  54           HB2      LEU  54 -11.276   2.573   1.756
  376    HB3  LEU  54           HB1      LEU  54 -11.352   3.559   0.316
  377    HG   LEU  54           HG       LEU  54 -11.015   4.701   3.088
  378   HD11  LEU  54          HD11      LEU  54  -8.623   4.954   2.461
  379   HD12  LEU  54          HD12      LEU  54  -8.921   3.875   1.099
  380   HD13  LEU  54          HD13      LEU  54  -9.134   3.292   2.751
  381   HD21  LEU  54          HD21      LEU  54 -11.828   6.276   1.469
  382   HD22  LEU  54          HD22      LEU  54 -10.571   5.801   0.327
  383   HD23  LEU  54          HD23      LEU  54 -10.137   6.626   1.825
  384    H    GLY  55           HN       GLY  55 -14.073   1.385   1.707
  385    HA2  GLY  55           HA2      GLY  55 -15.976   0.847   0.169
  386    HA3  GLY  55           HA1      GLY  55 -14.966   1.501  -1.112
  387    H    ILE  56           HN       ILE  56 -12.862   0.122   0.869
  388    HA   ILE  56           HA       ILE  56 -12.329  -2.099  -0.794
  389    HB   ILE  56           HB       ILE  56 -11.347  -1.412   1.966
  390   HG12  ILE  56          HG12      ILE  56 -10.286   0.125   0.674
  391   HG13  ILE  56          HG11      ILE  56  -9.161  -1.204   0.541
  392   HG21  ILE  56          HG21      ILE  56 -10.772  -3.731   0.228
  393   HG22  ILE  56          HG22      ILE  56 -11.047  -3.651   1.973
  394   HG23  ILE  56          HG23      ILE  56  -9.520  -3.089   1.284
  395   HD11  ILE  56          HD11      ILE  56 -11.257  -0.520  -1.488
  396   HD12  ILE  56          HD12      ILE  56 -10.048  -1.807  -1.613
  397   HD13  ILE  56          HD13      ILE  56  -9.548  -0.116  -1.590
  398    H    ASP  57           HN       ASP  57 -13.779  -3.754  -0.910
  399    HA   ASP  57           HA       ASP  57 -13.986  -5.296   1.577
  400    HB2  ASP  57           HB2      ASP  57 -16.160  -4.176   1.219
  401    HB3  ASP  57           HB1      ASP  57 -16.273  -4.928  -0.370
  402    H    SER  58           HN       SER  58 -12.653  -6.894   1.123
  403    HA   SER  58           HA       SER  58 -11.712  -8.715   0.228
  404    HB2  SER  58           HB2      SER  58 -13.291 -10.241  -1.141
  405    HB3  SER  58           HB1      SER  58 -13.646  -9.949   0.562
  406    HG   SER  58           HG       SER  58 -14.896  -8.057  -0.710
  407    H    LEU  59           HN       LEU  59 -13.752  -7.806  -2.554
  408    HA   LEU  59           HA       LEU  59 -11.960  -8.734  -4.486
  409    HB2  LEU  59           HB2      LEU  59 -14.058  -6.582  -4.657
  410    HB3  LEU  59           HB1      LEU  59 -13.172  -7.178  -6.036
  411    HG   LEU  59           HG       LEU  59 -14.132  -9.424  -5.685
  412   HD11  LEU  59          HD11      LEU  59 -15.991  -9.735  -4.160
  413   HD12  LEU  59          HD12      LEU  59 -15.784  -8.090  -3.554
  414   HD13  LEU  59          HD13      LEU  59 -14.521  -9.294  -3.289
  415   HD21  LEU  59          HD21      LEU  59 -15.184  -7.948  -7.245
  416   HD22  LEU  59          HD22      LEU  59 -16.041  -7.120  -5.947
  417   HD23  LEU  59          HD23      LEU  59 -16.447  -8.791  -6.346
  418    H    THR  60           HN       THR  60 -12.584  -5.425  -3.403
  419    HA   THR  60           HA       THR  60 -10.410  -4.403  -4.981
  420    HB   THR  60           HB       THR  60 -10.977  -2.282  -3.552
  421    HG1  THR  60           HG1      THR  60 -13.561  -3.226  -3.423
  422   HG21  THR  60          HG21      THR  60 -12.691  -1.712  -5.188
  423   HG22  THR  60          HG22      THR  60 -12.883  -3.418  -5.600
  424   HG23  THR  60          HG23      THR  60 -11.363  -2.589  -5.960
  425    H    ALA  61           HN       ALA  61 -10.796  -5.745  -1.902
  426    HA   ALA  61           HA       ALA  61  -8.456  -4.547  -0.747
  427    HB1  ALA  61           HB1      ALA  61  -9.792  -7.145   0.021
  428    HB2  ALA  61           HB2      ALA  61 -10.271  -5.556   0.617
  429    HB3  ALA  61           HB3      ALA  61  -8.668  -6.192   0.997
  430    H    LEU  62           HN       LEU  62  -9.225  -7.444  -2.602
  431    HA   LEU  62           HA       LEU  62  -6.580  -8.478  -2.581
  432    HB2  LEU  62           HB2      LEU  62  -8.934  -9.546  -3.196
  433    HB3  LEU  62           HB1      LEU  62  -8.472  -9.018  -4.795
  434    HG   LEU  62           HG       LEU  62  -7.647 -11.125  -4.903
  435   HD11  LEU  62          HD11      LEU  62  -5.692  -9.705  -5.136
  436   HD12  LEU  62          HD12      LEU  62  -5.272 -11.252  -4.400
  437   HD13  LEU  62          HD13      LEU  62  -5.394  -9.801  -3.399
  438   HD21  LEU  62          HD21      LEU  62  -8.506 -11.782  -2.737
  439   HD22  LEU  62          HD22      LEU  62  -7.134 -11.010  -1.945
  440   HD23  LEU  62          HD23      LEU  62  -6.878 -12.418  -2.972
  441    H    GLU  63           HN       GLU  63  -8.495  -6.492  -4.900
  442    HA   GLU  63           HA       GLU  63  -6.482  -6.290  -6.817
  443    HB2  GLU  63           HB2      GLU  63  -8.580  -5.706  -7.567
  444    HB3  GLU  63           HB1      GLU  63  -9.010  -4.915  -6.061
  445    HG2  GLU  63           HG2      GLU  63  -8.891  -3.236  -7.676
  446    HG3  GLU  63           HG1      GLU  63  -7.450  -3.119  -6.672
  447    H    LEU  64           HN       LEU  64  -7.238  -4.421  -3.893
  448    HA   LEU  64           HA       LEU  64  -5.264  -2.459  -4.081
  449    HB2  LEU  64           HB2      LEU  64  -7.020  -3.423  -2.096
  450    HB3  LEU  64           HB1      LEU  64  -5.396  -3.591  -1.432
  451    HG   LEU  64           HG       LEU  64  -6.662  -1.048  -2.423
  452   HD11  LEU  64          HD11      LEU  64  -6.518  -0.366  -0.098
  453   HD12  LEU  64          HD12      LEU  64  -5.802  -1.924   0.331
  454   HD13  LEU  64          HD13      LEU  64  -7.470  -1.850  -0.243
  455   HD21  LEU  64          HD21      LEU  64  -4.598   0.035  -1.722
  456   HD22  LEU  64          HD22      LEU  64  -4.261  -1.183  -2.960
  457   HD23  LEU  64          HD23      LEU  64  -3.923  -1.530  -1.265
  458    H    ARG  65           HN       ARG  65  -5.242  -5.701  -2.964
  459    HA   ARG  65           HA       ARG  65  -2.604  -5.859  -2.009
  460    HB2  ARG  65           HB2      ARG  65  -4.235  -7.490  -1.302
  461    HB3  ARG  65           HB1      ARG  65  -4.524  -8.001  -2.961
  462    HG2  ARG  65           HG2      ARG  65  -1.793  -8.297  -1.761
  463    HG3  ARG  65           HG1      ARG  65  -3.063  -9.453  -1.357
  464    HD2  ARG  65           HD2      ARG  65  -3.353 -10.000  -3.700
  465    HD3  ARG  65           HD1      ARG  65  -2.183  -8.767  -4.162
  466    HE   ARG  65           HE       ARG  65  -1.031 -10.648  -2.367
  467   HH11  ARG  65          HH11      ARG  65  -2.032 -10.268  -5.716
  468   HH12  ARG  65          HH12      ARG  65  -0.858 -11.395  -6.320
  469   HH21  ARG  65          HH21      ARG  65   0.499 -12.146  -3.180
  470   HH22  ARG  65          HH22      ARG  65   0.578 -12.452  -4.887
  471    H    ASN  66           HN       ASN  66  -4.109  -6.812  -5.007
  472    HA   ASN  66           HA       ASN  66  -1.912  -7.836  -6.343
  473    HB2  ASN  66           HB2      ASN  66  -4.533  -6.680  -7.201
  474    HB3  ASN  66           HB1      ASN  66  -3.347  -7.115  -8.419
  475   HD21  ASN  66          HD21      ASN  66  -5.989  -8.279  -7.767
  476   HD22  ASN  66          HD22      ASN  66  -5.688  -9.956  -7.485
  477    H    THR  67           HN       THR  67  -3.052  -4.454  -6.187
  478    HA   THR  67           HA       THR  67  -1.039  -3.574  -8.026
  479    HB   THR  67           HB       THR  67  -2.665  -2.012  -6.032
  480    HG1  THR  67           HG1      THR  67  -4.011  -2.767  -7.623
  481   HG21  THR  67          HG21      THR  67  -0.604  -0.811  -6.549
  482   HG22  THR  67          HG22      THR  67  -1.989  -0.015  -7.303
  483   HG23  THR  67          HG23      THR  67  -0.910  -1.015  -8.276
  484    H    LEU  68           HN       LEU  68  -1.355  -3.502  -4.497
  485    HA   LEU  68           HA       LEU  68   1.012  -2.135  -3.968
  486    HB2  LEU  68           HB2      LEU  68  -0.519  -4.129  -2.331
  487    HB3  LEU  68           HB1      LEU  68   0.895  -3.301  -1.720
  488    HG   LEU  68           HG       LEU  68  -1.843  -2.291  -2.174
  489   HD11  LEU  68          HD11      LEU  68   0.357  -1.640  -0.231
  490   HD12  LEU  68          HD12      LEU  68  -0.977  -2.761   0.042
  491   HD13  LEU  68          HD13      LEU  68  -1.294  -1.041  -0.161
  492   HD21  LEU  68          HD21      LEU  68   0.584  -0.528  -2.500
  493   HD22  LEU  68          HD22      LEU  68  -1.088   0.016  -2.369
  494   HD23  LEU  68          HD23      LEU  68  -0.581  -0.932  -3.763
  495    H    THR  69           HN       THR  69   0.476  -5.677  -3.987
  496    HA   THR  69           HA       THR  69   3.083  -6.349  -3.322
  497    HB   THR  69           HB       THR  69   1.219  -7.982  -3.327
  498    HG1  THR  69           HG1      THR  69   3.277  -8.872  -3.380
  499   HG21  THR  69          HG21      THR  69   0.501  -9.039  -5.418
  500   HG22  THR  69          HG22      THR  69   1.497  -7.908  -6.334
  501   HG23  THR  69          HG23      THR  69   0.118  -7.317  -5.408
  502    H    HIS  70           HN       HIS  70   1.761  -5.283  -6.356
  503    HA   HIS  70           HA       HIS  70   3.971  -6.157  -7.939
  504    HB2  HIS  70           HB2      HIS  70   1.699  -5.751  -8.901
  505    HB3  HIS  70           HB1      HIS  70   1.883  -4.043  -8.539
  506    HD1  HIS  70           HD1      HIS  70   2.980  -6.666 -10.966
  507    HD2  HIS  70           HD2      HIS  70   3.583  -2.617 -10.248
  508    HE1  HIS  70           HE1      HIS  70   4.056  -5.761 -13.050
  509    HE2  HIS  70           HE2      HIS  70   4.589  -3.360 -12.510
  510    H    ASN  71           HN       ASN  71   3.028  -3.148  -6.375
  511    HA   ASN  71           HA       ASN  71   5.240  -1.725  -7.538
  512    HB2  ASN  71           HB2      ASN  71   3.091  -0.926  -5.617
  513    HB3  ASN  71           HB1      ASN  71   4.408   0.154  -6.077
  514   HD21  ASN  71          HD21      ASN  71   1.578  -1.519  -7.144
  515   HD22  ASN  71          HD22      ASN  71   1.369  -0.644  -8.617
  516    H    THR  72           HN       THR  72   4.765  -3.577  -4.699
  517    HA   THR  72           HA       THR  72   7.154  -2.347  -3.508
  518    HB   THR  72           HB       THR  72   6.351  -3.076  -1.337
  519    HG1  THR  72           HG1      THR  72   3.921  -3.897  -2.557
  520   HG21  THR  72          HG21      THR  72   5.430  -0.945  -2.624
  521   HG22  THR  72          HG22      THR  72   4.778  -1.424  -1.053
  522   HG23  THR  72          HG23      THR  72   3.911  -1.850  -2.533
  523    H    GLY  73           HN       GLY  73   5.804  -5.201  -4.829
  524    HA2  GLY  73           HA2      GLY  73   7.007  -7.072  -5.470
  525    HA3  GLY  73           HA1      GLY  73   8.388  -6.419  -4.615
  526    H    LEU  74           HN       LEU  74   5.652  -6.479  -2.671
  527    HA   LEU  74           HA       LEU  74   6.798  -8.715  -1.212
  528    HB2  LEU  74           HB2      LEU  74   5.899  -6.266  -0.386
  529    HB3  LEU  74           HB1      LEU  74   4.537  -7.307  -0.013
  530    HG   LEU  74           HG       LEU  74   6.105  -8.817   1.200
  531   HD11  LEU  74          HD11      LEU  74   8.331  -8.201   1.574
  532   HD12  LEU  74          HD12      LEU  74   8.049  -6.540   1.057
  533   HD13  LEU  74          HD13      LEU  74   8.065  -7.841  -0.140
  534   HD21  LEU  74          HD21      LEU  74   6.216  -7.459   3.167
  535   HD22  LEU  74          HD22      LEU  74   4.724  -7.067   2.311
  536   HD23  LEU  74          HD23      LEU  74   6.111  -5.983   2.211
  537    H    ASP  75           HN       ASP  75   6.059 -10.574  -1.432
  538    HA   ASP  75           HA       ASP  75   3.585 -10.984  -2.887
  539    HB2  ASP  75           HB2      ASP  75   5.662 -12.091  -3.570
  540    HB3  ASP  75           HB1      ASP  75   5.711 -12.904  -2.014
  541    H    LEU  76           HN       LEU  76   2.471 -10.202  -0.877
  542    HA   LEU  76           HA       LEU  76   1.968 -12.421   0.972
  543    HB2  LEU  76           HB2      LEU  76   2.543 -10.140   1.873
  544    HB3  LEU  76           HB1      LEU  76   1.028  -9.566   1.205
  545    HG   LEU  76           HG       LEU  76  -0.140 -11.284   2.637
  546   HD11  LEU  76          HD11      LEU  76   1.104 -12.126   4.582
  547   HD12  LEU  76          HD12      LEU  76   2.592 -11.475   3.894
  548   HD13  LEU  76          HD13      LEU  76   1.727 -12.764   3.061
  549   HD21  LEU  76          HD21      LEU  76  -0.090  -8.933   3.225
  550   HD22  LEU  76          HD22      LEU  76   1.467  -9.149   4.025
  551   HD23  LEU  76          HD23      LEU  76   0.027  -9.937   4.668
  552    HA   PRO  77           HA       PRO  77  -1.938 -13.213  -1.123
  553    HB2  PRO  77           HB2      PRO  77  -2.640 -14.504   1.449
  554    HB3  PRO  77           HB1      PRO  77  -2.580 -15.198  -0.173
  555    HG2  PRO  77           HG2      PRO  77  -0.740 -15.808   1.657
  556    HG3  PRO  77           HG1      PRO  77  -0.315 -15.625  -0.056
  557    HD2  PRO  77           HD2      PRO  77   0.077 -13.710   2.211
  558    HD3  PRO  77           HD1      PRO  77   1.176 -14.123   0.879
  559    HA   PRO  78           HA       PRO  78  -5.229 -10.526   0.426
  560    HB2  PRO  78           HB2      PRO  78  -7.149 -12.311   1.414
  561    HB3  PRO  78           HB1      PRO  78  -7.048 -11.694  -0.234
  562    HG2  PRO  78           HG2      PRO  78  -6.063 -14.274   0.889
  563    HG3  PRO  78           HG1      PRO  78  -6.799 -13.943  -0.691
  564    HD2  PRO  78           HD2      PRO  78  -4.182 -14.317  -0.479
  565    HD3  PRO  78           HD1      PRO  78  -4.820 -13.063  -1.559
  566    H    THR  79           HN       THR  79  -7.018 -10.610   2.457
  567    HA   THR  79           HA       THR  79  -7.279 -10.016   4.566
  568    HB   THR  79           HB       THR  79  -6.383 -11.418   6.368
  569    HG1  THR  79           HG1      THR  79  -4.601 -12.166   4.426
  570   HG21  THR  79          HG21      THR  79  -7.447 -12.940   3.995
  571   HG22  THR  79          HG22      THR  79  -8.401 -12.108   5.225
  572   HG23  THR  79          HG23      THR  79  -7.440 -13.523   5.659
  573    H    LEU  80           HN       LEU  80  -4.773  -9.056   2.987
  574    HA   LEU  80           HA       LEU  80  -3.100  -8.036   5.064
  575    HB2  LEU  80           HB2      LEU  80  -2.258  -8.336   2.800
  576    HB3  LEU  80           HB1      LEU  80  -3.436  -7.194   2.183
  577    HG   LEU  80           HG       LEU  80  -2.338  -5.368   3.332
  578   HD11  LEU  80          HD11      LEU  80  -1.592  -6.509   5.329
  579   HD12  LEU  80          HD12      LEU  80  -0.235  -5.702   4.544
  580   HD13  LEU  80          HD13      LEU  80  -0.434  -7.445   4.388
  581   HD21  LEU  80          HD21      LEU  80  -0.372  -7.087   1.830
  582   HD22  LEU  80          HD22      LEU  80  -0.215  -5.356   2.123
  583   HD23  LEU  80          HD23      LEU  80  -1.528  -5.963   1.115
  584    H    ILE  81           HN       ILE  81  -5.855  -6.791   3.240
  585    HA   ILE  81           HA       ILE  81  -5.866  -4.210   4.470
  586    HB   ILE  81           HB       ILE  81  -8.262  -5.671   3.334
  587   HG12  ILE  81          HG12      ILE  81  -6.629  -5.602   1.600
  588   HG13  ILE  81          HG11      ILE  81  -7.752  -4.293   1.297
  589   HG21  ILE  81          HG21      ILE  81  -9.219  -3.506   2.998
  590   HG22  ILE  81          HG22      ILE  81  -7.738  -2.724   3.534
  591   HG23  ILE  81          HG23      ILE  81  -8.723  -3.629   4.689
  592   HD11  ILE  81          HD11      ILE  81  -5.116  -3.990   2.673
  593   HD12  ILE  81          HD12      ILE  81  -6.220  -2.706   2.183
  594   HD13  ILE  81          HD13      ILE  81  -5.404  -3.687   0.961
  595    H    PHE  82           HN       PHE  82  -7.178  -7.308   5.248
  596    HA   PHE  82           HA       PHE  82  -8.801  -6.567   7.417
  597    HB2  PHE  82           HB2      PHE  82  -7.433  -9.179   6.740
  598    HB3  PHE  82           HB1      PHE  82  -8.676  -8.991   7.964
  599    HD1  PHE  82           HD1      PHE  82 -10.811  -9.538   7.395
  600    HD2  PHE  82           HD2      PHE  82  -8.175  -8.210   4.322
  601    HE1  PHE  82           HE1      PHE  82 -12.559  -9.940   5.720
  602    HE2  PHE  82           HE2      PHE  82  -9.921  -8.620   2.647
  603    HZ   PHE  82           HZ       PHE  82 -12.118  -9.485   3.342
  604    H    ASP  83           HN       ASP  83  -5.389  -7.226   7.085
  605    HA   ASP  83           HA       ASP  83  -4.946  -7.249   9.964
  606    HB2  ASP  83           HB2      ASP  83  -3.666  -8.741   8.395
  607    HB3  ASP  83           HB1      ASP  83  -2.902  -7.303   7.738
  608    H    HIS  84           HN       HIS  84  -4.522  -5.171   7.196
  609    HA   HIS  84           HA       HIS  84  -3.712  -2.961   8.969
  610    HB2  HIS  84           HB2      HIS  84  -2.680  -3.626   6.215
  611    HB3  HIS  84           HB1      HIS  84  -2.439  -2.063   6.966
  612    HD1  HIS  84           HD1      HIS  84  -0.682  -1.938   8.882
  613    HD2  HIS  84           HD2      HIS  84  -1.175  -5.732   7.257
  614    HE1  HIS  84           HE1      HIS  84   1.247  -3.292   9.738
  615    HE2  HIS  84           HE2      HIS  84   0.776  -5.634   8.948
  616    HA   PRO  85           HA       PRO  85  -7.557  -2.097   6.853
  617    HB2  PRO  85           HB2      PRO  85  -8.830  -0.849   8.828
  618    HB3  PRO  85           HB1      PRO  85  -8.469  -2.576   8.922
  619    HG2  PRO  85           HG2      PRO  85  -7.075  -0.277  10.225
  620    HG3  PRO  85           HG1      PRO  85  -7.459  -1.877  10.887
  621    HD2  PRO  85           HD2      PRO  85  -4.997  -1.117   9.831
  622    HD3  PRO  85           HD1      PRO  85  -5.548  -2.788  10.054
  623    H    THR  86           HN       THR  86  -5.153   0.199   7.453
  624    HA   THR  86           HA       THR  86  -6.849   2.194   6.141
  625    HB   THR  86           HB       THR  86  -5.729   3.995   7.323
  626    HG1  THR  86           HG1      THR  86  -4.594   2.631   9.343
  627   HG21  THR  86          HG21      THR  86  -6.893   1.916   9.172
  628   HG22  THR  86          HG22      THR  86  -7.768   3.196   8.331
  629   HG23  THR  86          HG23      THR  86  -6.620   3.603   9.606
  630    HA   PRO  87           HA       PRO  87  -3.661   2.561   3.037
  631    HB2  PRO  87           HB2      PRO  87  -3.794   5.496   3.406
  632    HB3  PRO  87           HB1      PRO  87  -3.940   4.538   1.932
  633    HG2  PRO  87           HG2      PRO  87  -6.096   5.623   3.070
  634    HG3  PRO  87           HG1      PRO  87  -6.159   4.022   2.314
  635    HD2  PRO  87           HD2      PRO  87  -6.087   4.751   5.208
  636    HD3  PRO  87           HD1      PRO  87  -6.939   3.422   4.399
  637    H    HIS  88           HN       HIS  88  -3.422   4.592   5.881
  638    HA   HIS  88           HA       HIS  88  -0.622   4.904   5.948
  639    HB2  HIS  88           HB2      HIS  88  -2.269   6.139   7.388
  640    HB3  HIS  88           HB1      HIS  88  -2.506   4.664   8.307
  641    HD1  HIS  88           HD1      HIS  88   0.277   7.118   7.471
  642    HD2  HIS  88           HD2      HIS  88  -0.817   4.378  10.398
  643    HE1  HIS  88           HE1      HIS  88   2.004   7.338   9.281
  644    HE2  HIS  88           HE2      HIS  88   1.196   5.826  11.126
  645    H    ALA  89           HN       ALA  89  -2.754   2.502   7.465
  646    HA   ALA  89           HA       ALA  89  -0.842   0.917   8.705
  647    HB1  ALA  89           HB1      ALA  89  -3.240   0.736   9.112
  648    HB2  ALA  89           HB2      ALA  89  -2.521  -0.831   8.731
  649    HB3  ALA  89           HB3      ALA  89  -3.456   0.033   7.507
  650    H    LEU  90           HN       LEU  90  -2.393   0.223   5.523
  651    HA   LEU  90           HA       LEU  90  -0.893  -1.974   4.822
  652    HB2  LEU  90           HB2      LEU  90  -2.667  -0.218   3.542
  653    HB3  LEU  90           HB1      LEU  90  -1.238  -0.248   2.550
  654    HG   LEU  90           HG       LEU  90  -1.396  -2.619   2.237
  655   HD11  LEU  90          HD11      LEU  90  -3.351  -3.848   3.172
  656   HD12  LEU  90          HD12      LEU  90  -3.664  -2.456   4.201
  657   HD13  LEU  90          HD13      LEU  90  -2.156  -3.355   4.364
  658   HD21  LEU  90          HD21      LEU  90  -3.353  -2.726   0.922
  659   HD22  LEU  90          HD22      LEU  90  -2.833  -1.041   0.885
  660   HD23  LEU  90          HD23      LEU  90  -4.174  -1.527   1.919
  661    H    THR  91           HN       THR  91  -0.177   1.419   4.349
  662    HA   THR  91           HA       THR  91   2.196   1.127   2.950
  663    HB   THR  91           HB       THR  91   1.119   3.279   4.765
  664    HG1  THR  91           HG1      THR  91   0.126   3.417   2.864
  665   HG21  THR  91          HG21      THR  91   3.402   3.635   5.100
  666   HG22  THR  91          HG22      THR  91   2.986   4.732   3.781
  667   HG23  THR  91          HG23      THR  91   3.807   3.209   3.441
  668    H    GLN  92           HN       GLN  92   1.575   1.437   6.423
  669    HA   GLN  92           HA       GLN  92   4.152   1.364   7.412
  670    HB2  GLN  92           HB2      GLN  92   1.631   0.165   8.564
  671    HB3  GLN  92           HB1      GLN  92   3.108   0.404   9.475
  672    HG2  GLN  92           HG2      GLN  92   2.890   2.865   8.859
  673    HG3  GLN  92           HG1      GLN  92   1.257   2.461   8.346
  674   HE21  GLN  92          HE21      GLN  92   3.393   2.853  11.032
  675   HE22  GLN  92          HE22      GLN  92   2.186   2.758  12.270
  676    H    HIS  93           HN       HIS  93   2.088  -1.277   6.376
  677    HA   HIS  93           HA       HIS  93   3.625  -3.443   7.264
  678    HB2  HIS  93           HB2      HIS  93   1.364  -3.774   6.474
  679    HB3  HIS  93           HB1      HIS  93   1.782  -3.166   4.879
  680    HD1  HIS  93           HD1      HIS  93   2.412  -6.155   7.117
  681    HD2  HIS  93           HD2      HIS  93   2.653  -5.067   3.103
  682    HE1  HIS  93           HE1      HIS  93   2.891  -8.279   5.873
  683    HE2  HIS  93           HE2      HIS  93   3.219  -7.578   3.483
  684    H    LEU  94           HN       LEU  94   3.615  -1.898   4.033
  685    HA   LEU  94           HA       LEU  94   5.756  -3.596   3.114
  686    HB2  LEU  94           HB2      LEU  94   4.526  -1.124   1.877
  687    HB3  LEU  94           HB1      LEU  94   5.545  -2.294   1.057
  688    HG   LEU  94           HG       LEU  94   2.939  -3.077   2.336
  689   HD11  LEU  94          HD11      LEU  94   1.798  -2.819   0.323
  690   HD12  LEU  94          HD12      LEU  94   3.270  -2.444  -0.574
  691   HD13  LEU  94          HD13      LEU  94   2.628  -1.287   0.614
  692   HD21  LEU  94          HD21      LEU  94   4.536  -4.868   1.798
  693   HD22  LEU  94          HD22      LEU  94   4.568  -4.327   0.115
  694   HD23  LEU  94          HD23      LEU  94   3.078  -4.968   0.814
  695    H    HIS  95           HN       HIS  95   5.516  -0.505   4.652
  696    HA   HIS  95           HA       HIS  95   8.025   0.551   3.753
  697    HB2  HIS  95           HB2      HIS  95   6.191   1.991   4.628
  698    HB3  HIS  95           HB1      HIS  95   6.384   1.250   6.209
  699    HD1  HIS  95           HD1      HIS  95   8.260   2.101   7.692
  700    HD2  HIS  95           HD2      HIS  95   8.272   3.796   3.885
  701    HE1  HIS  95           HE1      HIS  95   9.860   4.027   7.814
  702    HE2  HIS  95           HE2      HIS  95   9.667   5.162   5.581
  703    H    THR  96           HN       THR  96   6.911  -1.430   6.420
  704    HA   THR  96           HA       THR  96   9.474  -1.378   7.739
  705    HB   THR  96           HB       THR  96   6.755  -2.087   8.400
  706    HG1  THR  96           HG1      THR  96   9.100  -1.731   9.986
  707   HG21  THR  96          HG21      THR  96   7.444  -4.394   8.192
  708   HG22  THR  96          HG22      THR  96   7.217  -3.983   9.894
  709   HG23  THR  96          HG23      THR  96   8.844  -4.099   9.222
  710    H    ARG  97           HN       ARG  97   7.531  -3.520   5.729
  711    HA   ARG  97           HA       ARG  97   9.186  -5.790   6.069
  712    HB2  ARG  97           HB2      ARG  97   7.016  -5.092   4.131
  713    HB3  ARG  97           HB1      ARG  97   7.916  -6.594   3.996
  714    HG2  ARG  97           HG2      ARG  97   6.479  -5.736   6.476
  715    HG3  ARG  97           HG1      ARG  97   5.762  -6.774   5.243
  716    HD2  ARG  97           HD2      ARG  97   7.474  -8.426   5.595
  717    HD3  ARG  97           HD1      ARG  97   8.320  -7.375   6.721
  718    HE   ARG  97           HE       ARG  97   5.622  -7.992   7.508
  719   HH11  ARG  97          HH11      ARG  97   8.955  -9.045   7.576
  720   HH12  ARG  97          HH12      ARG  97   8.759 -10.001   9.011
  721   HH21  ARG  97          HH21      ARG  97   5.356  -9.249   9.406
  722   HH22  ARG  97          HH22      ARG  97   6.719 -10.107  10.057
  723    H    LEU  98           HN       LEU  98   9.373  -3.058   3.998
  724    HA   LEU  98           HA       LEU  98  10.984  -3.853   1.952
  725    HB2  LEU  98           HB2      LEU  98  10.619  -1.413   3.429
  726    HB3  LEU  98           HB1      LEU  98  12.292  -1.590   2.971
  727    HG   LEU  98           HG       LEU  98  11.740  -0.665   1.022
  728   HD11  LEU  98          HD11      LEU  98  10.073  -3.119   0.497
  729   HD12  LEU  98          HD12      LEU  98  11.831  -3.057   0.349
  730   HD13  LEU  98          HD13      LEU  98  10.823  -2.058  -0.696
  731   HD21  LEU  98          HD21      LEU  98   8.860  -1.279   1.609
  732   HD22  LEU  98          HD22      LEU  98   9.468  -0.210   0.342
  733   HD23  LEU  98          HD23      LEU  98   9.711   0.204   2.040
  734    H    THR  99           HN       THR  99  12.035  -3.172   5.246
  735    HA   THR  99           HA       THR  99  14.656  -4.303   4.680
  736    HB   THR  99           HB       THR  99  14.988  -2.391   5.918
  737    HG1  THR  99           HG1      THR  99  16.078  -3.310   7.454
  738   HG21  THR  99          HG21      THR  99  12.623  -1.907   6.348
  739   HG22  THR  99          HG22      THR  99  13.614  -1.632   7.784
  740   HG23  THR  99          HG23      THR  99  12.624  -3.087   7.662
  741    H    GLN 100           HN       GLN 100  11.895  -4.814   6.837
  742    HA   GLN 100           HA       GLN 100  12.927  -7.195   8.010
  743    HB2  GLN 100           HB2      GLN 100  10.094  -6.195   7.890
  744    HB3  GLN 100           HB1      GLN 100  10.692  -7.445   8.965
  745    HG2  GLN 100           HG2      GLN 100  11.693  -4.612   8.961
  746    HG3  GLN 100           HG1      GLN 100  10.405  -5.206  10.007
  747   HE21  GLN 100          HE21      GLN 100  13.808  -5.286   9.316
  748   HE22  GLN 100          HE22      GLN 100  14.295  -6.038  10.797
  749    H    SER 101           HN       SER 101  13.476  -8.054   5.749
  750    HA   SER 101           HA       SER 101  11.629 -10.167   5.184
  751    HB2  SER 101           HB2      SER 101  10.615  -8.418   3.826
  752    HB3  SER 101           HB1      SER 101  12.154  -8.097   3.038
  753    HG   SER 101           HG       SER 101  11.626  -9.597   1.677
  754    H    HIS 102           HN       HIS 102  12.477 -11.454   3.260
  755    HA   HIS 102           HA       HIS 102  15.308 -11.302   2.830
  756    HB2  HIS 102           HB2      HIS 102  15.777 -13.602   3.658
  757    HB3  HIS 102           HB1      HIS 102  15.405 -12.466   4.927
  758    HD1  HIS 102           HD1      HIS 102  14.831 -15.811   4.240
  759    HD2  HIS 102           HD2      HIS 102  12.331 -12.688   5.334
  760    HE1  HIS 102           HE1      HIS 102  12.803 -16.900   5.247
  761    HE2  HIS 102           HE2      HIS 102  11.372 -14.990   6.048
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   6.716   0.826 -12.289
    2    H2   GLY   1           HT2      GLY   1   5.032   0.669 -12.267
    3    H3   GLY   1           HT3      GLY   1   5.892   0.356 -13.687
    4    HA2  GLY   1           HA1      GLY   1   6.042  -1.219 -11.182
    5    HA3  GLY   1           HA2      GLY   1   5.219  -1.708 -12.657
    6    H    ALA   2           HN       ALA   2   7.035  -3.424 -11.734
    7    HA   ALA   2           HA       ALA   2   9.068  -3.447 -13.756
    8    HB1  ALA   2           HB1      ALA   2  10.129  -1.945 -12.153
    9    HB2  ALA   2           HB2      ALA   2  10.979  -3.489 -12.211
   10    HB3  ALA   2           HB3      ALA   2   9.894  -3.130 -10.870
   11    H    ALA   3           HN       ALA   3  10.592  -5.409 -13.294
   12    HA   ALA   3           HA       ALA   3   9.117  -7.767 -12.848
   13    HB1  ALA   3           HB1      ALA   3  11.171  -8.921 -12.981
   14    HB2  ALA   3           HB2      ALA   3  12.082  -7.531 -12.387
   15    HB3  ALA   3           HB3      ALA   3  11.387  -7.506 -14.017
   16    H    SER   4           HN       SER   4  11.863  -6.744 -10.933
   17    HA   SER   4           HA       SER   4  10.590  -7.618  -8.481
   18    HB2  SER   4           HB2      SER   4  13.037  -6.883  -7.743
   19    HB3  SER   4           HB1      SER   4  12.736  -8.443  -8.489
   20    HG   SER   4           HG       SER   4  13.590  -6.065  -9.795
   21    H    ALA   5           HN       ALA   5   9.054  -5.920  -8.270
   22    HA   ALA   5           HA       ALA   5   9.854  -3.193  -8.560
   23    HB1  ALA   5           HB1      ALA   5   7.580  -2.654  -7.927
   24    HB2  ALA   5           HB2      ALA   5   7.306  -4.320  -7.420
   25    HB3  ALA   5           HB3      ALA   5   7.599  -3.953  -9.120
   26    H    ALA   6           HN       ALA   6  10.375  -5.333  -6.048
   27    HA   ALA   6           HA       ALA   6   9.965  -3.444  -3.896
   28    HB1  ALA   6           HB1      ALA   6  11.098  -5.140  -2.507
   29    HB2  ALA   6           HB2      ALA   6  11.397  -6.102  -3.957
   30    HB3  ALA   6           HB3      ALA   6   9.742  -5.802  -3.418
   31    H    THR   7           HN       THR   7  12.304  -4.047  -6.252
   32    HA   THR   7           HA       THR   7  14.263  -2.477  -4.742
   33    HB   THR   7           HB       THR   7  15.176  -4.558  -5.613
   34    HG1  THR   7           HG1      THR   7  16.106  -2.075  -6.502
   35   HG21  THR   7          HG21      THR   7  14.505  -3.449  -8.334
   36   HG22  THR   7          HG22      THR   7  13.794  -4.881  -7.586
   37   HG23  THR   7          HG23      THR   7  15.501  -4.873  -8.038
   38    H    ASP   8           HN       ASP   8  11.718  -2.036  -6.726
   39    HA   ASP   8           HA       ASP   8  12.868   0.301  -8.057
   40    HB2  ASP   8           HB2      ASP   8  10.739  -1.531  -8.715
   41    HB3  ASP   8           HB1      ASP   8  10.119   0.109  -8.560
   42    H    LEU   9           HN       LEU   9  10.591  -0.886  -5.749
   43    HA   LEU   9           HA       LEU   9   9.297   1.561  -5.190
   44    HB2  LEU   9           HB2      LEU   9   8.248  -0.468  -4.518
   45    HB3  LEU   9           HB1      LEU   9   9.652  -0.970  -3.605
   46    HG   LEU   9           HG       LEU   9   9.322   1.060  -2.159
   47   HD11  LEU   9          HD11      LEU   9   7.912   2.325  -3.666
   48   HD12  LEU   9          HD12      LEU   9   7.106   2.058  -2.112
   49   HD13  LEU   9          HD13      LEU   9   6.637   1.099  -3.517
   50   HD21  LEU   9          HD21      LEU   9   7.133  -0.995  -2.107
   51   HD22  LEU   9          HD22      LEU   9   7.731  -0.043  -0.751
   52   HD23  LEU   9          HD23      LEU   9   8.771  -1.242  -1.516
   53    H    ALA  10           HN       ALA  10  11.612  -0.356  -3.407
   54    HA   ALA  10           HA       ALA  10  12.461   1.586  -1.563
   55    HB1  ALA  10           HB1      ALA  10  13.005  -0.797  -1.355
   56    HB2  ALA  10           HB2      ALA  10  14.453   0.206  -1.266
   57    HB3  ALA  10           HB3      ALA  10  14.079  -0.674  -2.748
   58    H    ALA  11           HN       ALA  11  12.764   1.657  -4.886
   59    HA   ALA  11           HA       ALA  11  15.291   3.038  -5.010
   60    HB1  ALA  11           HB1      ALA  11  13.135   2.581  -7.059
   61    HB2  ALA  11           HB2      ALA  11  14.656   1.694  -6.897
   62    HB3  ALA  11           HB3      ALA  11  14.673   3.390  -7.381
   63    H    ARG  12           HN       ARG  12  11.785   3.810  -5.127
   64    HA   ARG  12           HA       ARG  12  12.080   6.603  -5.328
   65    HB2  ARG  12           HB2      ARG  12   9.994   4.770  -4.218
   66    HB3  ARG  12           HB1      ARG  12   9.812   6.499  -4.048
   67    HG2  ARG  12           HG2      ARG  12   8.546   5.976  -5.898
   68    HG3  ARG  12           HG1      ARG  12  10.069   6.527  -6.597
   69    HD2  ARG  12           HD2      ARG  12  10.728   4.388  -7.166
   70    HD3  ARG  12           HD1      ARG  12   9.635   3.653  -5.996
   71    HE   ARG  12           HE       ARG  12   7.896   4.764  -7.681
   72   HH11  ARG  12          HH11      ARG  12  10.763   2.879  -8.329
   73   HH12  ARG  12          HH12      ARG  12  10.154   2.201  -9.811
   74   HH21  ARG  12          HH21      ARG  12   7.074   3.883  -9.641
   75   HH22  ARG  12          HH22      ARG  12   8.054   2.781 -10.554
   76    H    LEU  13           HN       LEU  13  12.376   4.326  -2.755
   77    HA   LEU  13           HA       LEU  13  11.954   6.237  -0.634
   78    HB2  LEU  13           HB2      LEU  13  12.450   3.313  -0.808
   79    HB3  LEU  13           HB1      LEU  13  12.701   4.124   0.722
   80    HG   LEU  13           HG       LEU  13  10.400   4.758   0.856
   81   HD11  LEU  13          HD11      LEU  13   8.829   3.856  -0.956
   82   HD12  LEU  13          HD12      LEU  13  10.277   3.928  -1.980
   83   HD13  LEU  13          HD13      LEU  13   9.671   5.389  -1.184
   84   HD21  LEU  13          HD21      LEU  13  10.925   2.502   1.574
   85   HD22  LEU  13          HD22      LEU  13  10.578   1.909  -0.051
   86   HD23  LEU  13          HD23      LEU  13   9.289   2.613   0.925
   87    H    ASN  14           HN       ASN  14  14.535   4.220  -1.819
   88    HA   ASN  14           HA       ASN  14  16.634   5.036  -0.230
   89    HB2  ASN  14           HB2      ASN  14  16.274   3.959  -2.951
   90    HB3  ASN  14           HB1      ASN  14  17.857   4.687  -2.619
   91   HD21  ASN  14          HD21      ASN  14  17.121   1.922  -3.155
   92   HD22  ASN  14          HD22      ASN  14  17.635   0.996  -1.789
   93    H    GLY  15           HN       GLY  15  17.612   6.897   0.090
   94    HA2  GLY  15           HA2      GLY  15  18.575   8.955  -0.686
   95    HA3  GLY  15           HA1      GLY  15  17.347   9.013  -1.944
   96    H    LEU  16           HN       LEU  16  15.486   8.027   0.316
   97    HA   LEU  16           HA       LEU  16  14.852  10.724   1.281
   98    HB2  LEU  16           HB2      LEU  16  13.170   8.292   0.780
   99    HB3  LEU  16           HB1      LEU  16  12.595   9.602   1.779
  100    HG   LEU  16           HG       LEU  16  13.420   9.870  -1.107
  101   HD11  LEU  16          HD11      LEU  16  11.011  10.157  -1.517
  102   HD12  LEU  16          HD12      LEU  16  10.686   9.757   0.169
  103   HD13  LEU  16          HD13      LEU  16  11.389   8.548  -0.905
  104   HD21  LEU  16          HD21      LEU  16  12.218  12.069  -0.789
  105   HD22  LEU  16          HD22      LEU  16  13.785  11.906   0.002
  106   HD23  LEU  16          HD23      LEU  16  12.300  11.749   0.951
  107    H    SER  17           HN       SER  17  13.854  10.861   3.387
  108    HA   SER  17           HA       SER  17  15.037   9.155   5.404
  109    HB2  SER  17           HB2      SER  17  13.151  11.510   5.558
  110    HB3  SER  17           HB1      SER  17  13.864  10.709   6.947
  111    HG   SER  17           HG       SER  17  15.712  11.434   5.061
  112    HA   PRO  18           HA       PRO  18  12.091   5.983   6.274
  113    HB2  PRO  18           HB2      PRO  18  11.717   7.665   8.712
  114    HB3  PRO  18           HB1      PRO  18  11.873   5.912   8.575
  115    HG2  PRO  18           HG2      PRO  18  13.943   7.616   9.163
  116    HG3  PRO  18           HG1      PRO  18  14.148   6.002   8.487
  117    HD2  PRO  18           HD2      PRO  18  14.766   8.516   7.292
  118    HD3  PRO  18           HD1      PRO  18  14.892   6.906   6.555
  119    H    GLN  19           HN       GLN  19  10.867   9.130   7.483
  120    HA   GLN  19           HA       GLN  19   8.129   8.430   7.142
  121    HB2  GLN  19           HB2      GLN  19   9.007  10.184   8.703
  122    HB3  GLN  19           HB1      GLN  19   9.304  11.203   7.303
  123    HG2  GLN  19           HG2      GLN  19   7.252  11.925   8.150
  124    HG3  GLN  19           HG1      GLN  19   6.869  10.922   6.752
  125   HE21  GLN  19          HE21      GLN  19   7.862   9.559   9.807
  126   HE22  GLN  19          HE22      GLN  19   6.327   8.873  10.211
  127    H    GLN  20           HN       GLN  20  10.438  10.098   5.059
  128    HA   GLN  20           HA       GLN  20   8.484  10.961   3.150
  129    HB2  GLN  20           HB2      GLN  20  11.474  10.663   3.043
  130    HB3  GLN  20           HB1      GLN  20  10.533  11.156   1.636
  131    HG2  GLN  20           HG2      GLN  20   9.589  12.998   3.121
  132    HG3  GLN  20           HG1      GLN  20  10.888  12.583   4.224
  133   HE21  GLN  20          HE21      GLN  20  12.991  13.091   3.710
  134   HE22  GLN  20          HE22      GLN  20  13.401  14.137   2.397
  135    H    GLN  21           HN       GLN  21  10.709   8.290   3.481
  136    HA   GLN  21           HA       GLN  21  10.125   6.841   1.183
  137    HB2  GLN  21           HB2      GLN  21  10.825   5.950   3.989
  138    HB3  GLN  21           HB1      GLN  21  10.763   4.850   2.623
  139    HG2  GLN  21           HG2      GLN  21  12.510   6.119   1.514
  140    HG3  GLN  21           HG1      GLN  21  12.572   7.247   2.869
  141   HE21  GLN  21          HE21      GLN  21  12.094   3.799   3.234
  142   HE22  GLN  21          HE22      GLN  21  13.631   3.462   3.945
  143    H    GLN  22           HN       GLN  22   8.528   7.049   4.282
  144    HA   GLN  22           HA       GLN  22   6.560   5.079   3.829
  145    HB2  GLN  22           HB2      GLN  22   7.361   6.404   5.995
  146    HB3  GLN  22           HB1      GLN  22   5.977   7.383   5.585
  147    HG2  GLN  22           HG2      GLN  22   4.678   5.206   5.515
  148    HG3  GLN  22           HG1      GLN  22   6.107   4.528   6.274
  149   HE21  GLN  22          HE21      GLN  22   5.010   7.744   6.967
  150   HE22  GLN  22          HE22      GLN  22   4.515   7.427   8.592
  151    H    GLN  23           HN       GLN  23   6.628   8.575   3.360
  152    HA   GLN  23           HA       GLN  23   4.038   9.055   2.563
  153    HB2  GLN  23           HB2      GLN  23   6.567  10.264   1.584
  154    HB3  GLN  23           HB1      GLN  23   4.976  10.949   1.291
  155    HG2  GLN  23           HG2      GLN  23   4.623  11.299   3.615
  156    HG3  GLN  23           HG1      GLN  23   6.082  10.424   4.027
  157   HE21  GLN  23          HE21      GLN  23   5.356  13.099   4.767
  158   HE22  GLN  23          HE22      GLN  23   6.567  14.150   4.123
  159    H    THR  24           HN       THR  24   6.740   7.944   0.572
  160    HA   THR  24           HA       THR  24   5.494   8.084  -1.928
  161    HB   THR  24           HB       THR  24   7.642   6.350  -0.770
  162    HG1  THR  24           HG1      THR  24   7.762   8.702  -1.534
  163   HG21  THR  24          HG21      THR  24   8.072   5.369  -2.947
  164   HG22  THR  24          HG22      THR  24   6.732   6.272  -3.655
  165   HG23  THR  24          HG23      THR  24   6.410   5.004  -2.470
  166    H    LEU  25           HN       LEU  25   5.471   5.487   0.500
  167    HA   LEU  25           HA       LEU  25   3.702   3.797  -1.045
  168    HB2  LEU  25           HB2      LEU  25   4.314   3.853   1.894
  169    HB3  LEU  25           HB1      LEU  25   3.437   2.583   1.073
  170    HG   LEU  25           HG       LEU  25   6.219   3.220   0.209
  171   HD11  LEU  25          HD11      LEU  25   5.521   1.445   2.545
  172   HD12  LEU  25          HD12      LEU  25   6.180   3.075   2.696
  173   HD13  LEU  25          HD13      LEU  25   7.131   1.806   1.915
  174   HD21  LEU  25          HD21      LEU  25   6.193   0.789  -0.221
  175   HD22  LEU  25          HD22      LEU  25   4.927   1.645  -1.095
  176   HD23  LEU  25          HD23      LEU  25   4.530   0.724   0.357
  177    H    ALA  26           HN       ALA  26   3.495   6.075   1.589
  178    HA   ALA  26           HA       ALA  26   0.726   5.878   2.065
  179    HB1  ALA  26           HB1      ALA  26   1.072   7.653   3.574
  180    HB2  ALA  26           HB2      ALA  26   2.396   8.318   2.613
  181    HB3  ALA  26           HB3      ALA  26   2.637   6.823   3.519
  182    H    THR  27           HN       THR  27   2.073   6.728  -0.649
  183    HA   THR  27           HA       THR  27  -0.037   8.603  -1.408
  184    HB   THR  27           HB       THR  27   2.856   8.422  -2.210
  185    HG1  THR  27           HG1      THR  27   2.548   9.937  -0.680
  186   HG21  THR  27          HG21      THR  27   0.723   9.843  -3.795
  187   HG22  THR  27          HG22      THR  27   1.588   8.380  -4.289
  188   HG23  THR  27          HG23      THR  27   2.463   9.902  -4.088
  189    H    LEU  28           HN       LEU  28   2.180   6.099  -2.444
  190    HA   LEU  28           HA       LEU  28   0.912   5.394  -4.825
  191    HB2  LEU  28           HB2      LEU  28   3.111   4.782  -4.776
  192    HB3  LEU  28           HB1      LEU  28   3.023   4.279  -3.102
  193    HG   LEU  28           HG       LEU  28   1.376   2.487  -4.176
  194   HD11  LEU  28          HD11      LEU  28   3.484   2.794  -6.283
  195   HD12  LEU  28          HD12      LEU  28   1.847   3.427  -6.442
  196   HD13  LEU  28          HD13      LEU  28   2.101   1.687  -6.271
  197   HD21  LEU  28          HD21      LEU  28   3.082   1.911  -2.680
  198   HD22  LEU  28          HD22      LEU  28   4.347   2.350  -3.838
  199   HD23  LEU  28          HD23      LEU  28   3.327   0.939  -4.136
  200    H    VAL  29           HN       VAL  29   0.870   4.048  -1.605
  201    HA   VAL  29           HA       VAL  29  -0.714   1.791  -2.201
  202    HB   VAL  29           HB       VAL  29  -0.177   3.275   0.367
  203   HG11  VAL  29          HG11      VAL  29  -1.651   0.654   0.072
  204   HG12  VAL  29          HG12      VAL  29  -2.406   2.201   0.461
  205   HG13  VAL  29          HG13      VAL  29  -1.249   1.475   1.581
  206   HG21  VAL  29          HG21      VAL  29   0.710   0.555  -0.582
  207   HG22  VAL  29          HG22      VAL  29   1.247   1.403   0.869
  208   HG23  VAL  29          HG23      VAL  29   1.664   2.030  -0.730
  209    H    ALA  30           HN       ALA  30  -1.361   5.062  -1.315
  210    HA   ALA  30           HA       ALA  30  -4.187   4.763  -1.098
  211    HB1  ALA  30           HB1      ALA  30  -2.950   6.531   0.033
  212    HB2  ALA  30           HB2      ALA  30  -4.201   7.173  -1.035
  213    HB3  ALA  30           HB3      ALA  30  -2.512   7.206  -1.536
  214    H    ALA  31           HN       ALA  31  -1.893   5.623  -3.542
  215    HA   ALA  31           HA       ALA  31  -3.651   6.377  -5.598
  216    HB1  ALA  31           HB1      ALA  31  -1.322   6.864  -5.785
  217    HB2  ALA  31           HB2      ALA  31  -1.695   5.703  -7.062
  218    HB3  ALA  31           HB3      ALA  31  -0.886   5.171  -5.582
  219    H    ALA  32           HN       ALA  32  -2.238   3.334  -4.612
  220    HA   ALA  32           HA       ALA  32  -3.454   1.555  -6.334
  221    HB1  ALA  32           HB1      ALA  32  -1.794   0.748  -4.900
  222    HB2  ALA  32           HB2      ALA  32  -3.277   0.008  -4.289
  223    HB3  ALA  32           HB3      ALA  32  -2.583   1.417  -3.473
  224    H    THR  33           HN       THR  33  -4.679   2.803  -3.197
  225    HA   THR  33           HA       THR  33  -7.177   1.394  -3.507
  226    HB   THR  33           HB       THR  33  -6.664   3.716  -1.641
  227    HG1  THR  33           HG1      THR  33  -4.999   2.061  -1.466
  228   HG21  THR  33          HG21      THR  33  -8.232   2.338  -0.206
  229   HG22  THR  33          HG22      THR  33  -8.536   1.354  -1.642
  230   HG23  THR  33          HG23      THR  33  -8.946   3.068  -1.643
  231    H    ALA  34           HN       ALA  34  -5.912   4.441  -4.523
  232    HA   ALA  34           HA       ALA  34  -8.380   5.721  -5.038
  233    HB1  ALA  34           HB1      ALA  34  -5.736   6.137  -6.433
  234    HB2  ALA  34           HB2      ALA  34  -6.217   6.905  -4.918
  235    HB3  ALA  34           HB3      ALA  34  -7.105   7.253  -6.405
  236    H    THR  35           HN       THR  35  -6.471   3.342  -6.671
  237    HA   THR  35           HA       THR  35  -7.868   3.398  -9.140
  238    HB   THR  35           HB       THR  35  -5.850   1.688  -7.807
  239    HG1  THR  35           HG1      THR  35  -6.025   3.339  -9.932
  240   HG21  THR  35          HG21      THR  35  -6.102  -0.155  -9.322
  241   HG22  THR  35          HG22      THR  35  -7.458   0.641 -10.124
  242   HG23  THR  35          HG23      THR  35  -7.619   0.101  -8.448
  243    H    VAL  36           HN       VAL  36  -8.003   1.337  -6.235
  244    HA   VAL  36           HA       VAL  36  -9.815  -0.530  -7.205
  245    HB   VAL  36           HB       VAL  36 -10.298  -1.061  -4.832
  246   HG11  VAL  36          HG11      VAL  36  -7.968  -1.665  -4.210
  247   HG12  VAL  36          HG12      VAL  36  -7.446  -0.807  -5.664
  248   HG13  VAL  36          HG13      VAL  36  -8.507  -2.213  -5.794
  249   HG21  VAL  36          HG21      VAL  36  -8.816   1.436  -4.392
  250   HG22  VAL  36          HG22      VAL  36  -8.677   0.123  -3.224
  251   HG23  VAL  36          HG23      VAL  36 -10.258   0.812  -3.589
  252    H    LEU  37           HN       LEU  37 -10.417   2.641  -5.853
  253    HA   LEU  37           HA       LEU  37 -13.281   2.049  -5.667
  254    HB2  LEU  37           HB2      LEU  37 -11.931   4.590  -4.838
  255    HB3  LEU  37           HB1      LEU  37 -13.456   3.935  -4.279
  256    HG   LEU  37           HG       LEU  37 -10.796   2.651  -3.723
  257   HD11  LEU  37          HD11      LEU  37 -12.395   4.515  -1.990
  258   HD12  LEU  37          HD12      LEU  37 -10.856   4.874  -2.774
  259   HD13  LEU  37          HD13      LEU  37 -10.937   3.641  -1.518
  260   HD21  LEU  37          HD21      LEU  37 -12.677   1.146  -3.589
  261   HD22  LEU  37          HD22      LEU  37 -13.541   2.279  -2.552
  262   HD23  LEU  37          HD23      LEU  37 -12.073   1.495  -1.969
  263    H    GLY  38           HN       GLY  38 -11.291   3.079  -8.030
  264    HA2  GLY  38           HA2      GLY  38 -11.574   4.320  -9.942
  265    HA3  GLY  38           HA1      GLY  38 -13.288   4.350  -9.565
  266    H    HIS  39           HN       HIS  39 -10.608   5.676  -7.675
  267    HA   HIS  39           HA       HIS  39 -11.896   8.317  -7.859
  268    HB2  HIS  39           HB2      HIS  39 -10.165   7.036  -5.762
  269    HB3  HIS  39           HB1      HIS  39 -10.303   8.786  -5.849
  270    HD1  HIS  39           HD1      HIS  39 -11.692   9.285  -3.824
  271    HD2  HIS  39           HD2      HIS  39 -13.308   6.231  -6.143
  272    HE1  HIS  39           HE1      HIS  39 -13.932   8.768  -2.807
  273    HE2  HIS  39           HE2      HIS  39 -14.954   7.038  -4.320
  274    H    HIS  40           HN       HIS  40  -8.886   6.601  -8.252
  275    HA   HIS  40           HA       HIS  40  -6.969   7.032  -9.350
  276    HB2  HIS  40           HB2      HIS  40  -8.392   7.936 -11.154
  277    HB3  HIS  40           HB1      HIS  40  -8.325   9.524 -10.398
  278    HD1  HIS  40           HD1      HIS  40  -7.090  10.697 -12.287
  279    HD2  HIS  40           HD2      HIS  40  -5.104   7.318 -10.904
  280    HE1  HIS  40           HE1      HIS  40  -4.813  10.771 -13.345
  281    HE2  HIS  40           HE2      HIS  40  -3.570   8.825 -12.340
  282    H    THR  41           HN       THR  41  -8.328   9.704  -7.517
  283    HA   THR  41           HA       THR  41  -5.756  10.937  -7.101
  284    HB   THR  41           HB       THR  41  -7.147  12.253  -5.373
  285    HG1  THR  41           HG1      THR  41  -9.431  12.245  -6.119
  286   HG21  THR  41          HG21      THR  41  -8.098  13.665  -7.184
  287   HG22  THR  41          HG22      THR  41  -7.586  12.433  -8.338
  288   HG23  THR  41          HG23      THR  41  -6.385  13.288  -7.364
  289    HA   PRO  42           HA       PRO  42  -4.993   8.564  -3.340
  290    HB2  PRO  42           HB2      PRO  42  -2.443   9.940  -3.278
  291    HB3  PRO  42           HB1      PRO  42  -2.762   8.229  -3.556
  292    HG2  PRO  42           HG2      PRO  42  -1.817   9.898  -5.493
  293    HG3  PRO  42           HG1      PRO  42  -2.809   8.467  -5.829
  294    HD2  PRO  42           HD2      PRO  42  -3.634  11.346  -5.694
  295    HD3  PRO  42           HD1      PRO  42  -4.118  10.093  -6.853
  296    H    GLU  43           HN       GLU  43  -5.013  11.889  -4.081
  297    HA   GLU  43           HA       GLU  43  -4.638  12.965  -1.486
  298    HB2  GLU  43           HB2      GLU  43  -6.082  14.102  -3.871
  299    HB3  GLU  43           HB1      GLU  43  -5.603  15.014  -2.444
  300    HG2  GLU  43           HG2      GLU  43  -3.280  14.591  -2.935
  301    HG3  GLU  43           HG1      GLU  43  -3.753  13.571  -4.288
  302    H    SER  44           HN       SER  44  -7.343  11.794  -3.338
  303    HA   SER  44           HA       SER  44  -9.310  12.586  -1.404
  304    HB2  SER  44           HB2      SER  44 -10.252  12.600  -3.491
  305    HB3  SER  44           HB1      SER  44  -9.317  11.221  -4.050
  306    HG   SER  44           HG       SER  44 -11.389  11.026  -2.115
  307    H    ILE  45           HN       ILE  45  -7.223   9.951  -1.924
  308    HA   ILE  45           HA       ILE  45  -8.694   8.089  -0.259
  309    HB   ILE  45           HB       ILE  45  -5.882   7.898  -1.322
  310   HG12  ILE  45          HG12      ILE  45  -7.462   8.077  -3.151
  311   HG13  ILE  45          HG11      ILE  45  -6.838   6.438  -3.047
  312   HG21  ILE  45          HG21      ILE  45  -7.686   5.721  -0.273
  313   HG22  ILE  45          HG22      ILE  45  -6.330   6.431   0.608
  314   HG23  ILE  45          HG23      ILE  45  -6.039   5.525  -0.877
  315   HD11  ILE  45          HD11      ILE  45  -9.506   7.332  -2.007
  316   HD12  ILE  45          HD12      ILE  45  -8.881   5.683  -2.026
  317   HD13  ILE  45          HD13      ILE  45  -9.224   6.515  -3.542
  318    H    SER  46           HN       SER  46  -8.812   9.188   1.749
  319    HA   SER  46           HA       SER  46  -6.502  10.219   3.037
  320    HB2  SER  46           HB2      SER  46  -8.991   9.293   4.432
  321    HB3  SER  46           HB1      SER  46  -7.878  10.555   4.930
  322    HG   SER  46           HG       SER  46 -10.020  10.700   3.254
  323    HA   PRO  47           HA       PRO  47  -4.772   6.450   4.373
  324    HB2  PRO  47           HB2      PRO  47  -2.870   7.376   5.958
  325    HB3  PRO  47           HB1      PRO  47  -2.928   7.902   4.277
  326    HG2  PRO  47           HG2      PRO  47  -3.756   9.349   6.740
  327    HG3  PRO  47           HG1      PRO  47  -2.997   9.981   5.275
  328    HD2  PRO  47           HD2      PRO  47  -5.758   9.995   5.909
  329    HD3  PRO  47           HD1      PRO  47  -5.026  10.406   4.336
  330    H    ALA  48           HN       ALA  48  -6.663   8.257   6.381
  331    HA   ALA  48           HA       ALA  48  -6.258   6.445   8.629
  332    HB1  ALA  48           HB1      ALA  48  -5.303   8.736   8.864
  333    HB2  ALA  48           HB2      ALA  48  -6.430   8.247  10.138
  334    HB3  ALA  48           HB3      ALA  48  -6.961   9.345   8.862
  335    H    THR  49           HN       THR  49  -8.293   7.257   6.274
  336    HA   THR  49           HA       THR  49 -10.807   7.419   7.559
  337    HB   THR  49           HB       THR  49  -9.891   6.756   4.778
  338    HG1  THR  49           HG1      THR  49 -11.621   8.815   5.032
  339   HG21  THR  49          HG21      THR  49 -12.200   6.708   4.049
  340   HG22  THR  49          HG22      THR  49 -12.747   6.892   5.716
  341   HG23  THR  49          HG23      THR  49 -11.881   5.433   5.227
  342    H    ALA  50           HN       ALA  50  -8.936   4.867   6.111
  343    HA   ALA  50           HA       ALA  50  -8.737   2.644   6.761
  344    HB1  ALA  50           HB1      ALA  50 -10.193   2.834   8.720
  345    HB2  ALA  50           HB2      ALA  50 -10.541   1.384   7.775
  346    HB3  ALA  50           HB3      ALA  50 -11.608   2.788   7.665
  347    H    PHE  51           HN       PHE  51  -8.860   1.068   5.415
  348    HA   PHE  51           HA       PHE  51  -9.789   1.376   2.831
  349    HB2  PHE  51           HB2      PHE  51  -9.166  -1.082   4.444
  350    HB3  PHE  51           HB1      PHE  51  -9.526  -1.147   2.718
  351    HD1  PHE  51           HD1      PHE  51  -8.195   1.105   1.616
  352    HD2  PHE  51           HD2      PHE  51  -6.957  -1.463   4.749
  353    HE1  PHE  51           HE1      PHE  51  -5.856   1.630   1.106
  354    HE2  PHE  51           HE2      PHE  51  -4.606  -0.951   4.262
  355    HZ   PHE  51           HZ       PHE  51  -4.057   0.640   2.430
  356    H    LYS  52           HN       LYS  52 -11.266  -0.428   5.488
  357    HA   LYS  52           HA       LYS  52 -13.557  -1.335   4.305
  358    HB2  LYS  52           HB2      LYS  52 -13.195  -0.120   7.055
  359    HB3  LYS  52           HB1      LYS  52 -14.581  -1.091   6.568
  360    HG2  LYS  52           HG2      LYS  52 -13.020  -2.967   6.119
  361    HG3  LYS  52           HG1      LYS  52 -11.708  -1.972   6.737
  362    HD2  LYS  52           HD2      LYS  52 -14.151  -2.793   8.285
  363    HD3  LYS  52           HD1      LYS  52 -12.574  -3.565   8.412
  364    HE2  LYS  52           HE2      LYS  52 -11.645  -1.354   9.102
  365    HE3  LYS  52           HE1      LYS  52 -13.296  -0.736   9.122
  366    HZ1  LYS  52           HZ1      LYS  52 -12.245  -2.948  10.800
  367    HZ2  LYS  52           HZ2      LYS  52 -13.847  -2.409  10.793
  368    HZ3  LYS  52           HZ3      LYS  52 -12.612  -1.384  11.327
  369    H    ASP  53           HN       ASP  53 -12.855   1.816   5.675
  370    HA   ASP  53           HA       ASP  53 -15.505   2.814   5.198
  371    HB2  ASP  53           HB2      ASP  53 -12.988   4.078   6.311
  372    HB3  ASP  53           HB1      ASP  53 -14.497   4.973   6.086
  373    H    LEU  54           HN       LEU  54 -12.874   2.350   3.314
  374    HA   LEU  54           HA       LEU  54 -13.130   4.766   1.704
  375    HB2  LEU  54           HB2      LEU  54 -11.180   2.519   1.872
  376    HB3  LEU  54           HB1      LEU  54 -11.262   3.440   0.391
  377    HG   LEU  54           HG       LEU  54 -10.837   4.727   3.083
  378   HD11  LEU  54          HD11      LEU  54  -8.786   3.717   1.131
  379   HD12  LEU  54          HD12      LEU  54  -9.035   3.174   2.793
  380   HD13  LEU  54          HD13      LEU  54  -8.446   4.808   2.474
  381   HD21  LEU  54          HD21      LEU  54 -10.330   5.609   0.255
  382   HD22  LEU  54          HD22      LEU  54  -9.899   6.525   1.700
  383   HD23  LEU  54          HD23      LEU  54 -11.594   6.205   1.330
  384    H    GLY  55           HN       GLY  55 -13.978   1.401   1.686
  385    HA2  GLY  55           HA2      GLY  55 -15.866   0.927   0.110
  386    HA3  GLY  55           HA1      GLY  55 -14.859   1.675  -1.121
  387    H    ILE  56           HN       ILE  56 -12.815   0.123   0.890
  388    HA   ILE  56           HA       ILE  56 -12.244  -2.023  -0.848
  389    HB   ILE  56           HB       ILE  56 -11.449  -1.464   2.000
  390   HG12  ILE  56          HG12      ILE  56 -10.145  -0.049   0.812
  391   HG13  ILE  56          HG11      ILE  56  -9.156  -1.486   0.702
  392   HG21  ILE  56          HG21      ILE  56 -10.958  -3.866   0.367
  393   HG22  ILE  56          HG22      ILE  56 -11.297  -3.709   2.094
  394   HG23  ILE  56          HG23      ILE  56  -9.702  -3.287   1.459
  395   HD11  ILE  56          HD11      ILE  56 -10.240  -1.954  -1.505
  396   HD12  ILE  56          HD12      ILE  56  -9.207  -0.529  -1.439
  397   HD13  ILE  56          HD13      ILE  56 -10.959  -0.342  -1.396
  398    H    ASP  57           HN       ASP  57 -13.255  -3.886  -1.094
  399    HA   ASP  57           HA       ASP  57 -14.741  -5.061   1.120
  400    HB2  ASP  57           HB2      ASP  57 -16.002  -3.922  -1.316
  401    HB3  ASP  57           HB1      ASP  57 -16.608  -5.481  -0.768
  402    H    SER  58           HN       SER  58 -12.861  -6.453   0.860
  403    HA   SER  58           HA       SER  58 -11.984  -8.477   0.362
  404    HB2  SER  58           HB2      SER  58 -14.462  -9.016  -1.207
  405    HB3  SER  58           HB1      SER  58 -13.355 -10.209  -0.555
  406    HG   SER  58           HG       SER  58 -14.562  -8.366   1.186
  407    H    LEU  59           HN       LEU  59 -13.758  -7.785  -2.631
  408    HA   LEU  59           HA       LEU  59 -11.792  -8.815  -4.357
  409    HB2  LEU  59           HB2      LEU  59 -13.947  -6.769  -4.833
  410    HB3  LEU  59           HB1      LEU  59 -12.940  -7.419  -6.097
  411    HG   LEU  59           HG       LEU  59 -13.883  -9.640  -5.768
  412   HD11  LEU  59          HD11      LEU  59 -15.752 -10.019  -4.268
  413   HD12  LEU  59          HD12      LEU  59 -15.615  -8.367  -3.662
  414   HD13  LEU  59          HD13      LEU  59 -14.316  -9.524  -3.369
  415   HD21  LEU  59          HD21      LEU  59 -16.168  -9.129  -6.508
  416   HD22  LEU  59          HD22      LEU  59 -14.958  -8.131  -7.316
  417   HD23  LEU  59          HD23      LEU  59 -15.928  -7.453  -6.009
  418    H    THR  60           HN       THR  60 -12.563  -5.516  -3.385
  419    HA   THR  60           HA       THR  60 -10.422  -4.435  -4.977
  420    HB   THR  60           HB       THR  60 -11.035  -2.320  -3.565
  421    HG1  THR  60           HG1      THR  60 -13.597  -3.059  -3.373
  422   HG21  THR  60          HG21      THR  60 -11.420  -2.643  -5.969
  423   HG22  THR  60          HG22      THR  60 -12.770  -1.800  -5.199
  424   HG23  THR  60          HG23      THR  60 -12.916  -3.510  -5.604
  425    H    ALA  61           HN       ALA  61 -10.796  -5.776  -1.896
  426    HA   ALA  61           HA       ALA  61  -8.485  -4.528  -0.716
  427    HB1  ALA  61           HB1      ALA  61  -8.678  -6.168   1.041
  428    HB2  ALA  61           HB2      ALA  61  -9.778  -7.147   0.064
  429    HB3  ALA  61           HB3      ALA  61 -10.291  -5.564   0.649
  430    H    LEU  62           HN       LEU  62  -9.181  -7.441  -2.582
  431    HA   LEU  62           HA       LEU  62  -6.474  -8.357  -2.492
  432    HB2  LEU  62           HB2      LEU  62  -8.824  -9.562  -2.981
  433    HB3  LEU  62           HB1      LEU  62  -8.316  -9.228  -4.616
  434    HG   LEU  62           HG       LEU  62  -7.516 -11.372  -4.306
  435   HD11  LEU  62          HD11      LEU  62  -5.660 -10.069  -5.077
  436   HD12  LEU  62          HD12      LEU  62  -5.067 -11.249  -3.901
  437   HD13  LEU  62          HD13      LEU  62  -5.272  -9.560  -3.433
  438   HD21  LEU  62          HD21      LEU  62  -6.715 -10.616  -1.506
  439   HD22  LEU  62          HD22      LEU  62  -6.522 -12.204  -2.245
  440   HD23  LEU  62          HD23      LEU  62  -8.137 -11.554  -1.962
  441    H    GLU  63           HN       GLU  63  -8.538  -6.562  -4.840
  442    HA   GLU  63           HA       GLU  63  -6.575  -6.382  -6.817
  443    HB2  GLU  63           HB2      GLU  63  -8.743  -5.947  -7.523
  444    HB3  GLU  63           HB1      GLU  63  -9.125  -5.010  -6.090
  445    HG2  GLU  63           HG2      GLU  63  -9.070  -3.488  -7.842
  446    HG3  GLU  63           HG1      GLU  63  -7.576  -3.292  -6.931
  447    H    LEU  64           HN       LEU  64  -7.392  -4.446  -3.965
  448    HA   LEU  64           HA       LEU  64  -5.588  -2.361  -4.177
  449    HB2  LEU  64           HB2      LEU  64  -7.143  -3.402  -2.123
  450    HB3  LEU  64           HB1      LEU  64  -5.498  -3.702  -1.580
  451    HG   LEU  64           HG       LEU  64  -6.649  -1.019  -2.301
  452   HD11  LEU  64          HD11      LEU  64  -7.529  -1.779  -0.210
  453   HD12  LEU  64          HD12      LEU  64  -6.269  -0.585   0.123
  454   HD13  LEU  64          HD13      LEU  64  -5.931  -2.307   0.325
  455   HD21  LEU  64          HD21      LEU  64  -3.936  -1.741  -1.215
  456   HD22  LEU  64          HD22      LEU  64  -4.522  -0.117  -1.583
  457   HD23  LEU  64          HD23      LEU  64  -4.262  -1.284  -2.886
  458    H    ARG  65           HN       ARG  65  -5.210  -5.624  -3.164
  459    HA   ARG  65           HA       ARG  65  -2.489  -5.542  -2.464
  460    HB2  ARG  65           HB2      ARG  65  -3.630  -7.403  -1.637
  461    HB3  ARG  65           HB1      ARG  65  -4.283  -7.811  -3.235
  462    HG2  ARG  65           HG2      ARG  65  -1.974  -8.259  -4.008
  463    HG3  ARG  65           HG1      ARG  65  -1.392  -7.956  -2.373
  464    HD2  ARG  65           HD2      ARG  65  -3.441 -10.022  -3.040
  465    HD3  ARG  65           HD1      ARG  65  -1.716 -10.333  -3.025
  466    HE   ARG  65           HE       ARG  65  -1.682 -10.242  -0.735
  467   HH11  ARG  65          HH11      ARG  65  -4.888  -9.412  -1.855
  468   HH12  ARG  65          HH12      ARG  65  -5.501  -9.082  -0.271
  469   HH21  ARG  65          HH21      ARG  65  -2.465  -9.783   1.337
  470   HH22  ARG  65          HH22      ARG  65  -4.108  -9.267   1.542
  471    H    ASN  66           HN       ASN  66  -4.190  -6.627  -5.320
  472    HA   ASN  66           HA       ASN  66  -2.062  -7.672  -6.689
  473    HB2  ASN  66           HB2      ASN  66  -4.757  -6.714  -7.372
  474    HB3  ASN  66           HB1      ASN  66  -3.629  -6.706  -8.719
  475   HD21  ASN  66          HD21      ASN  66  -5.444  -8.594  -6.518
  476   HD22  ASN  66          HD22      ASN  66  -5.120 -10.125  -7.242
  477    H    THR  67           HN       THR  67  -3.148  -4.307  -6.396
  478    HA   THR  67           HA       THR  67  -1.066  -3.349  -8.134
  479    HB   THR  67           HB       THR  67  -2.690  -1.785  -6.142
  480    HG1  THR  67           HG1      THR  67  -4.083  -2.699  -7.657
  481   HG21  THR  67          HG21      THR  67  -2.095   0.138  -7.597
  482   HG22  THR  67          HG22      THR  67  -1.043  -0.929  -8.527
  483   HG23  THR  67          HG23      THR  67  -0.682  -0.593  -6.832
  484    H    LEU  68           HN       LEU  68  -1.631  -3.035  -4.602
  485    HA   LEU  68           HA       LEU  68   0.727  -1.713  -4.027
  486    HB2  LEU  68           HB2      LEU  68   0.336  -2.190  -1.740
  487    HB3  LEU  68           HB1      LEU  68  -1.241  -2.085  -2.481
  488    HG   LEU  68           HG       LEU  68  -0.917  -4.718  -2.622
  489   HD11  LEU  68          HD11      LEU  68   0.570  -4.019  -0.105
  490   HD12  LEU  68          HD12      LEU  68   1.336  -4.617  -1.576
  491   HD13  LEU  68          HD13      LEU  68   0.184  -5.629  -0.706
  492   HD21  LEU  68          HD21      LEU  68  -2.181  -4.870  -0.516
  493   HD22  LEU  68          HD22      LEU  68  -2.788  -3.601  -1.581
  494   HD23  LEU  68          HD23      LEU  68  -1.789  -3.183  -0.189
  495    H    THR  69           HN       THR  69   0.167  -5.239  -3.897
  496    HA   THR  69           HA       THR  69   2.665  -6.099  -3.242
  497    HB   THR  69           HB       THR  69   0.383  -7.137  -4.859
  498    HG1  THR  69           HG1      THR  69   1.724  -8.287  -2.638
  499   HG21  THR  69          HG21      THR  69   3.024  -8.564  -4.647
  500   HG22  THR  69          HG22      THR  69   2.276  -7.930  -6.118
  501   HG23  THR  69          HG23      THR  69   1.521  -9.268  -5.242
  502    H    HIS  70           HN       HIS  70   1.355  -5.348  -6.415
  503    HA   HIS  70           HA       HIS  70   3.668  -6.076  -7.865
  504    HB2  HIS  70           HB2      HIS  70   1.311  -5.906  -8.737
  505    HB3  HIS  70           HB1      HIS  70   1.467  -4.174  -8.656
  506    HD1  HIS  70           HD1      HIS  70   2.283  -7.098 -10.743
  507    HD2  HIS  70           HD2      HIS  70   3.243  -3.057 -10.584
  508    HE1  HIS  70           HE1      HIS  70   3.318  -6.563 -12.970
  509    HE2  HIS  70           HE2      HIS  70   3.793  -4.093 -12.895
  510    H    ASN  71           HN       ASN  71   2.622  -3.158  -6.292
  511    HA   ASN  71           HA       ASN  71   4.611  -1.463  -7.428
  512    HB2  ASN  71           HB2      ASN  71   3.216  -1.057  -4.786
  513    HB3  ASN  71           HB1      ASN  71   3.929   0.169  -5.822
  514   HD21  ASN  71          HD21      ASN  71   2.747  -1.208  -8.197
  515   HD22  ASN  71          HD22      ASN  71   1.096  -0.717  -8.205
  516    H    THR  72           HN       THR  72   4.535  -3.588  -4.637
  517    HA   THR  72           HA       THR  72   6.970  -2.308  -3.605
  518    HB   THR  72           HB       THR  72   6.260  -3.083  -1.389
  519    HG1  THR  72           HG1      THR  72   3.765  -3.809  -2.532
  520   HG21  THR  72          HG21      THR  72   5.384  -0.900  -2.579
  521   HG22  THR  72          HG22      THR  72   4.697  -1.408  -1.037
  522   HG23  THR  72          HG23      THR  72   3.838  -1.754  -2.539
  523    H    GLY  73           HN       GLY  73   5.654  -5.177  -4.865
  524    HA2  GLY  73           HA2      GLY  73   6.995  -6.946  -5.593
  525    HA3  GLY  73           HA1      GLY  73   8.265  -6.367  -4.538
  526    H    LEU  74           HN       LEU  74   5.379  -6.487  -2.868
  527    HA   LEU  74           HA       LEU  74   6.391  -8.795  -1.415
  528    HB2  LEU  74           HB2      LEU  74   5.571  -6.335  -0.560
  529    HB3  LEU  74           HB1      LEU  74   4.124  -7.288  -0.311
  530    HG   LEU  74           HG       LEU  74   5.396  -7.291   1.711
  531   HD11  LEU  74          HD11      LEU  74   4.309  -9.405   1.140
  532   HD12  LEU  74          HD12      LEU  74   5.780  -9.646   2.083
  533   HD13  LEU  74          HD13      LEU  74   5.789  -9.937   0.343
  534   HD21  LEU  74          HD21      LEU  74   7.622  -8.009  -0.153
  535   HD22  LEU  74          HD22      LEU  74   7.740  -8.333   1.583
  536   HD23  LEU  74          HD23      LEU  74   7.539  -6.677   1.004
  537    H    ASP  75           HN       ASP  75   5.517 -10.623  -1.556
  538    HA   ASP  75           HA       ASP  75   2.844 -10.837  -2.759
  539    HB2  ASP  75           HB2      ASP  75   4.774 -11.759  -4.017
  540    HB3  ASP  75           HB1      ASP  75   5.063 -12.852  -2.674
  541    H    LEU  76           HN       LEU  76   2.493 -10.307  -0.272
  542    HA   LEU  76           HA       LEU  76   2.371 -12.824   1.227
  543    HB2  LEU  76           HB2      LEU  76   3.283 -10.676   2.248
  544    HB3  LEU  76           HB1      LEU  76   1.639 -10.076   2.228
  545    HG   LEU  76           HG       LEU  76   0.965 -11.942   3.717
  546   HD11  LEU  76          HD11      LEU  76   3.924 -12.520   3.817
  547   HD12  LEU  76          HD12      LEU  76   2.705 -13.541   3.060
  548   HD13  LEU  76          HD13      LEU  76   2.680 -13.286   4.803
  549   HD21  LEU  76          HD21      LEU  76   1.939 -11.048   5.718
  550   HD22  LEU  76          HD22      LEU  76   1.662  -9.720   4.590
  551   HD23  LEU  76          HD23      LEU  76   3.288 -10.366   4.811
  552    HA   PRO  77           HA       PRO  77  -1.741 -13.674  -0.141
  553    HB2  PRO  77           HB2      PRO  77  -2.037 -14.788   2.611
  554    HB3  PRO  77           HB1      PRO  77  -2.370 -15.544   1.051
  555    HG2  PRO  77           HG2      PRO  77  -0.192 -16.195   2.390
  556    HG3  PRO  77           HG1      PRO  77  -0.131 -15.974   0.632
  557    HD2  PRO  77           HD2      PRO  77   0.798 -14.153   2.808
  558    HD3  PRO  77           HD1      PRO  77   1.540 -14.505   1.234
  559    HA   PRO  78           HA       PRO  78  -4.854 -10.841   1.137
  560    HB2  PRO  78           HB2      PRO  78  -7.003 -12.481   1.783
  561    HB3  PRO  78           HB1      PRO  78  -6.569 -11.927   0.157
  562    HG2  PRO  78           HG2      PRO  78  -5.934 -14.516   1.513
  563    HG3  PRO  78           HG1      PRO  78  -6.429 -14.216  -0.163
  564    HD2  PRO  78           HD2      PRO  78  -3.888 -14.707   0.421
  565    HD3  PRO  78           HD1      PRO  78  -4.307 -13.471  -0.782
  566    H    THR  79           HN       THR  79  -6.924 -10.840   3.007
  567    HA   THR  79           HA       THR  79  -7.249 -10.044   5.001
  568    HB   THR  79           HB       THR  79  -6.632 -11.293   6.960
  569    HG1  THR  79           HG1      THR  79  -4.701 -12.435   5.261
  570   HG21  THR  79          HG21      THR  79  -7.552 -13.493   6.314
  571   HG22  THR  79          HG22      THR  79  -7.350 -13.048   4.619
  572   HG23  THR  79          HG23      THR  79  -8.461 -12.138   5.642
  573    H    LEU  80           HN       LEU  80  -4.777  -9.119   3.497
  574    HA   LEU  80           HA       LEU  80  -3.163  -8.060   5.633
  575    HB2  LEU  80           HB2      LEU  80  -3.230  -7.460   2.684
  576    HB3  LEU  80           HB1      LEU  80  -2.150  -6.654   3.804
  577    HG   LEU  80           HG       LEU  80  -2.169  -9.587   3.106
  578   HD11  LEU  80          HD11      LEU  80   0.023  -9.135   2.195
  579   HD12  LEU  80          HD12      LEU  80  -0.084  -7.449   2.693
  580   HD13  LEU  80          HD13      LEU  80  -1.165  -8.070   1.446
  581   HD21  LEU  80          HD21      LEU  80  -1.694  -9.286   5.486
  582   HD22  LEU  80          HD22      LEU  80  -0.438  -8.113   5.089
  583   HD23  LEU  80          HD23      LEU  80  -0.260  -9.799   4.603
  584    H    ILE  81           HN       ILE  81  -5.811  -6.920   3.615
  585    HA   ILE  81           HA       ILE  81  -5.776  -4.241   4.608
  586    HB   ILE  81           HB       ILE  81  -8.164  -5.774   3.536
  587   HG12  ILE  81          HG12      ILE  81  -6.534  -5.773   1.808
  588   HG13  ILE  81          HG11      ILE  81  -7.643  -4.467   1.448
  589   HG21  ILE  81          HG21      ILE  81  -9.182  -3.685   3.131
  590   HG22  ILE  81          HG22      ILE  81  -7.696  -2.815   3.491
  591   HG23  ILE  81          HG23      ILE  81  -8.586  -3.618   4.792
  592   HD11  ILE  81          HD11      ILE  81  -5.017  -4.111   2.840
  593   HD12  ILE  81          HD12      ILE  81  -6.108  -2.857   2.249
  594   HD13  ILE  81          HD13      ILE  81  -5.273  -3.912   1.106
  595    H    PHE  82           HN       PHE  82  -7.247  -7.223   5.569
  596    HA   PHE  82           HA       PHE  82  -8.796  -6.246   7.699
  597    HB2  PHE  82           HB2      PHE  82  -7.662  -8.992   7.131
  598    HB3  PHE  82           HB1      PHE  82  -8.882  -8.643   8.345
  599    HD1  PHE  82           HD1      PHE  82 -11.099  -8.850   7.794
  600    HD2  PHE  82           HD2      PHE  82  -8.272  -8.204   4.671
  601    HE1  PHE  82           HE1      PHE  82 -12.880  -9.117   6.125
  602    HE2  PHE  82           HE2      PHE  82 -10.051  -8.473   3.006
  603    HZ   PHE  82           HZ       PHE  82 -12.357  -8.928   3.723
  604    H    ASP  83           HN       ASP  83  -5.459  -7.199   7.386
  605    HA   ASP  83           HA       ASP  83  -4.964  -7.136  10.247
  606    HB2  ASP  83           HB2      ASP  83  -3.811  -8.741   8.695
  607    HB3  ASP  83           HB1      ASP  83  -2.980  -7.372   7.973
  608    H    HIS  84           HN       HIS  84  -4.536  -5.130   7.438
  609    HA   HIS  84           HA       HIS  84  -3.634  -2.906   9.142
  610    HB2  HIS  84           HB2      HIS  84  -2.570  -3.741   6.445
  611    HB3  HIS  84           HB1      HIS  84  -2.322  -2.130   7.085
  612    HD1  HIS  84           HD1      HIS  84  -0.518  -1.858   8.902
  613    HD2  HIS  84           HD2      HIS  84  -1.177  -5.810   7.789
  614    HE1  HIS  84           HE1      HIS  84   1.367  -3.166   9.914
  615    HE2  HIS  84           HE2      HIS  84   0.836  -5.571   9.396
  616    HA   PRO  85           HA       PRO  85  -7.456  -2.111   6.903
  617    HB2  PRO  85           HB2      PRO  85  -8.820  -0.887   8.829
  618    HB3  PRO  85           HB1      PRO  85  -8.428  -2.608   8.944
  619    HG2  PRO  85           HG2      PRO  85  -7.105  -0.269  10.262
  620    HG3  PRO  85           HG1      PRO  85  -7.507  -1.858  10.942
  621    HD2  PRO  85           HD2      PRO  85  -5.009  -1.120   9.983
  622    HD3  PRO  85           HD1      PRO  85  -5.576  -2.791  10.168
  623    H    THR  86           HN       THR  86  -5.097   0.192   7.426
  624    HA   THR  86           HA       THR  86  -6.822   2.171   6.132
  625    HB   THR  86           HB       THR  86  -5.689   3.998   7.267
  626    HG1  THR  86           HG1      THR  86  -4.493   2.813   9.297
  627   HG21  THR  86          HG21      THR  86  -6.806   1.947   9.176
  628   HG22  THR  86          HG22      THR  86  -7.701   3.216   8.341
  629   HG23  THR  86          HG23      THR  86  -6.521   3.638   9.579
  630    HA   PRO  87           HA       PRO  87  -3.627   2.480   3.015
  631    HB2  PRO  87           HB2      PRO  87  -3.774   5.422   3.311
  632    HB3  PRO  87           HB1      PRO  87  -3.911   4.427   1.862
  633    HG2  PRO  87           HG2      PRO  87  -6.071   5.543   2.971
  634    HG3  PRO  87           HG1      PRO  87  -6.132   3.930   2.239
  635    HD2  PRO  87           HD2      PRO  87  -6.086   4.701   5.122
  636    HD3  PRO  87           HD1      PRO  87  -6.921   3.355   4.322
  637    H    HIS  88           HN       HIS  88  -3.422   4.519   5.875
  638    HA   HIS  88           HA       HIS  88  -0.610   4.846   5.924
  639    HB2  HIS  88           HB2      HIS  88  -2.214   6.143   7.313
  640    HB3  HIS  88           HB1      HIS  88  -2.559   4.691   8.236
  641    HD1  HIS  88           HD1      HIS  88   0.575   6.693   7.357
  642    HD2  HIS  88           HD2      HIS  88  -1.160   4.628  10.517
  643    HE1  HIS  88           HE1      HIS  88   2.163   6.954   9.282
  644    HE2  HIS  88           HE2      HIS  88   0.992   5.872  11.232
  645    H    ALA  89           HN       ALA  89  -2.747   2.485   7.497
  646    HA   ALA  89           HA       ALA  89  -0.825   0.916   8.732
  647    HB1  ALA  89           HB1      ALA  89  -3.212   0.739   9.170
  648    HB2  ALA  89           HB2      ALA  89  -2.508  -0.835   8.780
  649    HB3  ALA  89           HB3      ALA  89  -3.452   0.035   7.567
  650    H    LEU  90           HN       LEU  90  -2.391   0.192   5.564
  651    HA   LEU  90           HA       LEU  90  -0.843  -1.993   4.878
  652    HB2  LEU  90           HB2      LEU  90  -2.704  -0.359   3.604
  653    HB3  LEU  90           HB1      LEU  90  -1.283  -0.262   2.611
  654    HG   LEU  90           HG       LEU  90  -1.247  -2.653   2.294
  655   HD11  LEU  90          HD11      LEU  90  -3.005  -4.082   3.165
  656   HD12  LEU  90          HD12      LEU  90  -3.716  -2.714   4.019
  657   HD13  LEU  90          HD13      LEU  90  -2.123  -3.313   4.482
  658   HD21  LEU  90          HD21      LEU  90  -3.295  -2.893   1.007
  659   HD22  LEU  90          HD22      LEU  90  -2.601  -1.286   0.785
  660   HD23  LEU  90          HD23      LEU  90  -3.998  -1.510   1.844
  661    H    THR  91           HN       THR  91  -0.230   1.418   4.373
  662    HA   THR  91           HA       THR  91   2.121   1.201   2.944
  663    HB   THR  91           HB       THR  91   1.051   3.302   4.811
  664    HG1  THR  91           HG1      THR  91   0.059   3.434   2.895
  665   HG21  THR  91          HG21      THR  91   2.923   4.772   3.839
  666   HG22  THR  91          HG22      THR  91   3.747   3.247   3.506
  667   HG23  THR  91          HG23      THR  91   3.320   3.675   5.159
  668    H    GLN  92           HN       GLN  92   1.594   1.505   6.431
  669    HA   GLN  92           HA       GLN  92   4.185   1.347   7.361
  670    HB2  GLN  92           HB2      GLN  92   1.629   0.237   8.516
  671    HB3  GLN  92           HB1      GLN  92   3.134   0.306   9.409
  672    HG2  GLN  92           HG2      GLN  92   3.045   2.844   8.824
  673    HG3  GLN  92           HG1      GLN  92   1.341   2.515   8.540
  674   HE21  GLN  92          HE21      GLN  92   2.727   4.095  10.642
  675   HE22  GLN  92          HE22      GLN  92   2.130   3.463  12.136
  676    H    HIS  93           HN       HIS  93   1.987  -1.254   6.470
  677    HA   HIS  93           HA       HIS  93   3.520  -3.449   7.221
  678    HB2  HIS  93           HB2      HIS  93   1.261  -3.798   6.548
  679    HB3  HIS  93           HB1      HIS  93   1.536  -3.057   4.978
  680    HD1  HIS  93           HD1      HIS  93   2.460  -6.203   6.903
  681    HD2  HIS  93           HD2      HIS  93   2.181  -4.806   2.989
  682    HE1  HIS  93           HE1      HIS  93   2.852  -8.204   5.440
  683    HE2  HIS  93           HE2      HIS  93   2.759  -7.328   3.082
  684    H    LEU  94           HN       LEU  94   3.461  -1.832   4.017
  685    HA   LEU  94           HA       LEU  94   5.559  -3.560   3.038
  686    HB2  LEU  94           HB2      LEU  94   4.387  -1.038   1.846
  687    HB3  LEU  94           HB1      LEU  94   5.358  -2.230   1.004
  688    HG   LEU  94           HG       LEU  94   2.738  -2.952   2.283
  689   HD11  LEU  94          HD11      LEU  94   2.585  -1.058   0.587
  690   HD12  LEU  94          HD12      LEU  94   1.556  -2.468   0.364
  691   HD13  LEU  94          HD13      LEU  94   3.011  -2.281  -0.620
  692   HD21  LEU  94          HD21      LEU  94   4.304  -4.764   1.655
  693   HD22  LEU  94          HD22      LEU  94   4.277  -4.179  -0.014
  694   HD23  LEU  94          HD23      LEU  94   2.805  -4.808   0.730
  695    H    HIS  95           HN       HIS  95   5.426  -0.533   4.669
  696    HA   HIS  95           HA       HIS  95   8.014   0.426   3.790
  697    HB2  HIS  95           HB2      HIS  95   6.217   1.975   4.550
  698    HB3  HIS  95           HB1      HIS  95   6.269   1.241   6.142
  699    HD1  HIS  95           HD1      HIS  95   8.102   1.979   7.735
  700    HD2  HIS  95           HD2      HIS  95   8.382   3.731   3.959
  701    HE1  HIS  95           HE1      HIS  95   9.759   3.846   7.974
  702    HE2  HIS  95           HE2      HIS  95   9.758   5.002   5.741
  703    H    THR  96           HN       THR  96   6.707  -1.677   6.145
  704    HA   THR  96           HA       THR  96   9.138  -1.761   7.720
  705    HB   THR  96           HB       THR  96   6.324  -2.648   8.004
  706    HG1  THR  96           HG1      THR  96   8.244  -1.255   9.452
  707   HG21  THR  96          HG21      THR  96   8.552  -4.111   9.398
  708   HG22  THR  96          HG22      THR  96   7.473  -4.770   8.167
  709   HG23  THR  96          HG23      THR  96   6.827  -4.278   9.732
  710    H    ARG  97           HN       ARG  97   7.090  -3.835   5.683
  711    HA   ARG  97           HA       ARG  97   8.729  -6.119   5.928
  712    HB2  ARG  97           HB2      ARG  97   6.468  -5.372   4.122
  713    HB3  ARG  97           HB1      ARG  97   7.334  -6.884   3.905
  714    HG2  ARG  97           HG2      ARG  97   5.828  -5.965   6.317
  715    HG3  ARG  97           HG1      ARG  97   5.413  -7.313   5.253
  716    HD2  ARG  97           HD2      ARG  97   7.964  -7.926   6.044
  717    HD3  ARG  97           HD1      ARG  97   7.303  -7.166   7.486
  718    HE   ARG  97           HE       ARG  97   5.480  -8.830   7.365
  719   HH11  ARG  97          HH11      ARG  97   8.533  -9.487   5.773
  720   HH12  ARG  97          HH12      ARG  97   8.320 -11.205   5.797
  721   HH21  ARG  97          HH21      ARG  97   5.219 -11.099   7.435
  722   HH22  ARG  97          HH22      ARG  97   6.445 -12.126   6.761
  723    H    LEU  98           HN       LEU  98   8.745  -3.431   3.766
  724    HA   LEU  98           HA       LEU  98  10.183  -4.266   1.635
  725    HB2  LEU  98           HB2      LEU  98   9.373  -1.962   2.247
  726    HB3  LEU  98           HB1      LEU  98  10.915  -1.771   3.060
  727    HG   LEU  98           HG       LEU  98  12.126  -1.983   1.031
  728   HD11  LEU  98          HD11      LEU  98   9.535  -3.095  -0.003
  729   HD12  LEU  98          HD12      LEU  98  11.135  -3.844  -0.009
  730   HD13  LEU  98          HD13      LEU  98  10.785  -2.500  -1.099
  731   HD21  LEU  98          HD21      LEU  98  11.022   0.146   1.300
  732   HD22  LEU  98          HD22      LEU  98   9.582  -0.499   0.516
  733   HD23  LEU  98          HD23      LEU  98  11.075  -0.309  -0.404
  734    H    THR  99           HN       THR  99  11.399  -3.742   4.887
  735    HA   THR  99           HA       THR  99  13.995  -4.791   4.003
  736    HB   THR  99           HB       THR  99  14.288  -2.660   5.048
  737    HG1  THR  99           HG1      THR  99  15.828  -4.257   5.638
  738   HG21  THR  99          HG21      THR  99  13.554  -2.160   7.325
  739   HG22  THR  99          HG22      THR  99  12.758  -3.731   7.411
  740   HG23  THR  99          HG23      THR  99  12.186  -2.515   6.265
  741    H    GLN 100           HN       GLN 100  11.473  -5.108   6.467
  742    HA   GLN 100           HA       GLN 100  12.603  -7.351   7.760
  743    HB2  GLN 100           HB2      GLN 100   9.756  -6.388   7.668
  744    HB3  GLN 100           HB1      GLN 100  10.365  -7.612   8.770
  745    HG2  GLN 100           HG2      GLN 100  11.421  -4.800   8.638
  746    HG3  GLN 100           HG1      GLN 100  10.147  -5.329   9.741
  747   HE21  GLN 100          HE21      GLN 100  13.523  -5.514   8.960
  748   HE22  GLN 100          HE22      GLN 100  14.042  -6.219  10.449
  749    H    SER 101           HN       SER 101  13.190  -8.830   6.249
  750    HA   SER 101           HA       SER 101  11.243 -10.738   5.469
  751    HB2  SER 101           HB2      SER 101  11.635 -10.520   2.997
  752    HB3  SER 101           HB1      SER 101  10.745  -9.169   3.697
  753    HG   SER 101           HG       SER 101  13.158  -8.379   3.901
  754    H    HIS 102           HN       HIS 102  12.608 -12.120   3.544
  755    HA   HIS 102           HA       HIS 102  15.059 -12.799   4.954
  756    HB2  HIS 102           HB2      HIS 102  13.421 -14.209   2.893
  757    HB3  HIS 102           HB1      HIS 102  15.057 -14.721   3.226
  758    HD1  HIS 102           HD1      HIS 102  15.015 -16.684   4.721
  759    HD2  HIS 102           HD2      HIS 102  12.042 -13.948   5.689
  760    HE1  HIS 102           HE1      HIS 102  13.847 -17.639   6.733
  761    HE2  HIS 102           HE2      HIS 102  11.973 -16.028   7.222
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  12.121  -5.368 -17.206
    2    H2   GLY   1           HT2      GLY   1  10.813  -5.286 -18.273
    3    H3   GLY   1           HT3      GLY   1  10.658  -6.109 -16.804
    4    HA2  GLY   1           HA1      GLY   1  11.097  -3.195 -17.111
    5    HA3  GLY   1           HA2      GLY   1   9.563  -3.956 -16.717
    6    H    ALA   2           HN       ALA   2   9.399  -5.104 -14.695
    7    HA   ALA   2           HA       ALA   2  11.438  -4.425 -12.712
    8    HB1  ALA   2           HB1      ALA   2   9.749  -2.637 -12.631
    9    HB2  ALA   2           HB2      ALA   2   9.784  -3.585 -11.145
   10    HB3  ALA   2           HB3      ALA   2   8.501  -3.845 -12.327
   11    H    ALA   3           HN       ALA   3  11.900  -6.690 -12.905
   12    HA   ALA   3           HA       ALA   3  10.072  -8.735 -12.298
   13    HB1  ALA   3           HB1      ALA   3  12.032 -10.119 -11.839
   14    HB2  ALA   3           HB2      ALA   3  13.050  -8.679 -11.800
   15    HB3  ALA   3           HB3      ALA   3  12.266  -9.165 -13.304
   16    H    SER   4           HN       SER   4  12.471  -7.131 -10.210
   17    HA   SER   4           HA       SER   4  10.718  -7.712  -7.925
   18    HB2  SER   4           HB2      SER   4  13.019  -8.600  -7.708
   19    HB3  SER   4           HB1      SER   4  13.653  -6.971  -7.915
   20    HG   SER   4           HG       SER   4  12.936  -8.108  -5.673
   21    H    ALA   5           HN       ALA   5   9.316  -6.000  -7.962
   22    HA   ALA   5           HA       ALA   5  10.287  -3.317  -8.365
   23    HB1  ALA   5           HB1      ALA   5   7.984  -2.632  -7.933
   24    HB2  ALA   5           HB2      ALA   5   7.580  -4.273  -7.430
   25    HB3  ALA   5           HB3      ALA   5   8.040  -3.951  -9.102
   26    H    ALA   6           HN       ALA   6  10.651  -5.375  -5.881
   27    HA   ALA   6           HA       ALA   6  10.144  -3.573  -3.679
   28    HB1  ALA   6           HB1      ALA   6  11.626  -6.203  -3.831
   29    HB2  ALA   6           HB2      ALA   6   9.953  -5.958  -3.314
   30    HB3  ALA   6           HB3      ALA   6  11.280  -5.320  -2.342
   31    H    THR   7           HN       THR   7  12.607  -4.225  -5.919
   32    HA   THR   7           HA       THR   7  14.546  -2.720  -4.327
   33    HB   THR   7           HB       THR   7  15.460  -4.800  -5.131
   34    HG1  THR   7           HG1      THR   7  16.441  -2.480  -6.444
   35   HG21  THR   7          HG21      THR   7  14.811  -3.831  -7.911
   36   HG22  THR   7          HG22      THR   7  14.009  -5.156  -7.066
   37   HG23  THR   7          HG23      THR   7  15.712  -5.292  -7.510
   38    H    ASP   8           HN       ASP   8  12.124  -2.222  -6.446
   39    HA   ASP   8           HA       ASP   8  13.389   0.105  -7.677
   40    HB2  ASP   8           HB2      ASP   8  11.183  -1.637  -8.422
   41    HB3  ASP   8           HB1      ASP   8  10.725   0.061  -8.410
   42    H    LEU   9           HN       LEU   9  10.962  -1.048  -5.502
   43    HA   LEU   9           HA       LEU   9   9.674   1.420  -5.031
   44    HB2  LEU   9           HB2      LEU   9   8.545  -0.571  -4.383
   45    HB3  LEU   9           HB1      LEU   9   9.896  -1.102  -3.406
   46    HG   LEU   9           HG       LEU   9   9.547   0.966  -2.003
   47   HD11  LEU   9          HD11      LEU   9   7.370   2.012  -2.069
   48   HD12  LEU   9          HD12      LEU   9   6.901   0.997  -3.434
   49   HD13  LEU   9          HD13      LEU   9   8.207   2.195  -3.621
   50   HD21  LEU   9          HD21      LEU   9   7.778  -0.080  -0.692
   51   HD22  LEU   9          HD22      LEU   9   8.977  -1.246  -1.242
   52   HD23  LEU   9          HD23      LEU   9   7.414  -1.147  -2.044
   53    H    ALA  10           HN       ALA  10  11.849  -0.522  -3.103
   54    HA   ALA  10           HA       ALA  10  12.556   1.451  -1.219
   55    HB1  ALA  10           HB1      ALA  10  14.505  -0.002  -0.738
   56    HB2  ALA  10           HB2      ALA  10  14.093  -0.975  -2.154
   57    HB3  ALA  10           HB3      ALA  10  12.974  -0.880  -0.789
   58    H    ALA  11           HN       ALA  11  13.133   1.459  -4.480
   59    HA   ALA  11           HA       ALA  11  15.705   2.759  -4.421
   60    HB1  ALA  11           HB1      ALA  11  13.680   2.365  -6.611
   61    HB2  ALA  11           HB2      ALA  11  15.175   1.456  -6.364
   62    HB3  ALA  11           HB3      ALA  11  15.245   3.156  -6.830
   63    H    ARG  12           HN       ARG  12  12.235   3.632  -4.823
   64    HA   ARG  12           HA       ARG  12  12.620   6.408  -5.036
   65    HB2  ARG  12           HB2      ARG  12  10.404   4.655  -4.054
   66    HB3  ARG  12           HB1      ARG  12  10.260   6.390  -3.932
   67    HG2  ARG  12           HG2      ARG  12   9.119   5.824  -5.858
   68    HG3  ARG  12           HG1      ARG  12  10.689   6.384  -6.441
   69    HD2  ARG  12           HD2      ARG  12  11.440   4.190  -6.815
   70    HD3  ARG  12           HD1      ARG  12  10.103   3.522  -5.878
   71    HE   ARG  12           HE       ARG  12   8.733   4.638  -7.822
   72   HH11  ARG  12          HH11      ARG  12  11.719   2.833  -8.061
   73   HH12  ARG  12          HH12      ARG  12  11.407   2.274  -9.676
   74   HH21  ARG  12          HH21      ARG  12   8.314   3.920  -9.940
   75   HH22  ARG  12          HH22      ARG  12   9.467   2.910 -10.751
   76    H    LEU  13           HN       LEU  13  12.638   4.174  -2.418
   77    HA   LEU  13           HA       LEU  13  12.063   6.142  -0.373
   78    HB2  LEU  13           HB2      LEU  13  12.516   3.194  -0.441
   79    HB3  LEU  13           HB1      LEU  13  12.540   4.038   1.088
   80    HG   LEU  13           HG       LEU  13  10.249   4.559   0.962
   81   HD11  LEU  13          HD11      LEU  13   9.865   5.422  -1.121
   82   HD12  LEU  13          HD12      LEU  13   8.934   3.920  -1.124
   83   HD13  LEU  13          HD13      LEU  13  10.509   3.990  -1.934
   84   HD21  LEU  13          HD21      LEU  13  10.684   2.227   1.476
   85   HD22  LEU  13          HD22      LEU  13  10.567   1.832  -0.238
   86   HD23  LEU  13          HD23      LEU  13   9.152   2.431   0.628
   87    H    ASN  14           HN       ASN  14  14.723   4.235  -1.510
   88    HA   ASN  14           HA       ASN  14  16.526   4.566   0.539
   89    HB2  ASN  14           HB2      ASN  14  16.522   3.726  -2.214
   90    HB3  ASN  14           HB1      ASN  14  18.067   4.464  -1.751
   91   HD21  ASN  14          HD21      ASN  14  17.233   1.670  -2.384
   92   HD22  ASN  14          HD22      ASN  14  17.739   0.725  -1.033
   93    H    GLY  15           HN       GLY  15  15.827   6.762  -2.028
   94    HA2  GLY  15           HA2      GLY  15  17.947   8.495  -1.189
   95    HA3  GLY  15           HA1      GLY  15  16.739   8.830  -2.404
   96    H    LEU  16           HN       LEU  16  15.131   7.822   0.275
   97    HA   LEU  16           HA       LEU  16  14.656  10.610   1.077
   98    HB2  LEU  16           HB2      LEU  16  12.806   8.355   0.510
   99    HB3  LEU  16           HB1      LEU  16  12.348   9.500   1.743
  100    HG   LEU  16           HG       LEU  16  11.316  10.118  -0.327
  101   HD11  LEU  16          HD11      LEU  16  12.012  12.378  -0.430
  102   HD12  LEU  16          HD12      LEU  16  13.636  11.964   0.117
  103   HD13  LEU  16          HD13      LEU  16  12.269  11.835   1.237
  104   HD21  LEU  16          HD21      LEU  16  14.094  10.222  -1.495
  105   HD22  LEU  16          HD22      LEU  16  12.610  10.724  -2.304
  106   HD23  LEU  16          HD23      LEU  16  12.853   9.029  -1.881
  107    H    SER  17           HN       SER  17  13.723  10.888   3.210
  108    HA   SER  17           HA       SER  17  14.955   9.263   5.250
  109    HB2  SER  17           HB2      SER  17  13.040  11.598   5.417
  110    HB3  SER  17           HB1      SER  17  13.906  10.896   6.776
  111    HG   SER  17           HG       SER  17  14.862  12.825   5.771
  112    HA   PRO  18           HA       PRO  18  12.038   6.219   6.154
  113    HB2  PRO  18           HB2      PRO  18  11.618   7.553   8.805
  114    HB3  PRO  18           HB1      PRO  18  11.878   5.841   8.438
  115    HG2  PRO  18           HG2      PRO  18  13.910   7.256   9.316
  116    HG3  PRO  18           HG1      PRO  18  14.150   6.175   7.930
  117    HD2  PRO  18           HD2      PRO  18  13.859   9.144   7.976
  118    HD3  PRO  18           HD1      PRO  18  14.920   8.125   6.981
  119    H    GLN  19           HN       GLN  19  10.752   9.290   7.472
  120    HA   GLN  19           HA       GLN  19   8.027   8.477   7.149
  121    HB2  GLN  19           HB2      GLN  19   8.761  10.238   8.751
  122    HB3  GLN  19           HB1      GLN  19   9.051  11.298   7.378
  123    HG2  GLN  19           HG2      GLN  19   6.933  11.895   8.152
  124    HG3  GLN  19           HG1      GLN  19   6.657  10.886   6.732
  125   HE21  GLN  19          HE21      GLN  19   4.907  11.486   8.990
  126   HE22  GLN  19          HE22      GLN  19   4.462   9.956   9.662
  127    H    GLN  20           HN       GLN  20  10.313  10.134   5.103
  128    HA   GLN  20           HA       GLN  20   8.401  11.022   3.158
  129    HB2  GLN  20           HB2      GLN  20  11.391  10.645   3.033
  130    HB3  GLN  20           HB1      GLN  20  10.437  11.346   1.730
  131    HG2  GLN  20           HG2      GLN  20   9.705  13.127   3.282
  132    HG3  GLN  20           HG1      GLN  20  10.742  12.422   4.510
  133   HE21  GLN  20          HE21      GLN  20  10.621  14.261   1.593
  134   HE22  GLN  20          HE22      GLN  20  12.276  14.762   1.606
  135    H    GLN  21           HN       GLN  21  10.638   8.348   3.494
  136    HA   GLN  21           HA       GLN  21  10.119   6.882   1.196
  137    HB2  GLN  21           HB2      GLN  21  10.587   5.934   4.030
  138    HB3  GLN  21           HB1      GLN  21  10.727   4.915   2.612
  139    HG2  GLN  21           HG2      GLN  21  12.592   6.183   1.817
  140    HG3  GLN  21           HG1      GLN  21  12.394   7.370   3.112
  141   HE21  GLN  21          HE21      GLN  21  14.682   5.694   2.450
  142   HE22  GLN  21          HE22      GLN  21  15.023   4.760   3.867
  143    H    GLN  22           HN       GLN  22   8.483   6.957   4.289
  144    HA   GLN  22           HA       GLN  22   6.469   5.103   3.780
  145    HB2  GLN  22           HB2      GLN  22   7.020   6.002   5.991
  146    HB3  GLN  22           HB1      GLN  22   6.389   7.553   5.497
  147    HG2  GLN  22           HG2      GLN  22   4.371   5.674   5.013
  148    HG3  GLN  22           HG1      GLN  22   5.055   5.321   6.595
  149   HE21  GLN  22          HE21      GLN  22   4.985   8.537   5.239
  150   HE22  GLN  22          HE22      GLN  22   3.814   9.178   6.331
  151    H    GLN  23           HN       GLN  23   6.568   8.599   3.244
  152    HA   GLN  23           HA       GLN  23   4.008   9.068   2.370
  153    HB2  GLN  23           HB2      GLN  23   6.579  10.262   1.501
  154    HB3  GLN  23           HB1      GLN  23   5.013  10.937   1.076
  155    HG2  GLN  23           HG2      GLN  23   4.485  11.299   3.384
  156    HG3  GLN  23           HG1      GLN  23   5.955  10.497   3.890
  157   HE21  GLN  23          HE21      GLN  23   6.657  12.298   5.021
  158   HE22  GLN  23          HE22      GLN  23   7.254  13.715   4.231
  159    H    THR  24           HN       THR  24   6.744   7.894   0.455
  160    HA   THR  24           HA       THR  24   5.545   7.993  -2.072
  161    HB   THR  24           HB       THR  24   7.670   6.304  -0.823
  162    HG1  THR  24           HG1      THR  24   7.570   8.624  -2.092
  163   HG21  THR  24          HG21      THR  24   6.780   6.051  -3.704
  164   HG22  THR  24          HG22      THR  24   6.450   4.857  -2.450
  165   HG23  THR  24          HG23      THR  24   8.119   5.193  -2.936
  166    H    LEU  25           HN       LEU  25   5.420   5.477   0.426
  167    HA   LEU  25           HA       LEU  25   3.638   3.784  -1.103
  168    HB2  LEU  25           HB2      LEU  25   4.193   3.863   1.846
  169    HB3  LEU  25           HB1      LEU  25   3.390   2.566   0.993
  170    HG   LEU  25           HG       LEU  25   6.187   3.308   0.250
  171   HD11  LEU  25          HD11      LEU  25   5.405   1.508   2.538
  172   HD12  LEU  25          HD12      LEU  25   6.104   3.118   2.705
  173   HD13  LEU  25          HD13      LEU  25   7.041   1.823   1.954
  174   HD21  LEU  25          HD21      LEU  25   4.948   1.718  -1.130
  175   HD22  LEU  25          HD22      LEU  25   4.627   0.724   0.291
  176   HD23  LEU  25          HD23      LEU  25   6.277   0.924  -0.288
  177    H    ALA  26           HN       ALA  26   3.450   6.093   1.513
  178    HA   ALA  26           HA       ALA  26   0.672   5.959   1.962
  179    HB1  ALA  26           HB1      ALA  26   1.035   7.721   3.457
  180    HB2  ALA  26           HB2      ALA  26   2.349   8.389   2.486
  181    HB3  ALA  26           HB3      ALA  26   2.606   6.902   3.404
  182    H    THR  27           HN       THR  27   2.071   6.736  -0.751
  183    HA   THR  27           HA       THR  27  -0.010   8.624  -1.566
  184    HB   THR  27           HB       THR  27   2.895   8.437  -2.301
  185    HG1  THR  27           HG1      THR  27   2.506  10.011  -0.848
  186   HG21  THR  27          HG21      THR  27   2.542   9.833  -4.254
  187   HG22  THR  27          HG22      THR  27   0.795   9.753  -4.018
  188   HG23  THR  27          HG23      THR  27   1.701   8.289  -4.424
  189    H    LEU  28           HN       LEU  28   2.193   6.074  -2.553
  190    HA   LEU  28           HA       LEU  28   0.914   5.331  -4.923
  191    HB2  LEU  28           HB2      LEU  28   3.095   4.649  -4.857
  192    HB3  LEU  28           HB1      LEU  28   2.994   4.205  -3.171
  193    HG   LEU  28           HG       LEU  28   1.296   2.420  -4.188
  194   HD11  LEU  28          HD11      LEU  28   1.734   3.190  -6.484
  195   HD12  LEU  28          HD12      LEU  28   2.097   1.482  -6.229
  196   HD13  LEU  28          HD13      LEU  28   3.410   2.667  -6.302
  197   HD21  LEU  28          HD21      LEU  28   4.253   2.231  -3.789
  198   HD22  LEU  28          HD22      LEU  28   3.237   0.826  -4.117
  199   HD23  LEU  28          HD23      LEU  28   2.950   1.804  -2.670
  200    H    VAL  29           HN       VAL  29   0.818   4.080  -1.670
  201    HA   VAL  29           HA       VAL  29  -0.814   1.846  -2.197
  202    HB   VAL  29           HB       VAL  29  -0.257   3.409   0.311
  203   HG11  VAL  29          HG11      VAL  29  -1.350   1.567   1.557
  204   HG12  VAL  29          HG12      VAL  29  -1.943   0.926   0.026
  205   HG13  VAL  29          HG13      VAL  29  -2.478   2.507   0.581
  206   HG21  VAL  29          HG21      VAL  29   0.531   0.620  -0.504
  207   HG22  VAL  29          HG22      VAL  29   1.097   1.518   0.905
  208   HG23  VAL  29          HG23      VAL  29   1.540   2.050  -0.720
  209    H    ALA  30           HN       ALA  30  -1.399   5.148  -1.413
  210    HA   ALA  30           HA       ALA  30  -4.236   4.892  -1.209
  211    HB1  ALA  30           HB1      ALA  30  -4.153   7.359  -1.222
  212    HB2  ALA  30           HB2      ALA  30  -2.412   7.250  -1.472
  213    HB3  ALA  30           HB3      ALA  30  -3.133   6.620   0.008
  214    H    ALA  31           HN       ALA  31  -1.892   5.714  -3.623
  215    HA   ALA  31           HA       ALA  31  -3.614   6.526  -5.686
  216    HB1  ALA  31           HB1      ALA  31  -1.745   6.234  -7.115
  217    HB2  ALA  31           HB2      ALA  31  -1.043   5.005  -6.061
  218    HB3  ALA  31           HB3      ALA  31  -1.066   6.689  -5.544
  219    H    ALA  32           HN       ALA  32  -2.321   3.449  -4.691
  220    HA   ALA  32           HA       ALA  32  -3.592   1.728  -6.460
  221    HB1  ALA  32           HB1      ALA  32  -1.929   0.818  -5.127
  222    HB2  ALA  32           HB2      ALA  32  -3.402   0.150  -4.415
  223    HB3  ALA  32           HB3      ALA  32  -2.590   1.528  -3.653
  224    H    THR  33           HN       THR  33  -4.717   2.969  -3.275
  225    HA   THR  33           HA       THR  33  -7.226   1.574  -3.546
  226    HB   THR  33           HB       THR  33  -6.651   3.846  -1.639
  227    HG1  THR  33           HG1      THR  33  -5.020   2.151  -1.526
  228   HG21  THR  33          HG21      THR  33  -8.948   3.243  -1.630
  229   HG22  THR  33          HG22      THR  33  -8.234   2.457  -0.219
  230   HG23  THR  33          HG23      THR  33  -8.570   1.522  -1.681
  231    H    ALA  34           HN       ALA  34  -5.954   4.630  -4.510
  232    HA   ALA  34           HA       ALA  34  -8.414   5.935  -5.004
  233    HB1  ALA  34           HB1      ALA  34  -6.302   7.151  -4.904
  234    HB2  ALA  34           HB2      ALA  34  -7.096   7.408  -6.459
  235    HB3  ALA  34           HB3      ALA  34  -5.728   6.299  -6.338
  236    H    THR  35           HN       THR  35  -6.503   3.570  -6.634
  237    HA   THR  35           HA       THR  35  -7.856   3.631  -9.126
  238    HB   THR  35           HB       THR  35  -5.848   1.928  -7.762
  239    HG1  THR  35           HG1      THR  35  -4.688   2.932  -9.182
  240   HG21  THR  35          HG21      THR  35  -6.002   0.153  -9.381
  241   HG22  THR  35          HG22      THR  35  -7.361   0.955 -10.171
  242   HG23  THR  35          HG23      THR  35  -7.541   0.334  -8.525
  243    H    VAL  36           HN       VAL  36  -7.967   1.512  -6.264
  244    HA   VAL  36           HA       VAL  36  -9.740  -0.373  -7.265
  245    HB   VAL  36           HB       VAL  36 -10.251  -0.923  -4.902
  246   HG11  VAL  36          HG11      VAL  36  -8.456  -2.108  -5.695
  247   HG12  VAL  36          HG12      VAL  36  -7.841  -1.365  -4.219
  248   HG13  VAL  36          HG13      VAL  36  -7.432  -0.672  -5.790
  249   HG21  VAL  36          HG21      VAL  36  -8.878   1.619  -4.423
  250   HG22  VAL  36          HG22      VAL  36  -8.652   0.301  -3.274
  251   HG23  VAL  36          HG23      VAL  36 -10.272   0.902  -3.615
  252    H    LEU  37           HN       LEU  37 -10.400   2.771  -5.871
  253    HA   LEU  37           HA       LEU  37 -13.271   2.168  -5.815
  254    HB2  LEU  37           HB2      LEU  37 -11.966   4.665  -4.800
  255    HB3  LEU  37           HB1      LEU  37 -13.508   3.977  -4.336
  256    HG   LEU  37           HG       LEU  37 -10.874   2.658  -3.758
  257   HD11  LEU  37          HD11      LEU  37 -12.504   4.429  -1.963
  258   HD12  LEU  37          HD12      LEU  37 -10.963   4.847  -2.713
  259   HD13  LEU  37          HD13      LEU  37 -11.041   3.548  -1.526
  260   HD21  LEU  37          HD21      LEU  37 -12.197   1.411  -2.112
  261   HD22  LEU  37          HD22      LEU  37 -12.788   1.175  -3.757
  262   HD23  LEU  37          HD23      LEU  37 -13.647   2.254  -2.660
  263    H    GLY  38           HN       GLY  38 -11.261   3.207  -8.096
  264    HA2  GLY  38           HA2      GLY  38 -11.510   4.432 -10.018
  265    HA3  GLY  38           HA1      GLY  38 -13.229   4.449  -9.670
  266    H    HIS  39           HN       HIS  39 -10.540   5.877  -7.844
  267    HA   HIS  39           HA       HIS  39 -11.838   8.503  -8.179
  268    HB2  HIS  39           HB2      HIS  39 -10.383   7.258  -5.891
  269    HB3  HIS  39           HB1      HIS  39 -10.271   9.002  -6.097
  270    HD1  HIS  39           HD1      HIS  39 -12.206  10.373  -5.284
  271    HD2  HIS  39           HD2      HIS  39 -13.104   6.317  -5.483
  272    HE1  HIS  39           HE1      HIS  39 -14.454  10.124  -4.189
  273    HE2  HIS  39           HE2      HIS  39 -14.936   7.654  -4.234
  274    H    HIS  40           HN       HIS  40  -9.053   6.669  -8.813
  275    HA   HIS  40           HA       HIS  40  -7.198   7.053 -10.034
  276    HB2  HIS  40           HB2      HIS  40  -8.736   8.500 -11.420
  277    HB3  HIS  40           HB1      HIS  40  -8.147   9.880 -10.503
  278    HD1  HIS  40           HD1      HIS  40  -7.754   9.526 -13.601
  279    HD2  HIS  40           HD2      HIS  40  -4.913   8.624 -10.702
  280    HE1  HIS  40           HE1      HIS  40  -5.530   9.664 -14.762
  281    HE2  HIS  40           HE2      HIS  40  -3.825   9.291 -12.948
  282    H    THR  41           HN       THR  41  -7.862  10.059  -8.163
  283    HA   THR  41           HA       THR  41  -5.005  10.213  -7.671
  284    HB   THR  41           HB       THR  41  -6.092  12.280  -8.366
  285    HG1  THR  41           HG1      THR  41  -5.108  13.577  -6.817
  286   HG21  THR  41          HG21      THR  41  -8.283  11.899  -7.289
  287   HG22  THR  41          HG22      THR  41  -7.595  13.474  -6.887
  288   HG23  THR  41          HG23      THR  41  -7.513  12.153  -5.722
  289    HA   PRO  42           HA       PRO  42  -5.160   8.603  -3.561
  290    HB2  PRO  42           HB2      PRO  42  -2.752  10.140  -3.025
  291    HB3  PRO  42           HB1      PRO  42  -2.939   8.396  -3.193
  292    HG2  PRO  42           HG2      PRO  42  -1.636   9.952  -5.012
  293    HG3  PRO  42           HG1      PRO  42  -2.441   8.423  -5.401
  294    HD2  PRO  42           HD2      PRO  42  -3.381  11.217  -5.914
  295    HD3  PRO  42           HD1      PRO  42  -3.568   9.735  -6.872
  296    H    GLU  43           HN       GLU  43  -5.205  11.890  -4.404
  297    HA   GLU  43           HA       GLU  43  -5.008  13.128  -1.893
  298    HB2  GLU  43           HB2      GLU  43  -6.328  13.983  -4.454
  299    HB3  GLU  43           HB1      GLU  43  -6.195  15.034  -3.046
  300    HG2  GLU  43           HG2      GLU  43  -3.793  14.909  -3.151
  301    HG3  GLU  43           HG1      GLU  43  -3.900  13.743  -4.465
  302    H    SER  44           HN       SER  44  -7.655  11.514  -3.453
  303    HA   SER  44           HA       SER  44  -9.591  12.493  -1.520
  304    HB2  SER  44           HB2      SER  44 -10.202  12.163  -3.914
  305    HB3  SER  44           HB1      SER  44  -9.931  10.440  -3.695
  306    HG   SER  44           HG       SER  44 -11.633  10.350  -2.276
  307    H    ILE  45           HN       ILE  45  -7.254  10.201  -1.639
  308    HA   ILE  45           HA       ILE  45  -8.685   8.171  -0.087
  309    HB   ILE  45           HB       ILE  45  -5.876   8.067  -1.164
  310   HG12  ILE  45          HG12      ILE  45  -7.446   8.312  -3.004
  311   HG13  ILE  45          HG11      ILE  45  -6.808   6.676  -2.964
  312   HG21  ILE  45          HG21      ILE  45  -6.020   5.680  -0.815
  313   HG22  ILE  45          HG22      ILE  45  -7.681   5.836  -0.238
  314   HG23  ILE  45          HG23      ILE  45  -6.352   6.519   0.703
  315   HD11  ILE  45          HD11      ILE  45  -9.192   6.748  -3.470
  316   HD12  ILE  45          HD12      ILE  45  -9.492   7.501  -1.903
  317   HD13  ILE  45          HD13      ILE  45  -8.850   5.860  -1.985
  318    H    SER  46           HN       SER  46  -8.818   9.256   1.916
  319    HA   SER  46           HA       SER  46  -6.559  10.313   3.265
  320    HB2  SER  46           HB2      SER  46  -9.076  10.696   3.762
  321    HB3  SER  46           HB1      SER  46  -8.962   9.186   4.655
  322    HG   SER  46           HG       SER  46  -8.602  11.236   5.839
  323    HA   PRO  47           HA       PRO  47  -4.750   6.483   4.443
  324    HB2  PRO  47           HB2      PRO  47  -2.830   7.368   6.032
  325    HB3  PRO  47           HB1      PRO  47  -2.896   7.930   4.361
  326    HG2  PRO  47           HG2      PRO  47  -3.709   9.329   6.863
  327    HG3  PRO  47           HG1      PRO  47  -2.947   9.987   5.410
  328    HD2  PRO  47           HD2      PRO  47  -5.705  10.012   6.042
  329    HD3  PRO  47           HD1      PRO  47  -4.973  10.435   4.471
  330    H    ALA  48           HN       ALA  48  -6.681   8.212   6.446
  331    HA   ALA  48           HA       ALA  48  -6.248   6.415   8.699
  332    HB1  ALA  48           HB1      ALA  48  -6.927   9.322   8.912
  333    HB2  ALA  48           HB2      ALA  48  -5.282   8.685   8.958
  334    HB3  ALA  48           HB3      ALA  48  -6.445   8.228  10.213
  335    H    THR  49           HN       THR  49  -8.304   7.201   6.358
  336    HA   THR  49           HA       THR  49 -10.804   7.377   7.698
  337    HB   THR  49           HB       THR  49  -9.945   6.792   4.881
  338    HG1  THR  49           HG1      THR  49 -11.265   8.942   6.192
  339   HG21  THR  49          HG21      THR  49 -12.287   6.788   4.201
  340   HG22  THR  49          HG22      THR  49 -12.777   6.853   5.896
  341   HG23  THR  49          HG23      THR  49 -11.908   5.444   5.281
  342    H    ALA  50           HN       ALA  50  -8.952   4.847   6.187
  343    HA   ALA  50           HA       ALA  50  -8.781   2.604   6.760
  344    HB1  ALA  50           HB1      ALA  50 -11.647   2.751   7.673
  345    HB2  ALA  50           HB2      ALA  50 -10.227   2.745   8.726
  346    HB3  ALA  50           HB3      ALA  50 -10.599   1.332   7.735
  347    H    PHE  51           HN       PHE  51  -8.863   1.124   5.344
  348    HA   PHE  51           HA       PHE  51  -9.836   1.454   2.787
  349    HB2  PHE  51           HB2      PHE  51  -9.184  -1.030   4.344
  350    HB3  PHE  51           HB1      PHE  51  -9.543  -1.046   2.619
  351    HD1  PHE  51           HD1      PHE  51  -8.223   1.220   1.565
  352    HD2  PHE  51           HD2      PHE  51  -6.970  -1.399   4.653
  353    HE1  PHE  51           HE1      PHE  51  -5.890   1.778   1.076
  354    HE2  PHE  51           HE2      PHE  51  -4.624  -0.854   4.183
  355    HZ   PHE  51           HZ       PHE  51  -4.078   0.742   2.380
  356    H    LYS  52           HN       LYS  52 -11.286  -0.363   5.455
  357    HA   LYS  52           HA       LYS  52 -13.539  -1.359   4.224
  358    HB2  LYS  52           HB2      LYS  52 -13.274  -0.154   6.985
  359    HB3  LYS  52           HB1      LYS  52 -14.626  -1.148   6.461
  360    HG2  LYS  52           HG2      LYS  52 -12.891  -2.953   5.994
  361    HG3  LYS  52           HG1      LYS  52 -11.764  -1.934   6.888
  362    HD2  LYS  52           HD2      LYS  52 -14.392  -2.891   8.019
  363    HD3  LYS  52           HD1      LYS  52 -12.873  -3.754   8.217
  364    HE2  LYS  52           HE2      LYS  52 -13.188  -2.508  10.181
  365    HE3  LYS  52           HE1      LYS  52 -11.931  -1.710   9.253
  366    HZ1  LYS  52           HZ1      LYS  52 -13.556  -0.172  10.263
  367    HZ2  LYS  52           HZ2      LYS  52 -14.775  -0.850   9.308
  368    HZ3  LYS  52           HZ3      LYS  52 -13.492  -0.029   8.583
  369    H    ASP  53           HN       ASP  53 -12.916   1.779   5.623
  370    HA   ASP  53           HA       ASP  53 -15.570   2.770   5.237
  371    HB2  ASP  53           HB2      ASP  53 -12.989   4.051   6.159
  372    HB3  ASP  53           HB1      ASP  53 -14.517   4.929   6.043
  373    H    LEU  54           HN       LEU  54 -12.919   2.366   3.306
  374    HA   LEU  54           HA       LEU  54 -13.317   4.707   1.628
  375    HB2  LEU  54           HB2      LEU  54 -11.277   2.533   1.803
  376    HB3  LEU  54           HB1      LEU  54 -11.391   3.479   0.339
  377    HG   LEU  54           HG       LEU  54 -11.013   4.720   3.062
  378   HD11  LEU  54          HD11      LEU  54  -8.935   3.828   1.082
  379   HD12  LEU  54          HD12      LEU  54  -9.142   3.270   2.744
  380   HD13  LEU  54          HD13      LEU  54  -8.629   4.928   2.424
  381   HD21  LEU  54          HD21      LEU  54 -10.552   5.701   0.259
  382   HD22  LEU  54          HD22      LEU  54 -10.163   6.594   1.730
  383   HD23  LEU  54          HD23      LEU  54 -11.842   6.207   1.348
  384    H    GLY  55           HN       GLY  55 -14.095   1.338   1.749
  385    HA2  GLY  55           HA2      GLY  55 -15.990   0.774   0.234
  386    HA3  GLY  55           HA1      GLY  55 -15.029   1.492  -1.052
  387    H    ILE  56           HN       ILE  56 -12.859   0.082   0.885
  388    HA   ILE  56           HA       ILE  56 -12.289  -2.076  -0.831
  389    HB   ILE  56           HB       ILE  56 -11.374  -1.435   1.963
  390   HG12  ILE  56          HG12      ILE  56 -10.227   0.057   0.699
  391   HG13  ILE  56          HG11      ILE  56  -9.144  -1.308   0.583
  392   HG21  ILE  56          HG21      ILE  56 -11.130  -3.681   2.010
  393   HG22  ILE  56          HG22      ILE  56  -9.564  -3.158   1.372
  394   HG23  ILE  56          HG23      ILE  56 -10.796  -3.791   0.282
  395   HD11  ILE  56          HD11      ILE  56 -10.184  -1.897  -1.580
  396   HD12  ILE  56          HD12      ILE  56  -9.355  -0.343  -1.563
  397   HD13  ILE  56          HD13      ILE  56 -11.114  -0.395  -1.479
  398    H    ASP  57           HN       ASP  57 -13.912  -3.586  -1.071
  399    HA   ASP  57           HA       ASP  57 -14.467  -5.156   1.355
  400    HB2  ASP  57           HB2      ASP  57 -16.447  -3.812   0.535
  401    HB3  ASP  57           HB1      ASP  57 -16.422  -4.808  -0.918
  402    H    SER  58           HN       SER  58 -12.782  -6.548   0.867
  403    HA   SER  58           HA       SER  58 -11.962  -8.535   0.194
  404    HB2  SER  58           HB2      SER  58 -14.327  -9.272   0.372
  405    HB3  SER  58           HB1      SER  58 -14.485  -8.924  -1.341
  406    HG   SER  58           HG       SER  58 -14.010 -11.132  -0.952
  407    H    LEU  59           HN       LEU  59 -13.801  -7.606  -2.697
  408    HA   LEU  59           HA       LEU  59 -11.923  -8.582  -4.534
  409    HB2  LEU  59           HB2      LEU  59 -14.004  -6.421  -4.808
  410    HB3  LEU  59           HB1      LEU  59 -13.044  -6.998  -6.146
  411    HG   LEU  59           HG       LEU  59 -14.038  -9.220  -5.949
  412   HD11  LEU  59          HD11      LEU  59 -15.942  -9.608  -4.465
  413   HD12  LEU  59          HD12      LEU  59 -15.684  -8.026  -3.729
  414   HD13  LEU  59          HD13      LEU  59 -14.461  -9.286  -3.563
  415   HD21  LEU  59          HD21      LEU  59 -15.077  -7.633  -7.412
  416   HD22  LEU  59          HD22      LEU  59 -15.980  -6.931  -6.071
  417   HD23  LEU  59          HD23      LEU  59 -16.337  -8.574  -6.609
  418    H    THR  60           HN       THR  60 -12.531  -5.290  -3.407
  419    HA   THR  60           HA       THR  60 -10.326  -4.277  -4.952
  420    HB   THR  60           HB       THR  60 -10.896  -2.156  -3.530
  421    HG1  THR  60           HG1      THR  60 -13.456  -2.705  -3.340
  422   HG21  THR  60          HG21      THR  60 -11.258  -2.470  -5.949
  423   HG22  THR  60          HG22      THR  60 -12.570  -1.559  -5.188
  424   HG23  THR  60          HG23      THR  60 -12.800  -3.260  -5.599
  425    H    ALA  61           HN       ALA  61 -10.774  -5.688  -1.930
  426    HA   ALA  61           HA       ALA  61  -8.455  -4.540  -0.678
  427    HB1  ALA  61           HB1      ALA  61  -8.727  -6.213   1.021
  428    HB2  ALA  61           HB2      ALA  61  -9.812  -7.153  -0.007
  429    HB3  ALA  61           HB3      ALA  61 -10.324  -5.582   0.609
  430    H    LEU  62           HN       LEU  62  -9.221  -7.412  -2.580
  431    HA   LEU  62           HA       LEU  62  -6.562  -8.427  -2.528
  432    HB2  LEU  62           HB2      LEU  62  -8.927  -9.512  -3.116
  433    HB3  LEU  62           HB1      LEU  62  -8.427  -9.059  -4.723
  434    HG   LEU  62           HG       LEU  62  -7.603 -11.171  -4.724
  435   HD11  LEU  62          HD11      LEU  62  -5.382  -9.826  -3.192
  436   HD12  LEU  62          HD12      LEU  62  -5.642  -9.721  -4.934
  437   HD13  LEU  62          HD13      LEU  62  -5.247 -11.274  -4.193
  438   HD21  LEU  62          HD21      LEU  62  -6.878 -12.378  -2.710
  439   HD22  LEU  62          HD22      LEU  62  -8.523 -11.757  -2.570
  440   HD23  LEU  62          HD23      LEU  62  -7.197 -10.932  -1.753
  441    H    GLU  63           HN       GLU  63  -8.500  -6.480  -4.868
  442    HA   GLU  63           HA       GLU  63  -6.515  -6.300  -6.818
  443    HB2  GLU  63           HB2      GLU  63  -8.607  -5.682  -7.557
  444    HB3  GLU  63           HB1      GLU  63  -9.027  -4.921  -6.036
  445    HG2  GLU  63           HG2      GLU  63  -8.927  -3.157  -7.468
  446    HG3  GLU  63           HG1      GLU  63  -7.356  -3.161  -6.675
  447    H    LEU  64           HN       LEU  64  -7.207  -4.441  -3.882
  448    HA   LEU  64           HA       LEU  64  -5.229  -2.491  -4.078
  449    HB2  LEU  64           HB2      LEU  64  -6.937  -3.503  -2.060
  450    HB3  LEU  64           HB1      LEU  64  -5.293  -3.625  -1.439
  451    HG   LEU  64           HG       LEU  64  -6.636  -1.117  -2.420
  452   HD11  LEU  64          HD11      LEU  64  -7.465  -1.862  -0.259
  453   HD12  LEU  64          HD12      LEU  64  -6.439  -0.436  -0.065
  454   HD13  LEU  64          HD13      LEU  64  -5.810  -2.038   0.333
  455   HD21  LEU  64          HD21      LEU  64  -4.220  -1.239  -2.947
  456   HD22  LEU  64          HD22      LEU  64  -3.895  -1.517  -1.234
  457   HD23  LEU  64          HD23      LEU  64  -4.601   0.014  -1.759
  458    H    ARG  65           HN       ARG  65  -5.180  -5.741  -2.954
  459    HA   ARG  65           HA       ARG  65  -2.502  -5.849  -2.076
  460    HB2  ARG  65           HB2      ARG  65  -4.109  -7.456  -1.250
  461    HB3  ARG  65           HB1      ARG  65  -4.458  -8.030  -2.880
  462    HG2  ARG  65           HG2      ARG  65  -1.680  -8.284  -1.782
  463    HG3  ARG  65           HG1      ARG  65  -2.931  -9.411  -1.259
  464    HD2  ARG  65           HD2      ARG  65  -3.338 -10.071  -3.560
  465    HD3  ARG  65           HD1      ARG  65  -2.172  -8.880  -4.133
  466    HE   ARG  65           HE       ARG  65  -0.977 -10.687  -2.289
  467   HH11  ARG  65          HH11      ARG  65  -2.068 -10.451  -5.620
  468   HH12  ARG  65          HH12      ARG  65  -0.944 -11.638  -6.200
  469   HH21  ARG  65          HH21      ARG  65   0.495 -12.253  -3.062
  470   HH22  ARG  65          HH22      ARG  65   0.513 -12.658  -4.750
  471    H    ASN  66           HN       ASN  66  -4.100  -6.891  -5.003
  472    HA   ASN  66           HA       ASN  66  -1.945  -7.969  -6.369
  473    HB2  ASN  66           HB2      ASN  66  -4.583  -6.825  -7.158
  474    HB3  ASN  66           HB1      ASN  66  -3.424  -7.207  -8.422
  475   HD21  ASN  66          HD21      ASN  66  -6.033  -8.431  -7.694
  476   HD22  ASN  66          HD22      ASN  66  -5.688 -10.111  -7.484
  477    H    THR  67           HN       THR  67  -3.034  -4.589  -6.172
  478    HA   THR  67           HA       THR  67  -1.050  -3.676  -8.010
  479    HB   THR  67           HB       THR  67  -2.452  -2.102  -5.861
  480    HG1  THR  67           HG1      THR  67  -3.999  -3.021  -7.235
  481   HG21  THR  67          HG21      THR  67  -1.048  -1.251  -8.393
  482   HG22  THR  67          HG22      THR  67  -0.530  -0.919  -6.738
  483   HG23  THR  67          HG23      THR  67  -2.003  -0.179  -7.370
  484    H    LEU  68           HN       LEU  68  -1.341  -3.449  -4.481
  485    HA   LEU  68           HA       LEU  68   1.074  -2.157  -4.039
  486    HB2  LEU  68           HB2      LEU  68  -0.487  -4.005  -2.253
  487    HB3  LEU  68           HB1      LEU  68   0.877  -3.060  -1.708
  488    HG   LEU  68           HG       LEU  68  -1.869  -2.196  -2.412
  489   HD11  LEU  68          HD11      LEU  68  -1.239  -2.502  -0.107
  490   HD12  LEU  68          HD12      LEU  68  -1.496  -0.792  -0.442
  491   HD13  LEU  68          HD13      LEU  68   0.141  -1.424  -0.314
  492   HD21  LEU  68          HD21      LEU  68  -1.166   0.104  -2.713
  493   HD22  LEU  68          HD22      LEU  68  -0.440  -0.909  -3.957
  494   HD23  LEU  68          HD23      LEU  68   0.528  -0.366  -2.585
  495    H    THR  69           HN       THR  69   0.433  -5.674  -3.721
  496    HA   THR  69           HA       THR  69   3.024  -6.331  -2.979
  497    HB   THR  69           HB       THR  69   0.762  -7.736  -3.144
  498    HG1  THR  69           HG1      THR  69   3.312  -8.982  -3.466
  499   HG21  THR  69          HG21      THR  69   2.271  -8.651  -5.597
  500   HG22  THR  69          HG22      THR  69   0.724  -7.805  -5.600
  501   HG23  THR  69          HG23      THR  69   0.843  -9.422  -4.903
  502    H    HIS  70           HN       HIS  70   1.697  -5.491  -6.055
  503    HA   HIS  70           HA       HIS  70   3.903  -6.448  -7.622
  504    HB2  HIS  70           HB2      HIS  70   1.557  -6.107  -8.515
  505    HB3  HIS  70           HB1      HIS  70   1.824  -4.382  -8.363
  506    HD1  HIS  70           HD1      HIS  70   2.823  -7.340 -10.429
  507    HD2  HIS  70           HD2      HIS  70   3.451  -3.229 -10.302
  508    HE1  HIS  70           HE1      HIS  70   3.915  -6.755 -12.618
  509    HE2  HIS  70           HE2      HIS  70   4.388  -4.285 -12.474
  510    H    ASN  71           HN       ASN  71   2.853  -3.421  -6.192
  511    HA   ASN  71           HA       ASN  71   4.806  -1.749  -7.393
  512    HB2  ASN  71           HB2      ASN  71   3.398  -1.287  -4.759
  513    HB3  ASN  71           HB1      ASN  71   4.113  -0.071  -5.806
  514   HD21  ASN  71          HD21      ASN  71   3.022  -1.417  -8.190
  515   HD22  ASN  71          HD22      ASN  71   1.354  -0.992  -8.236
  516    H    THR  72           HN       THR  72   4.762  -3.738  -4.537
  517    HA   THR  72           HA       THR  72   7.203  -2.456  -3.548
  518    HB   THR  72           HB       THR  72   6.524  -3.343  -1.343
  519    HG1  THR  72           HG1      THR  72   4.030  -3.999  -2.534
  520   HG21  THR  72          HG21      THR  72   5.005  -1.640  -0.928
  521   HG22  THR  72          HG22      THR  72   4.115  -1.938  -2.419
  522   HG23  THR  72          HG23      THR  72   5.668  -1.100  -2.474
  523    H    GLY  73           HN       GLY  73   6.000  -5.279  -4.950
  524    HA2  GLY  73           HA2      GLY  73   7.394  -6.936  -5.816
  525    HA3  GLY  73           HA1      GLY  73   8.685  -6.288  -4.826
  526    H    LEU  74           HN       LEU  74   6.027  -6.656  -2.976
  527    HA   LEU  74           HA       LEU  74   7.312  -8.752  -1.503
  528    HB2  LEU  74           HB2      LEU  74   5.833  -6.519  -0.894
  529    HB3  LEU  74           HB1      LEU  74   4.701  -7.814  -0.586
  530    HG   LEU  74           HG       LEU  74   6.360  -8.871   0.911
  531   HD11  LEU  74          HD11      LEU  74   8.315  -7.493   1.588
  532   HD12  LEU  74          HD12      LEU  74   7.923  -6.368   0.281
  533   HD13  LEU  74          HD13      LEU  74   8.385  -8.026  -0.094
  534   HD21  LEU  74          HD21      LEU  74   6.036  -7.385   2.737
  535   HD22  LEU  74          HD22      LEU  74   4.615  -7.248   1.699
  536   HD23  LEU  74          HD23      LEU  74   5.863  -6.004   1.658
  537    H    ASP  75           HN       ASP  75   5.712 -10.350  -0.419
  538    HA   ASP  75           HA       ASP  75   4.000 -11.522  -2.498
  539    HB2  ASP  75           HB2      ASP  75   6.209 -12.587  -2.592
  540    HB3  ASP  75           HB1      ASP  75   6.081 -12.962  -0.882
  541    H    LEU  76           HN       LEU  76   2.611 -10.312  -0.881
  542    HA   LEU  76           HA       LEU  76   1.918 -12.050   1.384
  543    HB2  LEU  76           HB2      LEU  76   1.737  -9.120   0.938
  544    HB3  LEU  76           HB1      LEU  76   0.473  -9.861   1.900
  545    HG   LEU  76           HG       LEU  76   2.269  -8.932   3.293
  546   HD11  LEU  76          HD11      LEU  76   2.623 -10.858   4.707
  547   HD12  LEU  76          HD12      LEU  76   2.176 -11.940   3.390
  548   HD13  LEU  76          HD13      LEU  76   0.973 -10.852   4.084
  549   HD21  LEU  76          HD21      LEU  76   4.478  -9.945   3.324
  550   HD22  LEU  76          HD22      LEU  76   4.134  -9.253   1.739
  551   HD23  LEU  76          HD23      LEU  76   4.031 -10.996   1.981
  552    HA   PRO  77           HA       PRO  77  -1.814 -13.126  -0.765
  553    HB2  PRO  77           HB2      PRO  77  -3.018 -14.459   1.238
  554    HB3  PRO  77           HB1      PRO  77  -1.569 -15.093   0.449
  555    HG2  PRO  77           HG2      PRO  77  -1.833 -13.633   3.049
  556    HG3  PRO  77           HG1      PRO  77  -0.873 -15.075   2.669
  557    HD2  PRO  77           HD2      PRO  77   0.164 -12.551   2.776
  558    HD3  PRO  77           HD1      PRO  77   0.837 -13.849   1.771
  559    HA   PRO  78           HA       PRO  78  -5.427 -10.583   0.479
  560    HB2  PRO  78           HB2      PRO  78  -7.164 -12.534   1.512
  561    HB3  PRO  78           HB1      PRO  78  -7.116 -11.958  -0.155
  562    HG2  PRO  78           HG2      PRO  78  -5.870 -14.387   1.051
  563    HG3  PRO  78           HG1      PRO  78  -6.622 -14.181  -0.543
  564    HD2  PRO  78           HD2      PRO  78  -3.982 -14.266  -0.318
  565    HD3  PRO  78           HD1      PRO  78  -4.746 -13.101  -1.418
  566    H    THR  79           HN       THR  79  -7.138 -10.571   2.520
  567    HA   THR  79           HA       THR  79  -7.395  -9.940   4.617
  568    HB   THR  79           HB       THR  79  -6.588 -11.306   6.432
  569    HG1  THR  79           HG1      THR  79  -4.677 -12.097   4.560
  570   HG21  THR  79          HG21      THR  79  -8.455 -12.143   5.122
  571   HG22  THR  79          HG22      THR  79  -7.461 -13.478   5.708
  572   HG23  THR  79          HG23      THR  79  -7.339 -12.959   4.027
  573    H    LEU  80           HN       LEU  80  -4.830  -9.082   3.012
  574    HA   LEU  80           HA       LEU  80  -3.098  -8.083   5.042
  575    HB2  LEU  80           HB2      LEU  80  -2.478  -8.437   2.634
  576    HB3  LEU  80           HB1      LEU  80  -3.472  -7.052   2.226
  577    HG   LEU  80           HG       LEU  80  -2.011  -5.616   3.608
  578   HD11  LEU  80          HD11      LEU  80  -0.394  -8.138   3.928
  579   HD12  LEU  80          HD12      LEU  80  -1.221  -7.244   5.205
  580   HD13  LEU  80          HD13      LEU  80   0.151  -6.520   4.367
  581   HD21  LEU  80          HD21      LEU  80  -0.077  -5.653   2.104
  582   HD22  LEU  80          HD22      LEU  80  -1.593  -5.822   1.219
  583   HD23  LEU  80          HD23      LEU  80  -0.576  -7.234   1.505
  584    H    ILE  81           HN       ILE  81  -5.868  -6.828   3.303
  585    HA   ILE  81           HA       ILE  81  -5.822  -4.220   4.471
  586    HB   ILE  81           HB       ILE  81  -8.246  -5.699   3.414
  587   HG12  ILE  81          HG12      ILE  81  -6.683  -5.679   1.633
  588   HG13  ILE  81          HG11      ILE  81  -7.755  -4.327   1.345
  589   HG21  ILE  81          HG21      ILE  81  -8.616  -3.593   4.749
  590   HG22  ILE  81          HG22      ILE  81  -9.243  -3.578   3.100
  591   HG23  ILE  81          HG23      ILE  81  -7.738  -2.745   3.470
  592   HD11  ILE  81          HD11      ILE  81  -5.397  -3.822   0.944
  593   HD12  ILE  81          HD12      ILE  81  -5.069  -4.129   2.651
  594   HD13  ILE  81          HD13      ILE  81  -6.129  -2.801   2.181
  595    H    PHE  82           HN       PHE  82  -7.126  -7.298   5.378
  596    HA   PHE  82           HA       PHE  82  -8.687  -6.408   7.553
  597    HB2  PHE  82           HB2      PHE  82  -7.537  -9.120   6.874
  598    HB3  PHE  82           HB1      PHE  82  -8.707  -8.829   8.152
  599    HD1  PHE  82           HD1      PHE  82 -10.907  -9.212   7.677
  600    HD2  PHE  82           HD2      PHE  82  -8.302  -8.102   4.494
  601    HE1  PHE  82           HE1      PHE  82 -12.751  -9.456   6.075
  602    HE2  PHE  82           HE2      PHE  82 -10.145  -8.351   2.893
  603    HZ   PHE  82           HZ       PHE  82 -12.375  -9.025   3.679
  604    H    ASP  83           HN       ASP  83  -5.324  -7.367   7.200
  605    HA   ASP  83           HA       ASP  83  -4.835  -7.239  10.057
  606    HB2  ASP  83           HB2      ASP  83  -3.588  -8.805   8.528
  607    HB3  ASP  83           HB1      ASP  83  -2.805  -7.399   7.823
  608    H    HIS  84           HN       HIS  84  -4.519  -5.221   7.240
  609    HA   HIS  84           HA       HIS  84  -3.664  -2.978   8.952
  610    HB2  HIS  84           HB2      HIS  84  -2.650  -3.709   6.211
  611    HB3  HIS  84           HB1      HIS  84  -2.389  -2.134   6.933
  612    HD1  HIS  84           HD1      HIS  84  -0.646  -2.001   8.860
  613    HD2  HIS  84           HD2      HIS  84  -1.150  -5.809   7.270
  614    HE1  HIS  84           HE1      HIS  84   1.282  -3.349   9.723
  615    HE2  HIS  84           HE2      HIS  84   0.821  -5.696   8.940
  616    HA   PRO  85           HA       PRO  85  -7.513  -2.131   6.771
  617    HB2  PRO  85           HB2      PRO  85  -8.847  -0.938   8.739
  618    HB3  PRO  85           HB1      PRO  85  -8.475  -2.666   8.809
  619    HG2  PRO  85           HG2      PRO  85  -7.114  -0.378  10.178
  620    HG3  PRO  85           HG1      PRO  85  -7.524  -1.981  10.816
  621    HD2  PRO  85           HD2      PRO  85  -5.029  -1.237   9.851
  622    HD3  PRO  85           HD1      PRO  85  -5.607  -2.907  10.005
  623    H    THR  86           HN       THR  86  -5.122   0.144   7.389
  624    HA   THR  86           HA       THR  86  -6.822   2.166   6.121
  625    HB   THR  86           HB       THR  86  -5.645   3.953   7.301
  626    HG1  THR  86           HG1      THR  86  -4.585   2.440   9.305
  627   HG21  THR  86          HG21      THR  86  -6.872   1.910   9.152
  628   HG22  THR  86          HG22      THR  86  -7.721   3.189   8.283
  629   HG23  THR  86          HG23      THR  86  -6.579   3.599   9.561
  630    HA   PRO  87           HA       PRO  87  -3.637   2.527   3.012
  631    HB2  PRO  87           HB2      PRO  87  -3.776   5.463   3.359
  632    HB3  PRO  87           HB1      PRO  87  -3.925   4.495   1.894
  633    HG2  PRO  87           HG2      PRO  87  -6.075   5.595   3.034
  634    HG3  PRO  87           HG1      PRO  87  -6.146   3.994   2.276
  635    HD2  PRO  87           HD2      PRO  87  -6.072   4.721   5.170
  636    HD3  PRO  87           HD1      PRO  87  -6.922   3.392   4.356
  637    H    HIS  88           HN       HIS  88  -3.406   4.570   5.873
  638    HA   HIS  88           HA       HIS  88  -0.605   4.847   5.959
  639    HB2  HIS  88           HB2      HIS  88  -2.171   6.105   7.411
  640    HB3  HIS  88           HB1      HIS  88  -2.568   4.619   8.257
  641    HD1  HIS  88           HD1      HIS  88   0.683   6.500   7.497
  642    HD2  HIS  88           HD2      HIS  88  -1.250   4.495  10.586
  643    HE1  HIS  88           HE1      HIS  88   2.242   6.620   9.463
  644    HE2  HIS  88           HE2      HIS  88   1.057   5.407  11.326
  645    H    ALA  89           HN       ALA  89  -2.746   2.438   7.455
  646    HA   ALA  89           HA       ALA  89  -0.833   0.848   8.676
  647    HB1  ALA  89           HB1      ALA  89  -3.238   0.668   9.075
  648    HB2  ALA  89           HB2      ALA  89  -2.507  -0.898   8.707
  649    HB3  ALA  89           HB3      ALA  89  -3.441  -0.048   7.473
  650    H    LEU  90           HN       LEU  90  -2.378   0.161   5.488
  651    HA   LEU  90           HA       LEU  90  -0.841  -2.025   4.794
  652    HB2  LEU  90           HB2      LEU  90  -2.652  -0.303   3.510
  653    HB3  LEU  90           HB1      LEU  90  -1.229  -0.328   2.511
  654    HG   LEU  90           HG       LEU  90  -1.360  -2.705   2.218
  655   HD11  LEU  90          HD11      LEU  90  -2.133  -3.344   4.419
  656   HD12  LEU  90          HD12      LEU  90  -3.195  -4.009   3.183
  657   HD13  LEU  90          HD13      LEU  90  -3.698  -2.599   4.111
  658   HD21  LEU  90          HD21      LEU  90  -2.801  -1.195   0.837
  659   HD22  LEU  90          HD22      LEU  90  -4.139  -1.599   1.910
  660   HD23  LEU  90          HD23      LEU  90  -3.365  -2.860   0.952
  661    H    THR  91           HN       THR  91  -0.173   1.384   4.377
  662    HA   THR  91           HA       THR  91   2.196   1.149   2.959
  663    HB   THR  91           HB       THR  91   1.129   3.261   4.821
  664    HG1  THR  91           HG1      THR  91   0.095   3.410   2.939
  665   HG21  THR  91          HG21      THR  91   3.803   3.166   3.492
  666   HG22  THR  91          HG22      THR  91   3.383   3.683   5.124
  667   HG23  THR  91          HG23      THR  91   2.987   4.707   3.743
  668    H    GLN  92           HN       GLN  92   1.615   1.466   6.441
  669    HA   GLN  92           HA       GLN  92   4.183   1.318   7.427
  670    HB2  GLN  92           HB2      GLN  92   1.675   0.067   8.564
  671    HB3  GLN  92           HB1      GLN  92   3.139   0.386   9.474
  672    HG2  GLN  92           HG2      GLN  92   2.837   2.806   8.987
  673    HG3  GLN  92           HG1      GLN  92   1.305   2.405   8.221
  674   HE21  GLN  92          HE21      GLN  92   3.015   2.674  11.221
  675   HE22  GLN  92          HE22      GLN  92   1.635   2.531  12.252
  676    H    HIS  93           HN       HIS  93   2.033  -1.303   6.471
  677    HA   HIS  93           HA       HIS  93   3.588  -3.481   7.245
  678    HB2  HIS  93           HB2      HIS  93   1.351  -3.882   6.547
  679    HB3  HIS  93           HB1      HIS  93   1.614  -3.109   4.992
  680    HD1  HIS  93           HD1      HIS  93   2.594  -6.273   6.866
  681    HD2  HIS  93           HD2      HIS  93   2.336  -4.795   2.981
  682    HE1  HIS  93           HE1      HIS  93   3.042  -8.234   5.364
  683    HE2  HIS  93           HE2      HIS  93   2.717  -7.350   3.028
  684    H    LEU  94           HN       LEU  94   3.514  -1.869   4.036
  685    HA   LEU  94           HA       LEU  94   5.611  -3.576   3.044
  686    HB2  LEU  94           HB2      LEU  94   4.428  -1.032   1.907
  687    HB3  LEU  94           HB1      LEU  94   5.453  -2.162   1.043
  688    HG   LEU  94           HG       LEU  94   2.827  -3.009   2.239
  689   HD11  LEU  94          HD11      LEU  94   1.709  -2.598   0.224
  690   HD12  LEU  94          HD12      LEU  94   3.197  -2.166  -0.615
  691   HD13  LEU  94          HD13      LEU  94   2.545  -1.102   0.641
  692   HD21  LEU  94          HD21      LEU  94   4.402  -4.777   1.608
  693   HD22  LEU  94          HD22      LEU  94   4.494  -4.120  -0.031
  694   HD23  LEU  94          HD23      LEU  94   2.975  -4.789   0.575
  695    H    HIS  95           HN       HIS  95   5.500  -0.535   4.714
  696    HA   HIS  95           HA       HIS  95   8.114   0.345   3.852
  697    HB2  HIS  95           HB2      HIS  95   6.311   1.929   4.653
  698    HB3  HIS  95           HB1      HIS  95   6.529   1.270   6.269
  699    HD1  HIS  95           HD1      HIS  95   8.643   1.951   7.562
  700    HD2  HIS  95           HD2      HIS  95   8.361   3.673   3.784
  701    HE1  HIS  95           HE1      HIS  95  10.426   3.712   7.488
  702    HE2  HIS  95           HE2      HIS  95  10.415   4.527   5.112
  703    H    THR  96           HN       THR  96   6.756  -1.682   6.309
  704    HA   THR  96           HA       THR  96   9.176  -1.743   7.884
  705    HB   THR  96           HB       THR  96   6.375  -2.638   8.137
  706    HG1  THR  96           HG1      THR  96   7.386  -0.881   9.312
  707   HG21  THR  96          HG21      THR  96   7.465  -4.797   8.200
  708   HG22  THR  96          HG22      THR  96   6.839  -4.362   9.791
  709   HG23  THR  96          HG23      THR  96   8.566  -4.226   9.454
  710    H    ARG  97           HN       ARG  97   7.306  -3.716   5.641
  711    HA   ARG  97           HA       ARG  97   8.850  -6.057   5.901
  712    HB2  ARG  97           HB2      ARG  97   6.937  -5.108   3.803
  713    HB3  ARG  97           HB1      ARG  97   7.719  -6.671   3.712
  714    HG2  ARG  97           HG2      ARG  97   6.058  -5.736   6.017
  715    HG3  ARG  97           HG1      ARG  97   5.427  -6.678   4.665
  716    HD2  ARG  97           HD2      ARG  97   7.656  -7.542   6.499
  717    HD3  ARG  97           HD1      ARG  97   5.977  -8.049   6.613
  718    HE   ARG  97           HE       ARG  97   7.527  -8.588   4.182
  719   HH11  ARG  97          HH11      ARG  97   5.668  -9.741   6.918
  720   HH12  ARG  97          HH12      ARG  97   5.596 -11.375   6.340
  721   HH21  ARG  97          HH21      ARG  97   7.411 -10.752   3.411
  722   HH22  ARG  97          HH22      ARG  97   6.571 -11.943   4.351
  723    H    LEU  98           HN       LEU  98   9.326  -3.172   4.059
  724    HA   LEU  98           HA       LEU  98  11.060  -3.919   2.096
  725    HB2  LEU  98           HB2      LEU  98  10.737  -1.557   3.735
  726    HB3  LEU  98           HB1      LEU  98  12.403  -1.796   3.276
  727    HG   LEU  98           HG       LEU  98  11.926  -0.732   1.380
  728   HD11  LEU  98          HD11      LEU  98  10.117  -3.051   0.715
  729   HD12  LEU  98          HD12      LEU  98  11.878  -3.066   0.550
  730   HD13  LEU  98          HD13      LEU  98  10.911  -1.955  -0.418
  731   HD21  LEU  98          HD21      LEU  98   9.943   0.189   2.457
  732   HD22  LEU  98          HD22      LEU  98   9.009  -1.200   1.900
  733   HD23  LEU  98          HD23      LEU  98   9.706  -0.077   0.730
  734    H    THR  99           HN       THR  99  11.923  -3.384   5.478
  735    HA   THR  99           HA       THR  99  14.492  -4.659   5.068
  736    HB   THR  99           HB       THR  99  14.754  -2.844   6.480
  737    HG1  THR  99           HG1      THR  99  15.628  -4.746   7.462
  738   HG21  THR  99          HG21      THR  99  12.389  -2.340   6.803
  739   HG22  THR  99          HG22      THR  99  13.272  -2.253   8.330
  740   HG23  THR  99          HG23      THR  99  12.266  -3.656   7.975
  741    H    GLN 100           HN       GLN 100  11.471  -5.223   6.813
  742    HA   GLN 100           HA       GLN 100  12.303  -7.795   7.785
  743    HB2  GLN 100           HB2      GLN 100   9.556  -6.576   7.665
  744    HB3  GLN 100           HB1      GLN 100  10.011  -7.994   8.592
  745    HG2  GLN 100           HG2      GLN 100  11.129  -5.232   8.994
  746    HG3  GLN 100           HG1      GLN 100   9.834  -5.953   9.949
  747   HE21  GLN 100          HE21      GLN 100  12.481  -4.999  10.755
  748   HE22  GLN 100          HE22      GLN 100  13.265  -6.347  11.503
  749    H    SER 101           HN       SER 101  12.943  -8.546   5.583
  750    HA   SER 101           HA       SER 101  10.800 -10.157   4.503
  751    HB2  SER 101           HB2      SER 101  11.426  -9.409   2.135
  752    HB3  SER 101           HB1      SER 101  10.455  -8.295   3.101
  753    HG   SER 101           HG       SER 101  12.011  -6.897   3.020
  754    H    HIS 102           HN       HIS 102  11.740 -11.509   2.604
  755    HA   HIS 102           HA       HIS 102  14.364 -12.476   3.478
  756    HB2  HIS 102           HB2      HIS 102  12.154 -13.857   1.986
  757    HB3  HIS 102           HB1      HIS 102  13.731 -14.564   2.228
  758    HD1  HIS 102           HD1      HIS 102  14.096 -15.800   4.378
  759    HD2  HIS 102           HD2      HIS 102  10.705 -13.402   4.476
  760    HE1  HIS 102           HE1      HIS 102  12.945 -16.344   6.544
  761    HE2  HIS 102           HE2      HIS 102  10.979 -14.776   6.644
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  13.502  -2.531 -17.652
    2    H2   GLY   1           HT2      GLY   1  14.355  -2.472 -16.193
    3    H3   GLY   1           HT3      GLY   1  12.915  -1.609 -16.361
    4    HA2  GLY   1           HA1      GLY   1  11.660  -3.649 -16.558
    5    HA3  GLY   1           HA2      GLY   1  13.157  -4.563 -16.419
    6    H    ALA   2           HN       ALA   2  10.866  -4.764 -14.695
    7    HA   ALA   2           HA       ALA   2  12.178  -4.098 -12.168
    8    HB1  ALA   2           HB1      ALA   2  10.101  -3.248 -11.203
    9    HB2  ALA   2           HB2      ALA   2   9.294  -3.438 -12.760
   10    HB3  ALA   2           HB3      ALA   2  10.607  -2.274 -12.583
   11    H    ALA   3           HN       ALA   3  12.512  -6.500 -12.752
   12    HA   ALA   3           HA       ALA   3  10.447  -8.374 -12.419
   13    HB1  ALA   3           HB1      ALA   3  13.378  -8.641 -11.740
   14    HB2  ALA   3           HB2      ALA   3  12.635  -8.995 -13.299
   15    HB3  ALA   3           HB3      ALA   3  12.237  -9.976 -11.890
   16    H    SER   4           HN       SER   4  12.676  -6.900 -10.113
   17    HA   SER   4           HA       SER   4  10.872  -7.704  -7.941
   18    HB2  SER   4           HB2      SER   4  13.196  -8.508  -7.679
   19    HB3  SER   4           HB1      SER   4  13.769  -6.845  -7.780
   20    HG   SER   4           HG       SER   4  11.992  -7.854  -5.805
   21    H    ALA   5           HN       ALA   5   9.384  -6.031  -8.072
   22    HA   ALA   5           HA       ALA   5  10.201  -3.313  -8.343
   23    HB1  ALA   5           HB1      ALA   5   7.574  -4.448  -7.398
   24    HB2  ALA   5           HB2      ALA   5   7.995  -4.046  -9.062
   25    HB3  ALA   5           HB3      ALA   5   7.869  -2.770  -7.853
   26    H    ALA   6           HN       ALA   6  10.613  -5.390  -5.843
   27    HA   ALA   6           HA       ALA   6  10.063  -3.569  -3.664
   28    HB1  ALA   6           HB1      ALA   6  11.540  -6.205  -3.753
   29    HB2  ALA   6           HB2      ALA   6   9.844  -5.962  -3.316
   30    HB3  ALA   6           HB3      ALA   6  11.124  -5.316  -2.285
   31    H    THR   7           HN       THR   7  12.503  -4.094  -5.931
   32    HA   THR   7           HA       THR   7  14.364  -2.504  -4.322
   33    HB   THR   7           HB       THR   7  15.360  -4.584  -5.107
   34    HG1  THR   7           HG1      THR   7  16.290  -2.084  -5.868
   35   HG21  THR   7          HG21      THR   7  15.799  -4.975  -7.481
   36   HG22  THR   7          HG22      THR   7  14.875  -3.532  -7.891
   37   HG23  THR   7          HG23      THR   7  14.064  -4.919  -7.158
   38    H    ASP   8           HN       ASP   8  11.903  -2.077  -6.314
   39    HA   ASP   8           HA       ASP   8  13.081   0.249  -7.640
   40    HB2  ASP   8           HB2      ASP   8  10.969  -1.607  -8.350
   41    HB3  ASP   8           HB1      ASP   8  10.406   0.062  -8.339
   42    H    LEU   9           HN       LEU   9  10.714  -0.979  -5.451
   43    HA   LEU   9           HA       LEU   9   9.360   1.446  -4.950
   44    HB2  LEU   9           HB2      LEU   9   8.309  -0.598  -4.306
   45    HB3  LEU   9           HB1      LEU   9   9.692  -1.075  -3.345
   46    HG   LEU   9           HG       LEU   9   9.286   0.931  -1.901
   47   HD11  LEU   9          HD11      LEU   9   7.951   2.201  -3.492
   48   HD12  LEU   9          HD12      LEU   9   7.095   1.966  -1.957
   49   HD13  LEU   9          HD13      LEU   9   6.655   0.991  -3.363
   50   HD21  LEU   9          HD21      LEU   9   7.109  -1.136  -1.982
   51   HD22  LEU   9          HD22      LEU   9   7.579  -0.159  -0.596
   52   HD23  LEU   9          HD23      LEU   9   8.698  -1.345  -1.260
   53    H    ALA  10           HN       ALA  10  11.593  -0.452  -3.046
   54    HA   ALA  10           HA       ALA  10  12.299   1.539  -1.179
   55    HB1  ALA  10           HB1      ALA  10  13.848  -0.877  -2.107
   56    HB2  ALA  10           HB2      ALA  10  12.730  -0.791  -0.741
   57    HB3  ALA  10           HB3      ALA  10  14.251   0.103  -0.696
   58    H    ALA  11           HN       ALA  11  12.843   1.497  -4.435
   59    HA   ALA  11           HA       ALA  11  15.408   2.807  -4.442
   60    HB1  ALA  11           HB1      ALA  11  14.906   3.164  -6.840
   61    HB2  ALA  11           HB2      ALA  11  13.335   2.396  -6.582
   62    HB3  ALA  11           HB3      ALA  11  14.821   1.473  -6.348
   63    H    ARG  12           HN       ARG  12  11.939   3.668  -4.673
   64    HA   ARG  12           HA       ARG  12  12.307   6.457  -4.903
   65    HB2  ARG  12           HB2      ARG  12  10.146   4.664  -3.880
   66    HB3  ARG  12           HB1      ARG  12   9.993   6.394  -3.687
   67    HG2  ARG  12           HG2      ARG  12   8.786   5.936  -5.585
   68    HG3  ARG  12           HG1      ARG  12  10.346   6.459  -6.220
   69    HD2  ARG  12           HD2      ARG  12  10.951   4.331  -6.852
   70    HD3  ARG  12           HD1      ARG  12   9.848   3.583  -5.694
   71    HE   ARG  12           HE       ARG  12   8.121   4.762  -7.336
   72   HH11  ARG  12          HH11      ARG  12  10.949   2.823  -8.091
   73   HH12  ARG  12          HH12      ARG  12  10.306   2.254  -9.599
   74   HH21  ARG  12          HH21      ARG  12   7.276   4.005  -9.297
   75   HH22  ARG  12          HH22      ARG  12   8.207   2.919 -10.278
   76    H    LEU  13           HN       LEU  13  12.465   4.204  -2.297
   77    HA   LEU  13           HA       LEU  13  11.973   6.153  -0.215
   78    HB2  LEU  13           HB2      LEU  13  12.427   3.212  -0.312
   79    HB3  LEU  13           HB1      LEU  13  12.524   4.055   1.215
   80    HG   LEU  13           HG       LEU  13  10.219   4.625   1.165
   81   HD11  LEU  13          HD11      LEU  13   8.820   3.872  -0.832
   82   HD12  LEU  13          HD12      LEU  13  10.357   3.912  -1.714
   83   HD13  LEU  13          HD13      LEU  13   9.737   5.375  -0.935
   84   HD21  LEU  13          HD21      LEU  13   9.117   2.479   0.998
   85   HD22  LEU  13          HD22      LEU  13  10.691   2.318   1.780
   86   HD23  LEU  13          HD23      LEU  13  10.488   1.834   0.097
   87    H    ASN  14           HN       ASN  14  14.548   4.035  -1.229
   88    HA   ASN  14           HA       ASN  14  16.576   4.758   0.481
   89    HB2  ASN  14           HB2      ASN  14  16.334   3.731  -2.276
   90    HB3  ASN  14           HB1      ASN  14  17.922   4.386  -1.832
   91   HD21  ASN  14          HD21      ASN  14  17.042   1.649  -2.441
   92   HD22  ASN  14          HD22      ASN  14  17.449   0.696  -1.061
   93    H    GLY  15           HN       GLY  15  17.691   6.555   0.847
   94    HA2  GLY  15           HA2      GLY  15  18.746   8.582   0.183
   95    HA3  GLY  15           HA1      GLY  15  17.618   8.701  -1.160
   96    H    LEU  16           HN       LEU  16  15.558   7.807   0.995
   97    HA   LEU  16           HA       LEU  16  14.968  10.567   1.798
   98    HB2  LEU  16           HB2      LEU  16  13.251   8.237   1.089
   99    HB3  LEU  16           HB1      LEU  16  12.624   9.438   2.184
  100    HG   LEU  16           HG       LEU  16  11.855   9.945  -0.018
  101   HD11  LEU  16          HD11      LEU  16  14.113  11.818   0.592
  102   HD12  LEU  16          HD12      LEU  16  12.620  11.744   1.538
  103   HD13  LEU  16          HD13      LEU  16  12.567  12.191  -0.175
  104   HD21  LEU  16          HD21      LEU  16  13.515   8.758  -1.329
  105   HD22  LEU  16          HD22      LEU  16  14.758   9.908  -0.838
  106   HD23  LEU  16          HD23      LEU  16  13.418  10.438  -1.855
  107    H    SER  17           HN       SER  17  13.714  10.807   3.786
  108    HA   SER  17           HA       SER  17  14.802   9.276   5.985
  109    HB2  SER  17           HB2      SER  17  12.750  11.497   5.917
  110    HB3  SER  17           HB1      SER  17  13.554  10.883   7.354
  111    HG   SER  17           HG       SER  17  15.305  11.625   5.386
  112    HA   PRO  18           HA       PRO  18  11.829   6.154   6.593
  113    HB2  PRO  18           HB2      PRO  18  11.171   7.479   9.200
  114    HB3  PRO  18           HB1      PRO  18  11.498   5.772   8.859
  115    HG2  PRO  18           HG2      PRO  18  13.402   7.243   9.931
  116    HG3  PRO  18           HG1      PRO  18  13.802   6.148   8.594
  117    HD2  PRO  18           HD2      PRO  18  13.463   9.109   8.566
  118    HD3  PRO  18           HD1      PRO  18  14.631   8.095   7.695
  119    H    GLN  19           HN       GLN  19  10.522   9.212   7.878
  120    HA   GLN  19           HA       GLN  19   7.801   8.665   7.386
  121    HB2  GLN  19           HB2      GLN  19   8.688  10.471   8.861
  122    HB3  GLN  19           HB1      GLN  19   9.127  11.366   7.413
  123    HG2  GLN  19           HG2      GLN  19   7.076  12.260   8.105
  124    HG3  GLN  19           HG1      GLN  19   6.720  11.206   6.735
  125   HE21  GLN  19          HE21      GLN  19   4.573  11.029   7.388
  126   HE22  GLN  19          HE22      GLN  19   4.111  10.033   8.725
  127    H    GLN  20           HN       GLN  20  10.308  10.049   5.346
  128    HA   GLN  20           HA       GLN  20   8.529  10.960   3.299
  129    HB2  GLN  20           HB2      GLN  20  11.499  10.466   3.336
  130    HB3  GLN  20           HB1      GLN  20  10.648  11.173   1.965
  131    HG2  GLN  20           HG2      GLN  20   9.847  12.967   3.529
  132    HG3  GLN  20           HG1      GLN  20  10.933  12.287   4.726
  133   HE21  GLN  20          HE21      GLN  20  10.673  14.109   1.818
  134   HE22  GLN  20          HE22      GLN  20  12.326  14.624   1.748
  135    H    GLN  21           HN       GLN  21  10.646   8.206   3.772
  136    HA   GLN  21           HA       GLN  21  10.135   6.739   1.467
  137    HB2  GLN  21           HB2      GLN  21  10.582   5.806   4.316
  138    HB3  GLN  21           HB1      GLN  21  10.689   4.763   2.909
  139    HG2  GLN  21           HG2      GLN  21  12.576   5.953   2.086
  140    HG3  GLN  21           HG1      GLN  21  12.413   7.198   3.328
  141   HE21  GLN  21          HE21      GLN  21  11.999   3.749   3.884
  142   HE22  GLN  21          HE22      GLN  21  13.402   3.552   4.873
  143    H    GLN  22           HN       GLN  22   8.328   7.072   4.446
  144    HA   GLN  22           HA       GLN  22   6.361   5.116   3.906
  145    HB2  GLN  22           HB2      GLN  22   6.947   6.196   6.130
  146    HB3  GLN  22           HB1      GLN  22   5.981   7.546   5.583
  147    HG2  GLN  22           HG2      GLN  22   4.575   5.080   5.250
  148    HG3  GLN  22           HG1      GLN  22   5.130   5.283   6.900
  149   HE21  GLN  22          HE21      GLN  22   4.951   8.201   6.764
  150   HE22  GLN  22          HE22      GLN  22   3.266   8.581   6.828
  151    H    GLN  23           HN       GLN  23   6.513   8.612   3.401
  152    HA   GLN  23           HA       GLN  23   3.984   9.142   2.487
  153    HB2  GLN  23           HB2      GLN  23   6.587  10.284   1.638
  154    HB3  GLN  23           HB1      GLN  23   5.037  10.998   1.220
  155    HG2  GLN  23           HG2      GLN  23   4.518  11.330   3.545
  156    HG3  GLN  23           HG1      GLN  23   5.995  10.522   4.025
  157   HE21  GLN  23          HE21      GLN  23   5.125  13.179   4.693
  158   HE22  GLN  23          HE22      GLN  23   6.317  14.272   4.078
  159    H    THR  24           HN       THR  24   6.722   7.978   0.578
  160    HA   THR  24           HA       THR  24   5.574   8.072  -1.966
  161    HB   THR  24           HB       THR  24   7.613   6.323  -0.643
  162    HG1  THR  24           HG1      THR  24   7.573   8.573  -2.241
  163   HG21  THR  24          HG21      THR  24   6.417   4.932  -2.323
  164   HG22  THR  24          HG22      THR  24   8.112   5.217  -2.729
  165   HG23  THR  24          HG23      THR  24   6.841   6.121  -3.558
  166    H    LEU  25           HN       LEU  25   5.378   5.526   0.514
  167    HA   LEU  25           HA       LEU  25   3.604   3.889  -1.078
  168    HB2  LEU  25           HB2      LEU  25   4.189   3.884   1.862
  169    HB3  LEU  25           HB1      LEU  25   3.304   2.640   1.011
  170    HG   LEU  25           HG       LEU  25   6.069   3.232   0.106
  171   HD11  LEU  25          HD11      LEU  25   7.024   1.865   1.842
  172   HD12  LEU  25          HD12      LEU  25   5.433   1.598   2.555
  173   HD13  LEU  25          HD13      LEU  25   6.149   3.210   2.583
  174   HD21  LEU  25          HD21      LEU  25   4.432   0.720   0.454
  175   HD22  LEU  25          HD22      LEU  25   6.040   0.808  -0.256
  176   HD23  LEU  25          HD23      LEU  25   4.683   1.595  -1.056
  177    H    ALA  26           HN       ALA  26   3.411   6.170   1.553
  178    HA   ALA  26           HA       ALA  26   0.629   6.028   1.993
  179    HB1  ALA  26           HB1      ALA  26   0.986   7.812   3.489
  180    HB2  ALA  26           HB2      ALA  26   2.343   8.436   2.549
  181    HB3  ALA  26           HB3      ALA  26   2.530   6.944   3.474
  182    H    THR  27           HN       THR  27   2.049   6.819  -0.699
  183    HA   THR  27           HA       THR  27  -0.014   8.718  -1.533
  184    HB   THR  27           HB       THR  27   2.881   8.441  -2.307
  185    HG1  THR  27           HG1      THR  27   2.626   9.971  -0.790
  186   HG21  THR  27          HG21      THR  27   2.530   9.942  -4.187
  187   HG22  THR  27          HG22      THR  27   0.787   9.901  -3.908
  188   HG23  THR  27          HG23      THR  27   1.641   8.430  -4.394
  189    H    LEU  28           HN       LEU  28   2.173   6.176  -2.516
  190    HA   LEU  28           HA       LEU  28   0.914   5.444  -4.895
  191    HB2  LEU  28           HB2      LEU  28   3.103   4.801  -4.832
  192    HB3  LEU  28           HB1      LEU  28   3.010   4.348  -3.147
  193    HG   LEU  28           HG       LEU  28   1.338   2.541  -4.179
  194   HD11  LEU  28          HD11      LEU  28   1.800   3.340  -6.470
  195   HD12  LEU  28          HD12      LEU  28   2.153   1.631  -6.218
  196   HD13  LEU  28          HD13      LEU  28   3.472   2.810  -6.272
  197   HD21  LEU  28          HD21      LEU  28   3.049   2.031  -2.629
  198   HD22  LEU  28          HD22      LEU  28   4.311   2.345  -3.829
  199   HD23  LEU  28          HD23      LEU  28   3.234   0.960  -4.019
  200    H    VAL  29           HN       VAL  29   0.833   4.160  -1.651
  201    HA   VAL  29           HA       VAL  29  -0.767   1.902  -2.223
  202    HB   VAL  29           HB       VAL  29  -0.224   3.415   0.328
  203   HG11  VAL  29          HG11      VAL  29  -2.447   2.362   0.459
  204   HG12  VAL  29          HG12      VAL  29  -1.288   1.614   1.561
  205   HG13  VAL  29          HG13      VAL  29  -1.722   0.805   0.055
  206   HG21  VAL  29          HG21      VAL  29   1.636   2.186  -0.695
  207   HG22  VAL  29          HG22      VAL  29   0.680   0.704  -0.639
  208   HG23  VAL  29          HG23      VAL  29   1.164   1.497   0.860
  209    H    ALA  30           HN       ALA  30  -1.384   5.196  -1.386
  210    HA   ALA  30           HA       ALA  30  -4.213   4.905  -1.151
  211    HB1  ALA  30           HB1      ALA  30  -2.464   7.305  -1.524
  212    HB2  ALA  30           HB2      ALA  30  -3.067   6.669   0.007
  213    HB3  ALA  30           HB3      ALA  30  -4.187   7.355  -1.172
  214    H    ALA  31           HN       ALA  31  -1.916   5.740  -3.599
  215    HA   ALA  31           HA       ALA  31  -3.686   6.479  -5.655
  216    HB1  ALA  31           HB1      ALA  31  -1.299   6.932  -5.764
  217    HB2  ALA  31           HB2      ALA  31  -1.769   5.930  -7.141
  218    HB3  ALA  31           HB3      ALA  31  -0.944   5.208  -5.752
  219    H    ALA  32           HN       ALA  32  -2.267   3.454  -4.637
  220    HA   ALA  32           HA       ALA  32  -3.494   1.660  -6.353
  221    HB1  ALA  32           HB1      ALA  32  -3.240   0.100  -4.351
  222    HB2  ALA  32           HB2      ALA  32  -2.589   1.510  -3.497
  223    HB3  ALA  32           HB3      ALA  32  -1.780   0.899  -4.940
  224    H    THR  33           HN       THR  33  -4.662   2.956  -3.221
  225    HA   THR  33           HA       THR  33  -7.146   1.510  -3.463
  226    HB   THR  33           HB       THR  33  -6.618   3.824  -1.595
  227    HG1  THR  33           HG1      THR  33  -4.940   2.168  -1.474
  228   HG21  THR  33          HG21      THR  33  -8.155   2.454  -0.141
  229   HG22  THR  33          HG22      THR  33  -8.452   1.430  -1.550
  230   HG23  THR  33          HG23      THR  33  -8.901   3.136  -1.587
  231    H    ALA  34           HN       ALA  34  -5.929   4.548  -4.519
  232    HA   ALA  34           HA       ALA  34  -8.425   5.790  -5.025
  233    HB1  ALA  34           HB1      ALA  34  -6.357   7.070  -4.938
  234    HB2  ALA  34           HB2      ALA  34  -7.137   7.265  -6.511
  235    HB3  ALA  34           HB3      ALA  34  -5.738   6.200  -6.343
  236    H    THR  35           HN       THR  35  -6.438   3.458  -6.612
  237    HA   THR  35           HA       THR  35  -7.774   3.381  -9.102
  238    HB   THR  35           HB       THR  35  -5.737   1.811  -7.648
  239    HG1  THR  35           HG1      THR  35  -6.085   2.846 -10.261
  240   HG21  THR  35          HG21      THR  35  -5.882  -0.129  -9.044
  241   HG22  THR  35          HG22      THR  35  -7.252   0.556  -9.919
  242   HG23  THR  35          HG23      THR  35  -7.427   0.115  -8.217
  243    H    VAL  36           HN       VAL  36  -7.955   1.409  -6.137
  244    HA   VAL  36           HA       VAL  36  -9.726  -0.508  -7.115
  245    HB   VAL  36           HB       VAL  36 -10.232  -0.994  -4.722
  246   HG11  VAL  36          HG11      VAL  36  -8.484  -2.223  -5.590
  247   HG12  VAL  36          HG12      VAL  36  -7.841  -1.529  -4.105
  248   HG13  VAL  36          HG13      VAL  36  -7.418  -0.819  -5.665
  249   HG21  VAL  36          HG21      VAL  36  -8.536   0.228  -3.178
  250   HG22  VAL  36          HG22      VAL  36 -10.155   0.853  -3.476
  251   HG23  VAL  36          HG23      VAL  36  -8.780   1.522  -4.355
  252    H    LEU  37           HN       LEU  37 -10.361   2.668  -5.774
  253    HA   LEU  37           HA       LEU  37 -13.225   2.053  -5.624
  254    HB2  LEU  37           HB2      LEU  37 -11.902   4.594  -4.757
  255    HB3  LEU  37           HB1      LEU  37 -13.426   3.920  -4.217
  256    HG   LEU  37           HG       LEU  37 -10.760   2.650  -3.658
  257   HD11  LEU  37          HD11      LEU  37 -10.859   3.635  -1.478
  258   HD12  LEU  37          HD12      LEU  37 -12.385   4.429  -1.864
  259   HD13  LEU  37          HD13      LEU  37 -10.904   4.897  -2.704
  260   HD21  LEU  37          HD21      LEU  37 -12.670   1.147  -3.563
  261   HD22  LEU  37          HD22      LEU  37 -13.494   2.249  -2.462
  262   HD23  LEU  37          HD23      LEU  37 -12.016   1.432  -1.950
  263    H    GLY  38           HN       GLY  38 -11.264   2.994  -7.982
  264    HA2  GLY  38           HA2      GLY  38 -11.571   4.104  -9.961
  265    HA3  GLY  38           HA1      GLY  38 -13.282   4.112  -9.577
  266    H    HIS  39           HN       HIS  39 -10.680   5.693  -7.756
  267    HA   HIS  39           HA       HIS  39 -11.988   8.265  -8.337
  268    HB2  HIS  39           HB2      HIS  39 -10.461   7.284  -5.964
  269    HB3  HIS  39           HB1      HIS  39 -10.561   9.008  -6.289
  270    HD1  HIS  39           HD1      HIS  39 -12.565  10.173  -5.391
  271    HD2  HIS  39           HD2      HIS  39 -13.132   6.063  -5.666
  272    HE1  HIS  39           HE1      HIS  39 -14.789   9.722  -4.318
  273    HE2  HIS  39           HE2      HIS  39 -15.198   7.266  -4.686
  274    H    HIS  40           HN       HIS  40  -9.135   6.449  -8.673
  275    HA   HIS  40           HA       HIS  40  -7.278   6.724  -9.914
  276    HB2  HIS  40           HB2      HIS  40  -8.896   8.028 -11.434
  277    HB3  HIS  40           HB1      HIS  40  -8.154   9.473 -10.758
  278    HD1  HIS  40           HD1      HIS  40  -7.976   8.433 -13.793
  279    HD2  HIS  40           HD2      HIS  40  -5.018   8.129 -10.880
  280    HE1  HIS  40           HE1      HIS  40  -5.805   8.243 -15.046
  281    HE2  HIS  40           HE2      HIS  40  -4.048   7.932 -13.268
  282    H    THR  41           HN       THR  41  -8.118   9.781  -8.228
  283    HA   THR  41           HA       THR  41  -5.277  10.154  -7.739
  284    HB   THR  41           HB       THR  41  -6.496  12.136  -8.458
  285    HG1  THR  41           HG1      THR  41  -5.285  13.331  -7.195
  286   HG21  THR  41          HG21      THR  41  -8.669  11.593  -7.418
  287   HG22  THR  41          HG22      THR  41  -8.114  13.215  -7.005
  288   HG23  THR  41          HG23      THR  41  -7.949  11.903  -5.838
  289    HA   PRO  42           HA       PRO  42  -5.377   8.638  -3.587
  290    HB2  PRO  42           HB2      PRO  42  -3.037  10.246  -3.043
  291    HB3  PRO  42           HB1      PRO  42  -3.151   8.501  -3.246
  292    HG2  PRO  42           HG2      PRO  42  -1.914  10.165  -5.032
  293    HG3  PRO  42           HG1      PRO  42  -2.609   8.586  -5.430
  294    HD2  PRO  42           HD2      PRO  42  -3.733  11.308  -5.960
  295    HD3  PRO  42           HD1      PRO  42  -3.810   9.814  -6.912
  296    H    GLU  43           HN       GLU  43  -5.635  11.875  -4.541
  297    HA   GLU  43           HA       GLU  43  -5.595  13.224  -2.084
  298    HB2  GLU  43           HB2      GLU  43  -6.973  13.771  -4.686
  299    HB3  GLU  43           HB1      GLU  43  -7.173  14.841  -3.303
  300    HG2  GLU  43           HG2      GLU  43  -4.580  14.101  -4.606
  301    HG3  GLU  43           HG1      GLU  43  -5.445  15.619  -4.834
  302    H    SER  44           HN       SER  44  -8.085  11.334  -3.643
  303    HA   SER  44           HA       SER  44 -10.095  12.071  -1.696
  304    HB2  SER  44           HB2      SER  44 -10.214   9.938  -3.806
  305    HB3  SER  44           HB1      SER  44 -11.573  10.695  -2.987
  306    HG   SER  44           HG       SER  44 -10.428  12.713  -3.963
  307    H    ILE  45           HN       ILE  45  -7.471  10.220  -1.543
  308    HA   ILE  45           HA       ILE  45  -8.723   8.024  -0.032
  309    HB   ILE  45           HB       ILE  45  -5.950   8.052  -1.198
  310   HG12  ILE  45          HG12      ILE  45  -7.543   8.239  -3.023
  311   HG13  ILE  45          HG11      ILE  45  -6.846   6.627  -2.987
  312   HG21  ILE  45          HG21      ILE  45  -6.322   6.480   0.660
  313   HG22  ILE  45          HG22      ILE  45  -6.018   5.653  -0.867
  314   HG23  ILE  45          HG23      ILE  45  -7.662   5.762  -0.238
  315   HD11  ILE  45          HD11      ILE  45  -9.560   7.371  -1.939
  316   HD12  ILE  45          HD12      ILE  45  -8.858   5.751  -1.971
  317   HD13  ILE  45          HD13      ILE  45  -9.220   6.587  -3.481
  318    H    SER  46           HN       SER  46  -8.805   9.102   1.972
  319    HA   SER  46           HA       SER  46  -6.456  10.240   3.147
  320    HB2  SER  46           HB2      SER  46  -8.884  10.788   3.753
  321    HB3  SER  46           HB1      SER  46  -8.880   9.263   4.625
  322    HG   SER  46           HG       SER  46  -7.453  11.616   5.160
  323    HA   PRO  47           HA       PRO  47  -4.701   6.417   4.379
  324    HB2  PRO  47           HB2      PRO  47  -2.762   7.263   5.958
  325    HB3  PRO  47           HB1      PRO  47  -2.827   7.841   4.293
  326    HG2  PRO  47           HG2      PRO  47  -3.641   9.223   6.807
  327    HG3  PRO  47           HG1      PRO  47  -2.827   9.883   5.382
  328    HD2  PRO  47           HD2      PRO  47  -5.585   9.991   5.940
  329    HD3  PRO  47           HD1      PRO  47  -4.815  10.355   4.372
  330    H    ALA  48           HN       ALA  48  -6.620   8.177   6.332
  331    HA   ALA  48           HA       ALA  48  -6.243   6.403   8.610
  332    HB1  ALA  48           HB1      ALA  48  -5.290   8.680   8.863
  333    HB2  ALA  48           HB2      ALA  48  -6.477   8.229  10.096
  334    HB3  ALA  48           HB3      ALA  48  -6.938   9.307   8.777
  335    H    THR  49           HN       THR  49  -8.297   7.374   6.234
  336    HA   THR  49           HA       THR  49 -10.806   7.476   7.504
  337    HB   THR  49           HB       THR  49  -9.887   6.839   4.719
  338    HG1  THR  49           HG1      THR  49 -11.135   8.818   4.343
  339   HG21  THR  49          HG21      THR  49 -12.218   6.790   3.992
  340   HG22  THR  49          HG22      THR  49 -12.737   6.863   5.676
  341   HG23  THR  49          HG23      THR  49 -11.831   5.465   5.090
  342    H    ALA  50           HN       ALA  50  -8.941   4.929   6.055
  343    HA   ALA  50           HA       ALA  50  -8.748   2.705   6.699
  344    HB1  ALA  50           HB1      ALA  50 -10.504   1.456   7.748
  345    HB2  ALA  50           HB2      ALA  50 -11.628   2.808   7.570
  346    HB3  ALA  50           HB3      ALA  50 -10.238   2.949   8.652
  347    H    PHE  51           HN       PHE  51  -8.844   1.166   5.333
  348    HA   PHE  51           HA       PHE  51  -9.810   1.439   2.765
  349    HB2  PHE  51           HB2      PHE  51  -9.183  -1.010   4.389
  350    HB3  PHE  51           HB1      PHE  51  -9.528  -1.070   2.661
  351    HD1  PHE  51           HD1      PHE  51  -8.195   1.182   1.574
  352    HD2  PHE  51           HD2      PHE  51  -6.975  -1.390   4.715
  353    HE1  PHE  51           HE1      PHE  51  -5.855   1.716   1.089
  354    HE2  PHE  51           HE2      PHE  51  -4.625  -0.868   4.249
  355    HZ   PHE  51           HZ       PHE  51  -4.064   0.721   2.430
  356    H    LYS  52           HN       LYS  52 -11.274  -0.282   5.476
  357    HA   LYS  52           HA       LYS  52 -13.540  -1.290   4.305
  358    HB2  LYS  52           HB2      LYS  52 -13.292   0.069   6.995
  359    HB3  LYS  52           HB1      LYS  52 -14.620  -0.979   6.523
  360    HG2  LYS  52           HG2      LYS  52 -12.903  -2.798   6.218
  361    HG3  LYS  52           HG1      LYS  52 -11.740  -1.708   6.964
  362    HD2  LYS  52           HD2      LYS  52 -14.311  -2.600   8.266
  363    HD3  LYS  52           HD1      LYS  52 -12.745  -3.350   8.527
  364    HE2  LYS  52           HE2      LYS  52 -13.052  -1.920  10.342
  365    HE3  LYS  52           HE1      LYS  52 -11.915  -1.120   9.273
  366    HZ1  LYS  52           HZ1      LYS  52 -13.625   0.368  10.209
  367    HZ2  LYS  52           HZ2      LYS  52 -14.819  -0.505   9.393
  368    HZ3  LYS  52           HZ3      LYS  52 -13.647   0.344   8.522
  369    H    ASP  53           HN       ASP  53 -12.903   1.910   5.581
  370    HA   ASP  53           HA       ASP  53 -15.563   2.875   5.145
  371    HB2  ASP  53           HB2      ASP  53 -13.013   4.196   6.105
  372    HB3  ASP  53           HB1      ASP  53 -14.559   5.042   5.968
  373    H    LEU  54           HN       LEU  54 -12.920   2.418   3.262
  374    HA   LEU  54           HA       LEU  54 -13.286   4.723   1.531
  375    HB2  LEU  54           HB2      LEU  54 -11.266   2.535   1.767
  376    HB3  LEU  54           HB1      LEU  54 -11.367   3.448   0.283
  377    HG   LEU  54           HG       LEU  54 -10.975   4.735   2.981
  378   HD11  LEU  54          HD11      LEU  54  -9.116   3.243   2.614
  379   HD12  LEU  54          HD12      LEU  54  -8.606   4.915   2.384
  380   HD13  LEU  54          HD13      LEU  54  -8.893   3.883   0.986
  381   HD21  LEU  54          HD21      LEU  54 -10.122   6.584   1.602
  382   HD22  LEU  54          HD22      LEU  54 -11.812   6.210   1.271
  383   HD23  LEU  54          HD23      LEU  54 -10.557   5.674   0.157
  384    H    GLY  55           HN       GLY  55 -14.044   1.334   1.717
  385    HA2  GLY  55           HA2      GLY  55 -15.945   0.735   0.210
  386    HA3  GLY  55           HA1      GLY  55 -14.985   1.436  -1.085
  387    H    ILE  56           HN       ILE  56 -12.844   0.046   0.927
  388    HA   ILE  56           HA       ILE  56 -12.250  -2.122  -0.773
  389    HB   ILE  56           HB       ILE  56 -11.348  -1.438   2.011
  390   HG12  ILE  56          HG12      ILE  56 -10.169   0.014   0.741
  391   HG13  ILE  56          HG11      ILE  56  -9.115  -1.374   0.603
  392   HG21  ILE  56          HG21      ILE  56 -11.098  -3.673   2.132
  393   HG22  ILE  56          HG22      ILE  56  -9.542  -3.192   1.438
  394   HG23  ILE  56          HG23      ILE  56 -10.807  -3.847   0.401
  395   HD11  ILE  56          HD11      ILE  56 -10.176  -1.940  -1.539
  396   HD12  ILE  56          HD12      ILE  56  -9.376  -0.370  -1.537
  397   HD13  ILE  56          HD13      ILE  56 -11.132  -0.458  -1.416
  398    H    ASP  57           HN       ASP  57 -13.880  -3.603  -1.014
  399    HA   ASP  57           HA       ASP  57 -14.468  -5.170   1.406
  400    HB2  ASP  57           HB2      ASP  57 -16.457  -3.910   0.726
  401    HB3  ASP  57           HB1      ASP  57 -16.353  -4.601  -0.889
  402    H    SER  58           HN       SER  58 -12.769  -6.564   0.930
  403    HA   SER  58           HA       SER  58 -11.980  -8.581   0.291
  404    HB2  SER  58           HB2      SER  58 -14.483  -8.980  -1.267
  405    HB3  SER  58           HB1      SER  58 -13.439 -10.216  -0.593
  406    HG   SER  58           HG       SER  58 -15.541  -9.308   0.539
  407    H    LEU  59           HN       LEU  59 -13.826  -7.708  -2.610
  408    HA   LEU  59           HA       LEU  59 -11.949  -8.688  -4.451
  409    HB2  LEU  59           HB2      LEU  59 -14.050  -6.548  -4.727
  410    HB3  LEU  59           HB1      LEU  59 -13.096  -7.129  -6.066
  411    HG   LEU  59           HG       LEU  59 -14.081  -9.349  -5.860
  412   HD11  LEU  59          HD11      LEU  59 -15.740  -8.183  -3.634
  413   HD12  LEU  59          HD12      LEU  59 -14.456  -9.377  -3.444
  414   HD13  LEU  59          HD13      LEU  59 -15.917  -9.789  -4.342
  415   HD21  LEU  59          HD21      LEU  59 -15.157  -7.749  -7.291
  416   HD22  LEU  59          HD22      LEU  59 -16.052  -7.084  -5.926
  417   HD23  LEU  59          HD23      LEU  59 -16.385  -8.726  -6.484
  418    H    THR  60           HN       THR  60 -12.583  -5.400  -3.328
  419    HA   THR  60           HA       THR  60 -10.425  -4.348  -4.904
  420    HB   THR  60           HB       THR  60 -10.967  -2.250  -3.447
  421    HG1  THR  60           HG1      THR  60 -13.509  -2.782  -3.166
  422   HG21  THR  60          HG21      THR  60 -12.711  -1.654  -5.040
  423   HG22  THR  60          HG22      THR  60 -12.917  -3.352  -5.470
  424   HG23  THR  60          HG23      THR  60 -11.403  -2.525  -5.849
  425    H    ALA  61           HN       ALA  61 -10.775  -5.787  -1.877
  426    HA   ALA  61           HA       ALA  61  -8.428  -4.607  -0.698
  427    HB1  ALA  61           HB1      ALA  61 -10.257  -5.646   0.643
  428    HB2  ALA  61           HB2      ALA  61  -8.640  -6.242   1.030
  429    HB3  ALA  61           HB3      ALA  61  -9.732  -7.223   0.045
  430    H    LEU  62           HN       LEU  62  -9.225  -7.486  -2.593
  431    HA   LEU  62           HA       LEU  62  -6.551  -8.469  -2.627
  432    HB2  LEU  62           HB2      LEU  62  -8.905  -9.595  -3.166
  433    HB3  LEU  62           HB1      LEU  62  -8.478  -9.090  -4.779
  434    HG   LEU  62           HG       LEU  62  -7.606 -11.173  -4.877
  435   HD11  LEU  62          HD11      LEU  62  -5.361  -9.829  -3.379
  436   HD12  LEU  62          HD12      LEU  62  -5.680  -9.690  -5.107
  437   HD13  LEU  62          HD13      LEU  62  -5.231 -11.251  -4.418
  438   HD21  LEU  62          HD21      LEU  62  -6.770 -12.417  -2.913
  439   HD22  LEU  62          HD22      LEU  62  -8.441 -11.879  -2.741
  440   HD23  LEU  62          HD23      LEU  62  -7.148 -11.018  -1.911
  441    H    GLU  63           HN       GLU  63  -8.579  -6.545  -4.915
  442    HA   GLU  63           HA       GLU  63  -6.633  -6.311  -6.895
  443    HB2  GLU  63           HB2      GLU  63  -8.774  -5.775  -7.568
  444    HB3  GLU  63           HB1      GLU  63  -9.153  -4.962  -6.060
  445    HG2  GLU  63           HG2      GLU  63  -9.107  -3.285  -7.657
  446    HG3  GLU  63           HG1      GLU  63  -7.582  -3.186  -6.774
  447    H    LEU  64           HN       LEU  64  -7.324  -4.442  -3.952
  448    HA   LEU  64           HA       LEU  64  -5.384  -2.465  -4.181
  449    HB2  LEU  64           HB2      LEU  64  -6.982  -3.541  -2.090
  450    HB3  LEU  64           HB1      LEU  64  -5.310  -3.618  -1.549
  451    HG   LEU  64           HG       LEU  64  -6.777  -1.138  -2.430
  452   HD11  LEU  64          HD11      LEU  64  -6.474  -0.473  -0.084
  453   HD12  LEU  64          HD12      LEU  64  -5.765  -2.052   0.266
  454   HD13  LEU  64          HD13      LEU  64  -7.458  -1.934  -0.228
  455   HD21  LEU  64          HD21      LEU  64  -4.398  -1.158  -3.088
  456   HD22  LEU  64          HD22      LEU  64  -3.966  -1.465  -1.407
  457   HD23  LEU  64          HD23      LEU  64  -4.753   0.051  -1.849
  458    H    ARG  65           HN       ARG  65  -5.246  -5.711  -3.058
  459    HA   ARG  65           HA       ARG  65  -2.560  -5.826  -2.248
  460    HB2  ARG  65           HB2      ARG  65  -4.210  -7.453  -1.492
  461    HB3  ARG  65           HB1      ARG  65  -4.437  -8.037  -3.138
  462    HG2  ARG  65           HG2      ARG  65  -1.739  -8.181  -1.835
  463    HG3  ARG  65           HG1      ARG  65  -2.974  -9.382  -1.462
  464    HD2  ARG  65           HD2      ARG  65  -3.123 -10.012  -3.786
  465    HD3  ARG  65           HD1      ARG  65  -2.018  -8.717  -4.245
  466    HE   ARG  65           HE       ARG  65  -0.822 -10.471  -2.350
  467   HH11  ARG  65          HH11      ARG  65  -1.693 -10.243  -5.735
  468   HH12  ARG  65          HH12      ARG  65  -0.414 -11.286  -6.263
  469   HH21  ARG  65          HH21      ARG  65   0.835 -11.859  -3.037
  470   HH22  ARG  65          HH22      ARG  65   1.033 -12.207  -4.726
  471    H    ASN  66           HN       ASN  66  -4.171  -6.779  -5.194
  472    HA   ASN  66           HA       ASN  66  -2.002  -7.775  -6.604
  473    HB2  ASN  66           HB2      ASN  66  -4.681  -6.686  -7.334
  474    HB3  ASN  66           HB1      ASN  66  -3.534  -7.029  -8.620
  475   HD21  ASN  66          HD21      ASN  66  -6.105  -8.332  -7.794
  476   HD22  ASN  66          HD22      ASN  66  -5.703 -10.001  -7.613
  477    H    THR  67           HN       THR  67  -3.105  -4.414  -6.265
  478    HA   THR  67           HA       THR  67  -1.095  -3.438  -8.057
  479    HB   THR  67           HB       THR  67  -2.516  -1.939  -5.864
  480    HG1  THR  67           HG1      THR  67  -4.117  -2.620  -7.200
  481   HG21  THR  67          HG21      THR  67  -1.087  -0.975  -8.343
  482   HG22  THR  67          HG22      THR  67  -0.556  -0.745  -6.675
  483   HG23  THR  67          HG23      THR  67  -2.024   0.048  -7.253
  484    H    LEU  68           HN       LEU  68  -1.405  -3.332  -4.517
  485    HA   LEU  68           HA       LEU  68   0.962  -2.087  -3.876
  486    HB2  LEU  68           HB2      LEU  68  -0.161  -4.425  -2.343
  487    HB3  LEU  68           HB1      LEU  68   0.787  -3.103  -1.707
  488    HG   LEU  68           HG       LEU  68  -1.921  -2.654  -2.903
  489   HD11  LEU  68          HD11      LEU  68  -1.315  -3.168  -0.004
  490   HD12  LEU  68          HD12      LEU  68  -1.947  -4.392  -1.100
  491   HD13  LEU  68          HD13      LEU  68  -2.892  -2.948  -0.759
  492   HD21  LEU  68          HD21      LEU  68  -1.867  -0.664  -1.513
  493   HD22  LEU  68          HD22      LEU  68  -0.451  -0.709  -2.562
  494   HD23  LEU  68          HD23      LEU  68  -0.300  -1.140  -0.859
  495    H    THR  69           HN       THR  69   0.441  -5.612  -3.983
  496    HA   THR  69           HA       THR  69   2.988  -6.425  -3.440
  497    HB   THR  69           HB       THR  69   0.602  -7.535  -4.761
  498    HG1  THR  69           HG1      THR  69   2.477  -8.722  -2.979
  499   HG21  THR  69          HG21      THR  69   1.692  -9.531  -5.632
  500   HG22  THR  69          HG22      THR  69   3.273  -8.843  -5.259
  501   HG23  THR  69          HG23      THR  69   2.242  -8.077  -6.474
  502    H    HIS  70           HN       HIS  70   1.629  -5.327  -6.474
  503    HA   HIS  70           HA       HIS  70   3.886  -6.036  -8.070
  504    HB2  HIS  70           HB2      HIS  70   1.577  -5.768  -8.981
  505    HB3  HIS  70           HB1      HIS  70   1.649  -4.074  -8.586
  506    HD1  HIS  70           HD1      HIS  70   2.516  -6.474 -11.222
  507    HD2  HIS  70           HD2      HIS  70   3.521  -2.575 -10.200
  508    HE1  HIS  70           HE1      HIS  70   3.528  -5.472 -13.295
  509    HE2  HIS  70           HE2      HIS  70   4.232  -3.147 -12.619
  510    H    ASN  71           HN       ASN  71   2.785  -3.200  -6.347
  511    HA   ASN  71           HA       ASN  71   4.743  -1.405  -7.355
  512    HB2  ASN  71           HB2      ASN  71   3.372  -1.184  -4.677
  513    HB3  ASN  71           HB1      ASN  71   4.021   0.117  -5.663
  514   HD21  ASN  71          HD21      ASN  71   2.842  -1.122  -8.088
  515   HD22  ASN  71          HD22      ASN  71   1.169  -0.722  -8.032
  516    H    THR  72           HN       THR  72   4.677  -3.668  -4.692
  517    HA   THR  72           HA       THR  72   7.070  -2.421  -3.539
  518    HB   THR  72           HB       THR  72   6.303  -3.329  -1.392
  519    HG1  THR  72           HG1      THR  72   3.880  -4.055  -2.685
  520   HG21  THR  72          HG21      THR  72   4.746  -1.666  -1.014
  521   HG22  THR  72          HG22      THR  72   3.873  -2.009  -2.506
  522   HG23  THR  72          HG23      THR  72   5.393  -1.113  -2.564
  523    H    GLY  73           HN       GLY  73   5.847  -5.247  -5.009
  524    HA2  GLY  73           HA2      GLY  73   7.242  -6.920  -5.841
  525    HA3  GLY  73           HA1      GLY  73   8.531  -6.264  -4.857
  526    H    LEU  74           HN       LEU  74   5.808  -6.662  -3.019
  527    HA   LEU  74           HA       LEU  74   7.090  -8.865  -1.656
  528    HB2  LEU  74           HB2      LEU  74   5.825  -6.570  -0.826
  529    HB3  LEU  74           HB1      LEU  74   4.620  -7.800  -0.516
  530    HG   LEU  74           HG       LEU  74   6.358  -9.078   0.755
  531   HD11  LEU  74          HD11      LEU  74   7.915  -6.518   0.429
  532   HD12  LEU  74          HD12      LEU  74   8.280  -8.044  -0.377
  533   HD13  LEU  74          HD13      LEU  74   8.396  -7.925   1.386
  534   HD21  LEU  74          HD21      LEU  74   4.681  -7.573   1.818
  535   HD22  LEU  74          HD22      LEU  74   5.889  -6.288   1.782
  536   HD23  LEU  74          HD23      LEU  74   6.180  -7.746   2.729
  537    H    ASP  75           HN       ASP  75   6.510 -10.811  -1.707
  538    HA   ASP  75           HA       ASP  75   4.190 -11.586  -3.284
  539    HB2  ASP  75           HB2      ASP  75   6.424 -12.521  -3.755
  540    HB3  ASP  75           HB1      ASP  75   6.441 -13.210  -2.142
  541    H    LEU  76           HN       LEU  76   3.000 -10.681  -1.316
  542    HA   LEU  76           HA       LEU  76   2.497 -12.897   0.552
  543    HB2  LEU  76           HB2      LEU  76   2.183  -9.929   0.966
  544    HB3  LEU  76           HB1      LEU  76   1.566 -11.133   2.082
  545    HG   LEU  76           HG       LEU  76   4.468 -10.674   1.380
  546   HD11  LEU  76          HD11      LEU  76   4.673  -9.984   3.704
  547   HD12  LEU  76          HD12      LEU  76   2.942 -10.225   3.936
  548   HD13  LEU  76          HD13      LEU  76   3.518  -8.969   2.841
  549   HD21  LEU  76          HD21      LEU  76   4.087 -13.033   1.754
  550   HD22  LEU  76          HD22      LEU  76   3.199 -12.685   3.237
  551   HD23  LEU  76          HD23      LEU  76   4.925 -12.339   3.141
  552    HA   PRO  77           HA       PRO  77  -1.583 -13.268  -1.062
  553    HB2  PRO  77           HB2      PRO  77  -2.770 -14.466   1.056
  554    HB3  PRO  77           HB1      PRO  77  -1.584 -15.295   0.043
  555    HG2  PRO  77           HG2      PRO  77  -1.205 -13.947   2.689
  556    HG3  PRO  77           HG1      PRO  77  -0.610 -15.528   2.149
  557    HD2  PRO  77           HD2      PRO  77   0.951 -13.332   2.167
  558    HD3  PRO  77           HD1      PRO  77   1.119 -14.606   0.942
  559    HA   PRO  78           HA       PRO  78  -4.651 -10.279   0.478
  560    HB2  PRO  78           HB2      PRO  78  -6.655 -11.950   1.483
  561    HB3  PRO  78           HB1      PRO  78  -6.530 -11.360  -0.172
  562    HG2  PRO  78           HG2      PRO  78  -5.661 -13.973   0.976
  563    HG3  PRO  78           HG1      PRO  78  -6.420 -13.632  -0.591
  564    HD2  PRO  78           HD2      PRO  78  -3.822 -14.126  -0.453
  565    HD3  PRO  78           HD1      PRO  78  -4.428 -12.841  -1.515
  566    H    THR  79           HN       THR  79  -6.485 -10.510   2.571
  567    HA   THR  79           HA       THR  79  -6.756 -10.051   4.709
  568    HB   THR  79           HB       THR  79  -5.672 -11.325   6.459
  569    HG1  THR  79           HG1      THR  79  -3.809 -11.866   4.464
  570   HG21  THR  79          HG21      THR  79  -6.406 -13.021   4.079
  571   HG22  THR  79          HG22      THR  79  -7.525 -12.341   5.260
  572   HG23  THR  79          HG23      THR  79  -6.358 -13.569   5.755
  573    H    LEU  80           HN       LEU  80  -4.379  -8.861   3.030
  574    HA   LEU  80           HA       LEU  80  -2.706  -7.662   4.987
  575    HB2  LEU  80           HB2      LEU  80  -3.378  -6.707   2.199
  576    HB3  LEU  80           HB1      LEU  80  -2.059  -6.115   3.188
  577    HG   LEU  80           HG       LEU  80  -2.317  -8.911   2.077
  578   HD11  LEU  80          HD11      LEU  80  -1.790  -7.252   0.375
  579   HD12  LEU  80          HD12      LEU  80  -0.400  -8.286   0.700
  580   HD13  LEU  80          HD13      LEU  80  -0.455  -6.652   1.359
  581   HD21  LEU  80          HD21      LEU  80  -0.031  -9.218   2.931
  582   HD22  LEU  80          HD22      LEU  80  -1.196  -8.944   4.225
  583   HD23  LEU  80          HD23      LEU  80  -0.125  -7.640   3.713
  584    H    ILE  81           HN       ILE  81  -5.678  -6.694   3.371
  585    HA   ILE  81           HA       ILE  81  -5.822  -4.110   4.594
  586    HB   ILE  81           HB       ILE  81  -8.149  -5.704   3.497
  587   HG12  ILE  81          HG12      ILE  81  -6.543  -5.665   1.738
  588   HG13  ILE  81          HG11      ILE  81  -7.688  -4.384   1.406
  589   HG21  ILE  81          HG21      ILE  81  -7.723  -2.739   3.456
  590   HG22  ILE  81          HG22      ILE  81  -8.554  -3.556   4.786
  591   HG23  ILE  81          HG23      ILE  81  -9.210  -3.632   3.148
  592   HD11  ILE  81          HD11      ILE  81  -5.320  -3.792   1.030
  593   HD12  ILE  81          HD12      ILE  81  -5.059  -3.958   2.772
  594   HD13  ILE  81          HD13      ILE  81  -6.175  -2.738   2.156
  595    H    PHE  82           HN       PHE  82  -6.949  -7.293   5.352
  596    HA   PHE  82           HA       PHE  82  -8.604  -6.669   7.515
  597    HB2  PHE  82           HB2      PHE  82  -7.070  -9.179   6.834
  598    HB3  PHE  82           HB1      PHE  82  -8.312  -9.075   8.073
  599    HD1  PHE  82           HD1      PHE  82 -10.472  -9.593   7.536
  600    HD2  PHE  82           HD2      PHE  82  -7.828  -8.373   4.425
  601    HE1  PHE  82           HE1      PHE  82 -12.215 -10.056   5.871
  602    HE2  PHE  82           HE2      PHE  82  -9.570  -8.842   2.759
  603    HZ   PHE  82           HZ       PHE  82 -11.767  -9.681   3.479
  604    H    ASP  83           HN       ASP  83  -5.139  -7.370   7.318
  605    HA   ASP  83           HA       ASP  83  -4.829  -7.140  10.195
  606    HB2  ASP  83           HB2      ASP  83  -3.452  -8.718   8.824
  607    HB3  ASP  83           HB1      ASP  83  -2.687  -7.329   8.073
  608    H    HIS  84           HN       HIS  84  -4.488  -5.173   7.359
  609    HA   HIS  84           HA       HIS  84  -3.691  -2.899   9.046
  610    HB2  HIS  84           HB2      HIS  84  -2.578  -3.654   6.350
  611    HB3  HIS  84           HB1      HIS  84  -2.366  -2.064   7.056
  612    HD1  HIS  84           HD1      HIS  84  -0.713  -1.884   9.079
  613    HD2  HIS  84           HD2      HIS  84  -1.076  -5.709   7.488
  614    HE1  HIS  84           HE1      HIS  84   1.185  -3.204  10.052
  615    HE2  HIS  84           HE2      HIS  84   0.821  -5.555   9.234
  616    HA   PRO  85           HA       PRO  85  -7.507  -2.104   6.820
  617    HB2  PRO  85           HB2      PRO  85  -8.851  -0.884   8.763
  618    HB3  PRO  85           HB1      PRO  85  -8.485  -2.612   8.854
  619    HG2  PRO  85           HG2      PRO  85  -7.123  -0.314  10.206
  620    HG3  PRO  85           HG1      PRO  85  -7.548  -1.906  10.862
  621    HD2  PRO  85           HD2      PRO  85  -5.044  -1.192   9.912
  622    HD3  PRO  85           HD1      PRO  85  -5.635  -2.858  10.069
  623    H    THR  86           HN       THR  86  -5.112   0.186   7.452
  624    HA   THR  86           HA       THR  86  -6.802   2.186   6.140
  625    HB   THR  86           HB       THR  86  -5.642   3.989   7.306
  626    HG1  THR  86           HG1      THR  86  -4.502   2.959   9.353
  627   HG21  THR  86          HG21      THR  86  -6.862   1.956   9.173
  628   HG22  THR  86          HG22      THR  86  -7.713   3.230   8.300
  629   HG23  THR  86          HG23      THR  86  -6.571   3.647   9.576
  630    HA   PRO  87           HA       PRO  87  -3.610   2.445   3.033
  631    HB2  PRO  87           HB2      PRO  87  -3.722   5.390   3.296
  632    HB3  PRO  87           HB1      PRO  87  -3.884   4.380   1.861
  633    HG2  PRO  87           HG2      PRO  87  -6.020   5.539   2.978
  634    HG3  PRO  87           HG1      PRO  87  -6.109   3.924   2.254
  635    HD2  PRO  87           HD2      PRO  87  -6.038   4.711   5.131
  636    HD3  PRO  87           HD1      PRO  87  -6.891   3.368   4.343
  637    H    HIS  88           HN       HIS  88  -3.371   4.516   5.859
  638    HA   HIS  88           HA       HIS  88  -0.563   4.813   5.900
  639    HB2  HIS  88           HB2      HIS  88  -2.143   6.118   7.310
  640    HB3  HIS  88           HB1      HIS  88  -2.491   4.665   8.230
  641    HD1  HIS  88           HD1      HIS  88   0.710   6.557   7.310
  642    HD2  HIS  88           HD2      HIS  88  -1.127   4.669  10.528
  643    HE1  HIS  88           HE1      HIS  88   2.278   6.849   9.247
  644    HE2  HIS  88           HE2      HIS  88   1.050   5.882  11.222
  645    H    ALA  89           HN       ALA  89  -2.704   2.479   7.511
  646    HA   ALA  89           HA       ALA  89  -0.784   0.904   8.751
  647    HB1  ALA  89           HB1      ALA  89  -3.451   0.073   7.633
  648    HB2  ALA  89           HB2      ALA  89  -3.151   0.740   9.243
  649    HB3  ALA  89           HB3      ALA  89  -2.494  -0.841   8.802
  650    H    LEU  90           HN       LEU  90  -2.410   0.170   5.620
  651    HA   LEU  90           HA       LEU  90  -0.959  -2.038   4.894
  652    HB2  LEU  90           HB2      LEU  90  -2.747  -0.326   3.665
  653    HB3  LEU  90           HB1      LEU  90  -1.318  -0.194   2.687
  654    HG   LEU  90           HG       LEU  90  -1.319  -2.539   2.210
  655   HD11  LEU  90          HD11      LEU  90  -3.707  -2.695   4.041
  656   HD12  LEU  90          HD12      LEU  90  -2.110  -3.375   4.352
  657   HD13  LEU  90          HD13      LEU  90  -3.093  -4.006   3.036
  658   HD21  LEU  90          HD21      LEU  90  -3.454  -2.708   1.021
  659   HD22  LEU  90          HD22      LEU  90  -2.699  -1.128   0.809
  660   HD23  LEU  90          HD23      LEU  90  -4.055  -1.319   1.924
  661    H    THR  91           HN       THR  91  -0.188   1.336   4.385
  662    HA   THR  91           HA       THR  91   2.140   0.989   2.945
  663    HB   THR  91           HB       THR  91   1.141   3.170   4.765
  664    HG1  THR  91           HG1      THR  91   0.158   3.327   2.856
  665   HG21  THR  91          HG21      THR  91   3.047   4.569   3.799
  666   HG22  THR  91          HG22      THR  91   3.825   3.025   3.438
  667   HG23  THR  91          HG23      THR  91   3.433   3.446   5.102
  668    H    GLN  92           HN       GLN  92   1.614   1.319   6.425
  669    HA   GLN  92           HA       GLN  92   4.235   1.189   7.320
  670    HB2  GLN  92           HB2      GLN  92   1.694   0.187   8.603
  671    HB3  GLN  92           HB1      GLN  92   3.219   0.357   9.452
  672    HG2  GLN  92           HG2      GLN  92   3.095   2.817   8.601
  673    HG3  GLN  92           HG1      GLN  92   1.380   2.453   8.421
  674   HE21  GLN  92          HE21      GLN  92   0.164   1.931  10.278
  675   HE22  GLN  92          HE22      GLN  92   0.694   2.410  11.852
  676    H    HIS  93           HN       HIS  93   2.052  -1.349   6.342
  677    HA   HIS  93           HA       HIS  93   3.526  -3.568   7.235
  678    HB2  HIS  93           HB2      HIS  93   1.259  -3.889   6.579
  679    HB3  HIS  93           HB1      HIS  93   1.542  -3.191   4.992
  680    HD1  HIS  93           HD1      HIS  93   2.608  -6.272   6.973
  681    HD2  HIS  93           HD2      HIS  93   1.929  -5.030   3.055
  682    HE1  HIS  93           HE1      HIS  93   2.834  -8.333   5.558
  683    HE2  HIS  93           HE2      HIS  93   2.223  -7.595   3.233
  684    H    LEU  94           HN       LEU  94   3.463  -2.043   3.989
  685    HA   LEU  94           HA       LEU  94   5.573  -3.759   3.041
  686    HB2  LEU  94           HB2      LEU  94   4.373  -1.255   1.840
  687    HB3  LEU  94           HB1      LEU  94   5.399  -2.405   1.003
  688    HG   LEU  94           HG       LEU  94   2.786  -3.234   2.240
  689   HD11  LEU  94          HD11      LEU  94   1.614  -2.838   0.283
  690   HD12  LEU  94          HD12      LEU  94   3.077  -2.543  -0.658
  691   HD13  LEU  94          HD13      LEU  94   2.540  -1.356   0.548
  692   HD21  LEU  94          HD21      LEU  94   4.406  -4.392  -0.043
  693   HD22  LEU  94          HD22      LEU  94   2.940  -5.078   0.666
  694   HD23  LEU  94          HD23      LEU  94   4.418  -4.989   1.621
  695    H    HIS  95           HN       HIS  95   5.420  -0.716   4.654
  696    HA   HIS  95           HA       HIS  95   7.976   0.293   3.773
  697    HB2  HIS  95           HB2      HIS  95   6.148   1.778   4.579
  698    HB3  HIS  95           HB1      HIS  95   6.281   1.054   6.174
  699    HD1  HIS  95           HD1      HIS  95   8.331   1.737   7.619
  700    HD2  HIS  95           HD2      HIS  95   8.073   3.700   3.959
  701    HE1  HIS  95           HE1      HIS  95   9.921   3.673   7.775
  702    HE2  HIS  95           HE2      HIS  95   9.521   4.986   5.671
  703    H    THR  96           HN       THR  96   6.759  -1.797   6.274
  704    HA   THR  96           HA       THR  96   9.233  -1.765   7.772
  705    HB   THR  96           HB       THR  96   6.472  -2.607   8.196
  706    HG1  THR  96           HG1      THR  96   7.220  -2.292  10.427
  707   HG21  THR  96          HG21      THR  96   7.384  -4.845   8.036
  708   HG22  THR  96          HG22      THR  96   6.936  -4.476   9.703
  709   HG23  THR  96          HG23      THR  96   8.633  -4.447   9.218
  710    H    ARG  97           HN       ARG  97   7.441  -3.758   5.503
  711    HA   ARG  97           HA       ARG  97   9.083  -6.043   5.756
  712    HB2  ARG  97           HB2      ARG  97   7.059  -5.152   3.744
  713    HB3  ARG  97           HB1      ARG  97   8.009  -6.607   3.478
  714    HG2  ARG  97           HG2      ARG  97   6.389  -6.100   5.939
  715    HG3  ARG  97           HG1      ARG  97   5.787  -6.996   4.542
  716    HD2  ARG  97           HD2      ARG  97   7.700  -8.549   4.801
  717    HD3  ARG  97           HD1      ARG  97   8.162  -7.696   6.266
  718    HE   ARG  97           HE       ARG  97   5.466  -8.618   6.373
  719   HH11  ARG  97          HH11      ARG  97   8.802  -9.596   6.769
  720   HH12  ARG  97          HH12      ARG  97   8.419 -10.926   7.819
  721   HH21  ARG  97          HH21      ARG  97   4.956 -10.369   7.739
  722   HH22  ARG  97          HH22      ARG  97   6.230 -11.363   8.370
  723    H    LEU  98           HN       LEU  98   9.448  -3.110   4.016
  724    HA   LEU  98           HA       LEU  98  11.235  -3.802   2.046
  725    HB2  LEU  98           HB2      LEU  98  10.795  -1.404   3.641
  726    HB3  LEU  98           HB1      LEU  98  12.420  -1.545   3.032
  727    HG   LEU  98           HG       LEU  98  11.672  -0.569   1.175
  728   HD11  LEU  98          HD11      LEU  98  10.657  -1.949  -0.503
  729   HD12  LEU  98          HD12      LEU  98  10.070  -3.079   0.718
  730   HD13  LEU  98          HD13      LEU  98  11.806  -2.925   0.414
  731   HD21  LEU  98          HD21      LEU  98   8.879  -1.312   1.972
  732   HD22  LEU  98          HD22      LEU  98   9.340  -0.193   0.686
  733   HD23  LEU  98          HD23      LEU  98   9.705   0.194   2.368
  734    H    THR  99           HN       THR  99  11.811  -3.593   5.489
  735    HA   THR  99           HA       THR  99  14.596  -4.339   5.151
  736    HB   THR  99           HB       THR  99  14.664  -3.962   7.604
  737    HG1  THR  99           HG1      THR  99  12.793  -2.964   8.547
  738   HG21  THR  99          HG21      THR  99  13.452  -1.720   6.001
  739   HG22  THR  99          HG22      THR  99  15.172  -2.119   6.096
  740   HG23  THR  99          HG23      THR  99  14.323  -1.532   7.527
  741    H    GLN 100           HN       GLN 100  11.731  -5.333   6.942
  742    HA   GLN 100           HA       GLN 100  12.889  -7.830   7.757
  743    HB2  GLN 100           HB2      GLN 100  10.046  -6.913   8.071
  744    HB3  GLN 100           HB1      GLN 100  10.917  -8.062   9.049
  745    HG2  GLN 100           HG2      GLN 100  11.717  -5.236   8.837
  746    HG3  GLN 100           HG1      GLN 100  10.591  -5.795  10.054
  747   HE21  GLN 100          HE21      GLN 100  13.879  -5.761   8.977
  748   HE22  GLN 100          HE22      GLN 100  14.577  -6.431  10.409
  749    H    SER 101           HN       SER 101  13.197  -8.603   5.478
  750    HA   SER 101           HA       SER 101  11.090 -10.448   4.853
  751    HB2  SER 101           HB2      SER 101  10.872  -9.693   2.475
  752    HB3  SER 101           HB1      SER 101  10.215  -8.554   3.653
  753    HG   SER 101           HG       SER 101  11.581  -7.127   2.978
  754    H    HIS 102           HN       HIS 102  11.813 -11.421   2.472
  755    HA   HIS 102           HA       HIS 102  14.682 -11.937   2.699
  756    HB2  HIS 102           HB2      HIS 102  14.261 -14.321   2.078
  757    HB3  HIS 102           HB1      HIS 102  13.677 -13.875   3.662
  758    HD1  HIS 102           HD1      HIS 102  12.676 -15.842   0.945
  759    HD2  HIS 102           HD2      HIS 102  10.749 -13.031   3.311
  760    HE1  HIS 102           HE1      HIS 102  10.221 -16.346   0.721
  761    HE2  HIS 102           HE2      HIS 102   9.082 -14.737   2.291
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   8.980  -4.627 -18.490
    2    H2   GLY   1           HT2      GLY   1   7.978  -3.594 -17.608
    3    H3   GLY   1           HT3      GLY   1   7.305  -4.829 -18.540
    4    HA2  GLY   1           HA1      GLY   1   7.277  -5.409 -16.200
    5    HA3  GLY   1           HA2      GLY   1   8.284  -6.503 -17.135
    6    H    ALA   2           HN       ALA   2   8.595  -6.311 -14.428
    7    HA   ALA   2           HA       ALA   2  11.306  -5.245 -14.248
    8    HB1  ALA   2           HB1      ALA   2  10.867  -4.176 -12.096
    9    HB2  ALA   2           HB2      ALA   2   9.161  -4.599 -12.226
   10    HB3  ALA   2           HB3      ALA   2   9.876  -3.461 -13.368
   11    H    ALA   3           HN       ALA   3  12.626  -6.425 -12.903
   12    HA   ALA   3           HA       ALA   3  11.682  -9.072 -12.277
   13    HB1  ALA   3           HB1      ALA   3  14.397  -7.858 -11.792
   14    HB2  ALA   3           HB2      ALA   3  13.898  -8.671 -13.274
   15    HB3  ALA   3           HB3      ALA   3  13.989  -9.573 -11.761
   16    H    SER   4           HN       SER   4  11.465  -6.251 -10.659
   17    HA   SER   4           HA       SER   4  10.587  -7.184  -8.251
   18    HB2  SER   4           HB2      SER   4  12.810  -8.057  -7.754
   19    HB3  SER   4           HB1      SER   4  13.530  -6.486  -8.100
   20    HG   SER   4           HG       SER   4  12.266  -7.377  -5.837
   21    H    ALA   5           HN       ALA   5   9.236  -5.496  -7.972
   22    HA   ALA   5           HA       ALA   5  10.259  -2.801  -8.337
   23    HB1  ALA   5           HB1      ALA   5   7.968  -2.079  -7.940
   24    HB2  ALA   5           HB2      ALA   5   7.506  -3.730  -7.526
   25    HB3  ALA   5           HB3      ALA   5   8.022  -3.343  -9.168
   26    H    ALA   6           HN       ALA   6  10.604  -4.970  -5.970
   27    HA   ALA   6           HA       ALA   6  10.029  -3.282  -3.685
   28    HB1  ALA   6           HB1      ALA   6   9.869  -5.655  -3.364
   29    HB2  ALA   6           HB2      ALA   6  11.248  -5.069  -2.430
   30    HB3  ALA   6           HB3      ALA   6  11.511  -5.899  -3.968
   31    H    THR   7           HN       THR   7  12.517  -3.888  -5.901
   32    HA   THR   7           HA       THR   7  14.487  -2.473  -4.289
   33    HB   THR   7           HB       THR   7  15.259  -4.546  -5.308
   34    HG1  THR   7           HG1      THR   7  16.453  -2.209  -5.499
   35   HG21  THR   7          HG21      THR   7  15.498  -4.772  -7.733
   36   HG22  THR   7          HG22      THR   7  14.690  -3.221  -7.957
   37   HG23  THR   7          HG23      THR   7  13.804  -4.586  -7.275
   38    H    ASP   8           HN       ASP   8  12.044  -1.836  -6.415
   39    HA   ASP   8           HA       ASP   8  13.300   0.592  -7.442
   40    HB2  ASP   8           HB2      ASP   8  11.109  -1.099  -8.328
   41    HB3  ASP   8           HB1      ASP   8  10.636   0.590  -8.187
   42    H    LEU   9           HN       LEU   9  10.874  -0.726  -5.353
   43    HA   LEU   9           HA       LEU   9   9.550   1.699  -4.770
   44    HB2  LEU   9           HB2      LEU   9   8.441  -0.339  -4.248
   45    HB3  LEU   9           HB1      LEU   9   9.775  -0.894  -3.262
   46    HG   LEU   9           HG       LEU   9   9.363   1.090  -1.772
   47   HD11  LEU   9          HD11      LEU   9   8.072   2.388  -3.392
   48   HD12  LEU   9          HD12      LEU   9   7.202   2.151  -1.863
   49   HD13  LEU   9          HD13      LEU   9   6.761   1.192  -3.279
   50   HD21  LEU   9          HD21      LEU   9   7.168  -0.946  -1.969
   51   HD22  LEU   9          HD22      LEU   9   7.649  -0.044  -0.537
   52   HD23  LEU   9          HD23      LEU   9   8.747  -1.220  -1.251
   53    H    ALA  10           HN       ALA  10  11.753  -0.305  -2.934
   54    HA   ALA  10           HA       ALA  10  12.426   1.598  -0.959
   55    HB1  ALA  10           HB1      ALA  10  14.394   0.153  -0.545
   56    HB2  ALA  10           HB2      ALA  10  13.998  -0.758  -2.006
   57    HB3  ALA  10           HB3      ALA  10  12.877  -0.744  -0.640
   58    H    ALA  11           HN       ALA  11  13.013   1.777  -4.218
   59    HA   ALA  11           HA       ALA  11  15.553   3.140  -4.072
   60    HB1  ALA  11           HB1      ALA  11  15.134   3.626  -6.456
   61    HB2  ALA  11           HB2      ALA  11  13.561   2.831  -6.307
   62    HB3  ALA  11           HB3      ALA  11  15.047   1.907  -6.074
   63    H    ARG  12           HN       ARG  12  12.062   3.948  -4.444
   64    HA   ARG  12           HA       ARG  12  12.344   6.742  -4.474
   65    HB2  ARG  12           HB2      ARG  12  10.220   4.817  -3.630
   66    HB3  ARG  12           HB1      ARG  12  10.008   6.515  -3.282
   67    HG2  ARG  12           HG2      ARG  12   8.847   6.237  -5.232
   68    HG3  ARG  12           HG1      ARG  12  10.413   6.804  -5.806
   69    HD2  ARG  12           HD2      ARG  12  10.103   3.904  -5.504
   70    HD3  ARG  12           HD1      ARG  12   9.149   4.653  -6.787
   71    HE   ARG  12           HE       ARG  12  11.945   5.396  -6.765
   72   HH11  ARG  12          HH11      ARG  12   9.528   3.190  -8.009
   73   HH12  ARG  12          HH12      ARG  12  10.497   2.690  -9.358
   74   HH21  ARG  12          HH21      ARG  12  13.214   4.747  -8.546
   75   HH22  ARG  12          HH22      ARG  12  12.593   3.569  -9.662
   76    H    LEU  13           HN       LEU  13  12.538   4.371  -1.981
   77    HA   LEU  13           HA       LEU  13  11.997   6.222   0.173
   78    HB2  LEU  13           HB2      LEU  13  12.502   3.292  -0.027
   79    HB3  LEU  13           HB1      LEU  13  12.542   4.087   1.530
   80    HG   LEU  13           HG       LEU  13  10.224   4.694   1.362
   81   HD11  LEU  13          HD11      LEU  13  10.388   3.706  -1.440
   82   HD12  LEU  13          HD12      LEU  13   9.913   5.305  -0.847
   83   HD13  LEU  13          HD13      LEU  13   8.861   3.914  -0.572
   84   HD21  LEU  13          HD21      LEU  13  10.619   1.850   0.510
   85   HD22  LEU  13          HD22      LEU  13   9.167   2.510   1.263
   86   HD23  LEU  13          HD23      LEU  13  10.683   2.464   2.162
   87    H    ASN  14           HN       ASN  14  14.615   4.212  -0.949
   88    HA   ASN  14           HA       ASN  14  16.621   4.953   0.803
   89    HB2  ASN  14           HB2      ASN  14  16.414   3.935  -1.956
   90    HB3  ASN  14           HB1      ASN  14  17.981   4.639  -1.515
   91   HD21  ASN  14          HD21      ASN  14  17.153   1.883  -2.126
   92   HD22  ASN  14          HD22      ASN  14  17.604   0.929  -0.761
   93    H    GLY  15           HN       GLY  15  17.679   6.766   1.183
   94    HA2  GLY  15           HA2      GLY  15  18.721   8.812   0.592
   95    HA3  GLY  15           HA1      GLY  15  17.690   8.900  -0.831
   96    H    LEU  16           HN       LEU  16  15.555   7.969   1.267
   97    HA   LEU  16           HA       LEU  16  14.852  10.713   2.032
   98    HB2  LEU  16           HB2      LEU  16  13.247   8.366   1.145
   99    HB3  LEU  16           HB1      LEU  16  12.506   9.525   2.218
  100    HG   LEU  16           HG       LEU  16  11.896  10.075  -0.021
  101   HD11  LEU  16          HD11      LEU  16  12.586  12.337  -0.090
  102   HD12  LEU  16          HD12      LEU  16  14.066  11.970   0.795
  103   HD13  LEU  16          HD13      LEU  16  12.501  11.862   1.611
  104   HD21  LEU  16          HD21      LEU  16  13.540  10.603  -1.746
  105   HD22  LEU  16          HD22      LEU  16  13.709   8.934  -1.203
  106   HD23  LEU  16          HD23      LEU  16  14.847  10.162  -0.647
  107    H    SER  17           HN       SER  17  13.582  10.957   3.965
  108    HA   SER  17           HA       SER  17  14.559   9.378   6.178
  109    HB2  SER  17           HB2      SER  17  12.647  11.716   6.000
  110    HB3  SER  17           HB1      SER  17  13.190  10.994   7.506
  111    HG   SER  17           HG       SER  17  15.299  11.563   5.928
  112    HA   PRO  18           HA       PRO  18  11.533   6.307   6.633
  113    HB2  PRO  18           HB2      PRO  18  10.808   7.566   9.253
  114    HB3  PRO  18           HB1      PRO  18  11.132   5.868   8.874
  115    HG2  PRO  18           HG2      PRO  18  13.013   7.292  10.042
  116    HG3  PRO  18           HG1      PRO  18  13.442   6.228   8.689
  117    HD2  PRO  18           HD2      PRO  18  13.134   9.194   8.726
  118    HD3  PRO  18           HD1      PRO  18  14.318   8.189   7.865
  119    H    GLN  19           HN       GLN  19  10.248   9.392   7.865
  120    HA   GLN  19           HA       GLN  19   7.523   8.873   7.328
  121    HB2  GLN  19           HB2      GLN  19   8.391  10.698   8.786
  122    HB3  GLN  19           HB1      GLN  19   8.936  11.540   7.345
  123    HG2  GLN  19           HG2      GLN  19   6.945  12.585   7.728
  124    HG3  GLN  19           HG1      GLN  19   6.460  11.310   6.613
  125   HE21  GLN  19          HE21      GLN  19   5.236   9.598   7.361
  126   HE22  GLN  19          HE22      GLN  19   4.446   9.622   8.897
  127    H    GLN  20           HN       GLN  20  10.097  10.205   5.318
  128    HA   GLN  20           HA       GLN  20   8.377  11.098   3.200
  129    HB2  GLN  20           HB2      GLN  20  11.347  10.558   3.354
  130    HB3  GLN  20           HB1      GLN  20  10.558  11.177   1.907
  131    HG2  GLN  20           HG2      GLN  20  10.682  12.516   4.589
  132    HG3  GLN  20           HG1      GLN  20  11.614  12.954   3.168
  133   HE21  GLN  20          HE21      GLN  20   9.394  12.559   1.329
  134   HE22  GLN  20          HE22      GLN  20   8.320  13.893   1.579
  135    H    GLN  21           HN       GLN  21  10.538   8.379   3.746
  136    HA   GLN  21           HA       GLN  21  10.083   6.807   1.515
  137    HB2  GLN  21           HB2      GLN  21  10.414   5.992   4.412
  138    HB3  GLN  21           HB1      GLN  21  10.639   4.918   3.047
  139    HG2  GLN  21           HG2      GLN  21  12.526   6.204   2.291
  140    HG3  GLN  21           HG1      GLN  21  12.260   7.404   3.561
  141   HE21  GLN  21          HE21      GLN  21  14.596   5.769   3.029
  142   HE22  GLN  21          HE22      GLN  21  14.887   4.853   4.470
  143    H    GLN  22           HN       GLN  22   8.298   7.065   4.512
  144    HA   GLN  22           HA       GLN  22   6.295   5.196   4.020
  145    HB2  GLN  22           HB2      GLN  22   6.804   6.280   6.190
  146    HB3  GLN  22           HB1      GLN  22   6.110   7.751   5.565
  147    HG2  GLN  22           HG2      GLN  22   4.064   6.101   5.151
  148    HG3  GLN  22           HG1      GLN  22   4.856   5.316   6.510
  149   HE21  GLN  22          HE21      GLN  22   3.215   8.181   5.448
  150   HE22  GLN  22          HE22      GLN  22   2.881   8.805   7.026
  151    H    GLN  23           HN       GLN  23   6.469   8.646   3.297
  152    HA   GLN  23           HA       GLN  23   3.910   9.069   2.360
  153    HB2  GLN  23           HB2      GLN  23   6.486  10.316   1.591
  154    HB3  GLN  23           HB1      GLN  23   4.927  10.943   1.073
  155    HG2  GLN  23           HG2      GLN  23   4.264  11.210   3.400
  156    HG3  GLN  23           HG1      GLN  23   5.819  10.604   3.917
  157   HE21  GLN  23          HE21      GLN  23   5.378  12.748   1.187
  158   HE22  GLN  23          HE22      GLN  23   6.140  14.126   1.906
  159    H    THR  24           HN       THR  24   6.710   7.885   0.570
  160    HA   THR  24           HA       THR  24   5.611   7.930  -2.003
  161    HB   THR  24           HB       THR  24   7.680   6.314  -0.601
  162    HG1  THR  24           HG1      THR  24   7.678   8.015  -2.889
  163   HG21  THR  24          HG21      THR  24   6.822   5.798  -3.455
  164   HG22  THR  24          HG22      THR  24   6.502   4.718  -2.099
  165   HG23  THR  24          HG23      THR  24   8.166   5.029  -2.606
  166    H    LEU  25           HN       LEU  25   5.373   5.466   0.545
  167    HA   LEU  25           HA       LEU  25   3.612   3.778  -1.012
  168    HB2  LEU  25           HB2      LEU  25   4.088   3.891   1.950
  169    HB3  LEU  25           HB1      LEU  25   3.300   2.589   1.089
  170    HG   LEU  25           HG       LEU  25   6.093   3.282   0.338
  171   HD11  LEU  25          HD11      LEU  25   6.985   1.937   2.127
  172   HD12  LEU  25          HD12      LEU  25   5.364   1.632   2.752
  173   HD13  LEU  25          HD13      LEU  25   6.039   3.263   2.809
  174   HD21  LEU  25          HD21      LEU  25   4.929   1.603  -0.934
  175   HD22  LEU  25          HD22      LEU  25   4.471   0.750   0.538
  176   HD23  LEU  25          HD23      LEU  25   6.161   0.819   0.051
  177    H    ALA  26           HN       ALA  26   3.374   6.163   1.534
  178    HA   ALA  26           HA       ALA  26   0.571   6.066   1.876
  179    HB1  ALA  26           HB1      ALA  26   2.189   8.521   2.436
  180    HB2  ALA  26           HB2      ALA  26   2.513   7.044   3.343
  181    HB3  ALA  26           HB3      ALA  26   0.903   7.783   3.402
  182    H    THR  27           HN       THR  27   2.091   6.746  -0.787
  183    HA   THR  27           HA       THR  27   0.094   8.657  -1.740
  184    HB   THR  27           HB       THR  27   3.014   8.345  -2.395
  185    HG1  THR  27           HG1      THR  27   2.476   9.922  -0.882
  186   HG21  THR  27          HG21      THR  27   1.845   8.230  -4.531
  187   HG22  THR  27          HG22      THR  27   2.750   9.740  -4.366
  188   HG23  THR  27          HG23      THR  27   0.997   9.733  -4.154
  189    H    LEU  28           HN       LEU  28   2.250   6.012  -2.560
  190    HA   LEU  28           HA       LEU  28   1.027   5.253  -4.956
  191    HB2  LEU  28           HB2      LEU  28   3.200   4.553  -4.813
  192    HB3  LEU  28           HB1      LEU  28   3.039   4.117  -3.129
  193    HG   LEU  28           HG       LEU  28   1.355   2.351  -4.147
  194   HD11  LEU  28          HD11      LEU  28   1.751   3.110  -6.444
  195   HD12  LEU  28          HD12      LEU  28   2.133   1.403  -6.198
  196   HD13  LEU  28          HD13      LEU  28   3.433   2.599  -6.293
  197   HD21  LEU  28          HD21      LEU  28   4.305   2.152  -3.761
  198   HD22  LEU  28          HD22      LEU  28   3.310   0.746  -4.155
  199   HD23  LEU  28          HD23      LEU  28   2.995   1.667  -2.673
  200    H    VAL  29           HN       VAL  29   0.854   4.069  -1.682
  201    HA   VAL  29           HA       VAL  29  -0.779   1.829  -2.225
  202    HB   VAL  29           HB       VAL  29  -0.223   3.380   0.301
  203   HG11  VAL  29          HG11      VAL  29  -1.359   1.667   1.563
  204   HG12  VAL  29          HG12      VAL  29  -1.747   0.783   0.086
  205   HG13  VAL  29          HG13      VAL  29  -2.482   2.358   0.390
  206   HG21  VAL  29          HG21      VAL  29   1.597   2.059  -0.742
  207   HG22  VAL  29          HG22      VAL  29   0.608   0.609  -0.550
  208   HG23  VAL  29          HG23      VAL  29   1.155   1.496   0.873
  209    H    ALA  30           HN       ALA  30  -1.336   5.154  -1.474
  210    HA   ALA  30           HA       ALA  30  -4.173   4.899  -1.233
  211    HB1  ALA  30           HB1      ALA  30  -3.062   6.641  -0.041
  212    HB2  ALA  30           HB2      ALA  30  -4.092   7.368  -1.276
  213    HB3  ALA  30           HB3      ALA  30  -2.354   7.257  -1.533
  214    H    ALA  31           HN       ALA  31  -1.854   5.736  -3.667
  215    HA   ALA  31           HA       ALA  31  -3.606   6.496  -5.729
  216    HB1  ALA  31           HB1      ALA  31  -0.829   5.331  -5.663
  217    HB2  ALA  31           HB2      ALA  31  -1.316   6.990  -6.011
  218    HB3  ALA  31           HB3      ALA  31  -1.642   5.714  -7.188
  219    H    ALA  32           HN       ALA  32  -2.260   3.456  -4.688
  220    HA   ALA  32           HA       ALA  32  -3.480   1.678  -6.426
  221    HB1  ALA  32           HB1      ALA  32  -2.658   1.505  -3.542
  222    HB2  ALA  32           HB2      ALA  32  -1.785   0.924  -4.962
  223    HB3  ALA  32           HB3      ALA  32  -3.263   0.110  -4.441
  224    H    THR  33           HN       THR  33  -4.665   2.983  -3.302
  225    HA   THR  33           HA       THR  33  -7.156   1.546  -3.564
  226    HB   THR  33           HB       THR  33  -6.595   3.846  -1.681
  227    HG1  THR  33           HG1      THR  33  -4.961   2.173  -1.527
  228   HG21  THR  33          HG21      THR  33  -8.498   1.507  -1.663
  229   HG22  THR  33          HG22      THR  33  -8.897   3.226  -1.688
  230   HG23  THR  33          HG23      THR  33  -8.181   2.508  -0.244
  231    H    ALA  34           HN       ALA  34  -5.908   4.592  -4.574
  232    HA   ALA  34           HA       ALA  34  -8.382   5.868  -5.067
  233    HB1  ALA  34           HB1      ALA  34  -7.081   7.363  -6.513
  234    HB2  ALA  34           HB2      ALA  34  -5.700   6.269  -6.396
  235    HB3  ALA  34           HB3      ALA  34  -6.286   7.107  -4.957
  236    H    THR  35           HN       THR  35  -6.536   3.427  -6.639
  237    HA   THR  35           HA       THR  35  -7.896   3.508  -9.149
  238    HB   THR  35           HB       THR  35  -5.819   1.871  -7.833
  239    HG1  THR  35           HG1      THR  35  -5.887   2.219 -10.589
  240   HG21  THR  35          HG21      THR  35  -7.444   0.691 -10.074
  241   HG22  THR  35          HG22      THR  35  -7.540   0.198  -8.382
  242   HG23  THR  35          HG23      THR  35  -6.036  -0.026  -9.286
  243    H    VAL  36           HN       VAL  36  -8.017   1.467  -6.237
  244    HA   VAL  36           HA       VAL  36  -9.815  -0.429  -7.216
  245    HB   VAL  36           HB       VAL  36 -10.266  -0.944  -4.813
  246   HG11  VAL  36          HG11      VAL  36  -8.559  -2.191  -5.756
  247   HG12  VAL  36          HG12      VAL  36  -7.859  -1.524  -4.280
  248   HG13  VAL  36          HG13      VAL  36  -7.479  -0.797  -5.844
  249   HG21  VAL  36          HG21      VAL  36  -8.770   1.545  -4.462
  250   HG22  VAL  36          HG22      VAL  36  -8.493   0.234  -3.316
  251   HG23  VAL  36          HG23      VAL  36 -10.116   0.881  -3.537
  252    H    LEU  37           HN       LEU  37 -10.383   2.737  -5.867
  253    HA   LEU  37           HA       LEU  37 -13.260   2.193  -5.731
  254    HB2  LEU  37           HB2      LEU  37 -11.848   4.654  -4.777
  255    HB3  LEU  37           HB1      LEU  37 -13.412   4.039  -4.279
  256    HG   LEU  37           HG       LEU  37 -10.817   2.632  -3.723
  257   HD11  LEU  37          HD11      LEU  37 -12.374   4.459  -1.917
  258   HD12  LEU  37          HD12      LEU  37 -10.835   4.834  -2.695
  259   HD13  LEU  37          HD13      LEU  37 -10.925   3.543  -1.501
  260   HD21  LEU  37          HD21      LEU  37 -12.164   1.448  -2.051
  261   HD22  LEU  37          HD22      LEU  37 -12.768   1.206  -3.690
  262   HD23  LEU  37          HD23      LEU  37 -13.592   2.324  -2.604
  263    H    GLY  38           HN       GLY  38 -11.154   3.233  -7.962
  264    HA2  GLY  38           HA2      GLY  38 -11.281   4.496  -9.860
  265    HA3  GLY  38           HA1      GLY  38 -13.021   4.426  -9.653
  266    H    HIS  39           HN       HIS  39 -10.532   5.998  -7.646
  267    HA   HIS  39           HA       HIS  39 -11.931   8.548  -8.125
  268    HB2  HIS  39           HB2      HIS  39 -10.412   7.532  -5.755
  269    HB3  HIS  39           HB1      HIS  39 -10.580   9.261  -6.016
  270    HD1  HIS  39           HD1      HIS  39 -12.812  10.322  -5.436
  271    HD2  HIS  39           HD2      HIS  39 -12.863   6.176  -5.182
  272    HE1  HIS  39           HE1      HIS  39 -14.950   9.740  -4.248
  273    HE2  HIS  39           HE2      HIS  39 -15.037   7.223  -4.267
  274    H    HIS  40           HN       HIS  40  -8.905   6.888  -8.279
  275    HA   HIS  40           HA       HIS  40  -6.935   7.325  -9.282
  276    HB2  HIS  40           HB2      HIS  40  -8.162   8.289 -11.152
  277    HB3  HIS  40           HB1      HIS  40  -8.267   9.834 -10.315
  278    HD1  HIS  40           HD1      HIS  40  -6.769  11.393 -11.525
  279    HD2  HIS  40           HD2      HIS  40  -5.032   7.645 -11.036
  280    HE1  HIS  40           HE1      HIS  40  -4.457  11.587 -12.490
  281    HE2  HIS  40           HE2      HIS  40  -3.365   9.370 -12.000
  282    H    THR  41           HN       THR  41  -8.333  10.027  -7.505
  283    HA   THR  41           HA       THR  41  -5.791  11.216  -6.936
  284    HB   THR  41           HB       THR  41  -7.250  12.400  -5.144
  285    HG1  THR  41           HG1      THR  41  -9.503  12.395  -6.320
  286   HG21  THR  41          HG21      THR  41  -8.073  13.980  -6.842
  287   HG22  THR  41          HG22      THR  41  -7.629  12.823  -8.099
  288   HG23  THR  41          HG23      THR  41  -6.381  13.537  -7.073
  289    HA   PRO  42           HA       PRO  42  -5.014   8.662  -3.288
  290    HB2  PRO  42           HB2      PRO  42  -2.516  10.143  -3.139
  291    HB3  PRO  42           HB1      PRO  42  -2.761   8.428  -3.466
  292    HG2  PRO  42           HG2      PRO  42  -1.860  10.176  -5.346
  293    HG3  PRO  42           HG1      PRO  42  -2.809   8.729  -5.736
  294    HD2  PRO  42           HD2      PRO  42  -3.715  11.579  -5.522
  295    HD3  PRO  42           HD1      PRO  42  -4.158  10.347  -6.720
  296    H    GLU  43           HN       GLU  43  -5.066  12.019  -3.875
  297    HA   GLU  43           HA       GLU  43  -4.817  13.028  -1.253
  298    HB2  GLU  43           HB2      GLU  43  -6.259  14.125  -3.660
  299    HB3  GLU  43           HB1      GLU  43  -5.906  15.040  -2.201
  300    HG2  GLU  43           HG2      GLU  43  -3.554  14.833  -2.600
  301    HG3  GLU  43           HG1      GLU  43  -3.866  13.758  -3.959
  302    H    SER  44           HN       SER  44  -7.461  11.819  -3.181
  303    HA   SER  44           HA       SER  44  -9.517  12.490  -1.297
  304    HB2  SER  44           HB2      SER  44  -9.880  12.342  -3.773
  305    HB3  SER  44           HB1      SER  44  -9.620  10.608  -3.646
  306    HG   SER  44           HG       SER  44 -11.750  12.154  -2.635
  307    H    ILE  45           HN       ILE  45  -7.209  10.081  -1.640
  308    HA   ILE  45           HA       ILE  45  -8.665   8.065  -0.118
  309    HB   ILE  45           HB       ILE  45  -5.839   7.978  -1.163
  310   HG12  ILE  45          HG12      ILE  45  -7.365   8.219  -3.021
  311   HG13  ILE  45          HG11      ILE  45  -6.766   6.569  -2.966
  312   HG21  ILE  45          HG21      ILE  45  -5.965   5.592  -0.834
  313   HG22  ILE  45          HG22      ILE  45  -7.634   5.725  -0.279
  314   HG23  ILE  45          HG23      ILE  45  -6.325   6.411   0.689
  315   HD11  ILE  45          HD11      ILE  45  -9.134   6.677  -3.505
  316   HD12  ILE  45          HD12      ILE  45  -9.449   7.472  -1.963
  317   HD13  ILE  45          HD13      ILE  45  -8.845   5.815  -1.994
  318    H    SER  46           HN       SER  46  -8.837   9.125   1.873
  319    HA   SER  46           HA       SER  46  -6.596  10.230   3.228
  320    HB2  SER  46           HB2      SER  46  -9.285  10.437   3.532
  321    HB3  SER  46           HB1      SER  46  -8.893   9.320   4.836
  322    HG   SER  46           HG       SER  46  -7.790  11.896   4.394
  323    HA   PRO  47           HA       PRO  47  -4.836   6.490   4.559
  324    HB2  PRO  47           HB2      PRO  47  -2.956   7.408   6.174
  325    HB3  PRO  47           HB1      PRO  47  -3.011   7.960   4.501
  326    HG2  PRO  47           HG2      PRO  47  -3.840   9.363   6.986
  327    HG3  PRO  47           HG1      PRO  47  -3.121  10.025   5.516
  328    HD2  PRO  47           HD2      PRO  47  -5.866   9.954   6.217
  329    HD3  PRO  47           HD1      PRO  47  -5.179  10.454   4.650
  330    H    ALA  48           HN       ALA  48  -6.734   8.227   6.663
  331    HA   ALA  48           HA       ALA  48  -6.328   6.281   8.796
  332    HB1  ALA  48           HB1      ALA  48  -5.332   8.576   9.121
  333    HB2  ALA  48           HB2      ALA  48  -6.367   7.960  10.419
  334    HB3  ALA  48           HB3      ALA  48  -6.994   9.151   9.278
  335    H    THR  49           HN       THR  49  -8.321   7.151   6.513
  336    HA   THR  49           HA       THR  49 -10.853   7.322   7.813
  337    HB   THR  49           HB       THR  49  -9.905   6.888   5.006
  338    HG1  THR  49           HG1      THR  49 -11.716   8.874   5.817
  339   HG21  THR  49          HG21      THR  49 -11.852   5.465   5.278
  340   HG22  THR  49          HG22      THR  49 -12.195   6.834   4.213
  341   HG23  THR  49          HG23      THR  49 -12.783   6.840   5.877
  342    H    ALA  50           HN       ALA  50  -8.952   4.855   6.282
  343    HA   ALA  50           HA       ALA  50  -8.781   2.599   6.799
  344    HB1  ALA  50           HB1      ALA  50 -10.667   1.305   7.677
  345    HB2  ALA  50           HB2      ALA  50 -11.650   2.773   7.694
  346    HB3  ALA  50           HB3      ALA  50 -10.229   2.649   8.735
  347    H    PHE  51           HN       PHE  51  -8.854   1.116   5.355
  348    HA   PHE  51           HA       PHE  51  -9.800   1.516   2.788
  349    HB2  PHE  51           HB2      PHE  51  -9.159  -1.009   4.281
  350    HB3  PHE  51           HB1      PHE  51  -9.500  -0.974   2.553
  351    HD1  PHE  51           HD1      PHE  51  -8.181   1.265   1.526
  352    HD2  PHE  51           HD2      PHE  51  -6.956  -1.310   4.664
  353    HE1  PHE  51           HE1      PHE  51  -5.844   1.830   1.064
  354    HE2  PHE  51           HE2      PHE  51  -4.609  -0.755   4.223
  355    HZ   PHE  51           HZ       PHE  51  -4.053   0.875   2.441
  356    H    LYS  52           HN       LYS  52 -11.274  -0.303   5.431
  357    HA   LYS  52           HA       LYS  52 -13.505  -1.284   4.137
  358    HB2  LYS  52           HB2      LYS  52 -13.247  -0.192   6.947
  359    HB3  LYS  52           HB1      LYS  52 -14.600  -1.162   6.376
  360    HG2  LYS  52           HG2      LYS  52 -12.866  -2.939   5.817
  361    HG3  LYS  52           HG1      LYS  52 -11.734  -1.967   6.754
  362    HD2  LYS  52           HD2      LYS  52 -14.323  -3.117   7.755
  363    HD3  LYS  52           HD1      LYS  52 -12.725  -3.768   8.098
  364    HE2  LYS  52           HE2      LYS  52 -13.700  -1.030   8.847
  365    HE3  LYS  52           HE1      LYS  52 -13.663  -2.411   9.936
  366    HZ1  LYS  52           HZ1      LYS  52 -11.305  -2.467   9.836
  367    HZ2  LYS  52           HZ2      LYS  52 -11.744  -0.864  10.154
  368    HZ3  LYS  52           HZ3      LYS  52 -11.252  -1.314   8.603
  369    H    ASP  53           HN       ASP  53 -12.906   1.820   5.655
  370    HA   ASP  53           HA       ASP  53 -15.539   2.825   5.210
  371    HB2  ASP  53           HB2      ASP  53 -12.979   3.970   6.279
  372    HB3  ASP  53           HB1      ASP  53 -14.293   5.055   5.819
  373    H    LEU  54           HN       LEU  54 -12.848   2.430   3.306
  374    HA   LEU  54           HA       LEU  54 -13.267   4.746   1.607
  375    HB2  LEU  54           HB2      LEU  54 -11.231   2.566   1.776
  376    HB3  LEU  54           HB1      LEU  54 -11.344   3.524   0.321
  377    HG   LEU  54           HG       LEU  54 -10.974   4.748   3.050
  378   HD11  LEU  54          HD11      LEU  54  -8.880   3.857   1.088
  379   HD12  LEU  54          HD12      LEU  54  -9.111   3.289   2.743
  380   HD13  LEU  54          HD13      LEU  54  -8.586   4.945   2.442
  381   HD21  LEU  54          HD21      LEU  54 -10.491   5.737   0.253
  382   HD22  LEU  54          HD22      LEU  54 -10.102   6.623   1.727
  383   HD23  LEU  54          HD23      LEU  54 -11.781   6.247   1.340
  384    H    GLY  55           HN       GLY  55 -14.073   1.389   1.758
  385    HA2  GLY  55           HA2      GLY  55 -15.943   0.768   0.276
  386    HA3  GLY  55           HA1      GLY  55 -15.056   1.548  -1.028
  387    H    ILE  56           HN       ILE  56 -12.844   0.128   0.903
  388    HA   ILE  56           HA       ILE  56 -12.244  -2.001  -0.861
  389    HB   ILE  56           HB       ILE  56 -11.303  -1.349   1.918
  390   HG12  ILE  56          HG12      ILE  56 -10.183   0.143   0.629
  391   HG13  ILE  56          HG11      ILE  56  -9.092  -1.218   0.503
  392   HG21  ILE  56          HG21      ILE  56 -11.060  -3.603   1.956
  393   HG22  ILE  56          HG22      ILE  56  -9.494  -3.065   1.328
  394   HG23  ILE  56          HG23      ILE  56 -10.715  -3.704   0.229
  395   HD11  ILE  56          HD11      ILE  56 -10.152  -1.828  -1.640
  396   HD12  ILE  56          HD12      ILE  56  -9.357  -0.255  -1.645
  397   HD13  ILE  56          HD13      ILE  56 -11.112  -0.347  -1.531
  398    H    ASP  57           HN       ASP  57 -13.841  -3.503  -1.089
  399    HA   ASP  57           HA       ASP  57 -14.326  -5.116   1.322
  400    HB2  ASP  57           HB2      ASP  57 -16.380  -3.899   0.688
  401    HB3  ASP  57           HB1      ASP  57 -16.305  -4.629  -0.912
  402    H    SER  58           HN       SER  58 -12.885  -6.689   0.969
  403    HA   SER  58           HA       SER  58 -12.005  -8.606   0.194
  404    HB2  SER  58           HB2      SER  58 -13.560 -10.193  -0.952
  405    HB3  SER  58           HB1      SER  58 -14.199  -9.504   0.537
  406    HG   SER  58           HG       SER  58 -15.456  -8.082  -0.716
  407    H    LEU  59           HN       LEU  59 -13.935  -7.965  -2.710
  408    HA   LEU  59           HA       LEU  59 -12.109  -8.786  -4.607
  409    HB2  LEU  59           HB2      LEU  59 -14.141  -6.563  -4.766
  410    HB3  LEU  59           HB1      LEU  59 -13.343  -7.264  -6.157
  411    HG   LEU  59           HG       LEU  59 -15.197  -8.716  -4.265
  412   HD11  LEU  59          HD11      LEU  59 -16.727  -8.724  -6.180
  413   HD12  LEU  59          HD12      LEU  59 -15.578  -7.735  -7.084
  414   HD13  LEU  59          HD13      LEU  59 -16.348  -7.088  -5.636
  415   HD21  LEU  59          HD21      LEU  59 -13.515 -10.215  -5.188
  416   HD22  LEU  59          HD22      LEU  59 -13.872  -9.637  -6.815
  417   HD23  LEU  59          HD23      LEU  59 -15.092 -10.534  -5.909
  418    H    THR  60           HN       THR  60 -12.644  -5.464  -3.481
  419    HA   THR  60           HA       THR  60 -10.406  -4.534  -5.055
  420    HB   THR  60           HB       THR  60 -11.038  -2.329  -3.810
  421    HG1  THR  60           HG1      THR  60 -13.525  -2.674  -3.533
  422   HG21  THR  60          HG21      THR  60 -11.344  -2.740  -6.180
  423   HG22  THR  60          HG22      THR  60 -12.784  -1.956  -5.521
  424   HG23  THR  60          HG23      THR  60 -12.796  -3.693  -5.852
  425    H    ALA  61           HN       ALA  61 -10.878  -5.727  -1.911
  426    HA   ALA  61           HA       ALA  61  -8.516  -4.540  -0.803
  427    HB1  ALA  61           HB1      ALA  61 -10.331  -5.549   0.581
  428    HB2  ALA  61           HB2      ALA  61  -8.710  -6.133   0.968
  429    HB3  ALA  61           HB3      ALA  61  -9.811  -7.139   0.016
  430    H    LEU  62           HN       LEU  62  -9.329  -7.414  -2.668
  431    HA   LEU  62           HA       LEU  62  -6.701  -8.496  -2.646
  432    HB2  LEU  62           HB2      LEU  62  -9.084  -9.522  -3.237
  433    HB3  LEU  62           HB1      LEU  62  -8.610  -9.023  -4.840
  434    HG   LEU  62           HG       LEU  62  -7.740 -11.075  -5.008
  435   HD11  LEU  62          HD11      LEU  62  -5.444 -11.311  -4.332
  436   HD12  LEU  62          HD12      LEU  62  -5.619 -10.018  -3.144
  437   HD13  LEU  62          HD13      LEU  62  -5.736  -9.654  -4.865
  438   HD21  LEU  62          HD21      LEU  62  -7.719 -11.133  -2.008
  439   HD22  LEU  62          HD22      LEU  62  -7.169 -12.469  -3.015
  440   HD23  LEU  62          HD23      LEU  62  -8.846 -11.932  -3.099
  441    H    GLU  63           HN       GLU  63  -8.590  -6.534  -5.017
  442    HA   GLU  63           HA       GLU  63  -6.542  -6.364  -6.916
  443    HB2  GLU  63           HB2      GLU  63  -8.610  -5.771  -7.738
  444    HB3  GLU  63           HB1      GLU  63  -9.096  -5.006  -6.235
  445    HG2  GLU  63           HG2      GLU  63  -8.957  -3.268  -7.738
  446    HG3  GLU  63           HG1      GLU  63  -7.474  -3.209  -6.791
  447    H    LEU  64           HN       LEU  64  -7.341  -4.454  -4.011
  448    HA   LEU  64           HA       LEU  64  -5.341  -2.524  -4.202
  449    HB2  LEU  64           HB2      LEU  64  -7.070  -3.486  -2.167
  450    HB3  LEU  64           HB1      LEU  64  -5.430  -3.616  -1.542
  451    HG   LEU  64           HG       LEU  64  -6.787  -1.105  -2.513
  452   HD11  LEU  64          HD11      LEU  64  -7.388  -1.997  -0.238
  453   HD12  LEU  64          HD12      LEU  64  -6.653  -0.391  -0.240
  454   HD13  LEU  64          HD13      LEU  64  -5.689  -1.800   0.212
  455   HD21  LEU  64          HD21      LEU  64  -4.449  -1.133  -3.188
  456   HD22  LEU  64          HD22      LEU  64  -3.974  -1.553  -1.545
  457   HD23  LEU  64          HD23      LEU  64  -4.705   0.018  -1.873
  458    H    ARG  65           HN       ARG  65  -5.350  -5.747  -2.983
  459    HA   ARG  65           HA       ARG  65  -2.727  -5.944  -2.041
  460    HB2  ARG  65           HB2      ARG  65  -4.416  -7.553  -1.388
  461    HB3  ARG  65           HB1      ARG  65  -4.608  -8.094  -3.054
  462    HG2  ARG  65           HG2      ARG  65  -1.947  -8.336  -1.696
  463    HG3  ARG  65           HG1      ARG  65  -3.220  -9.502  -1.348
  464    HD2  ARG  65           HD2      ARG  65  -3.357 -10.116  -3.676
  465    HD3  ARG  65           HD1      ARG  65  -2.211  -8.851  -4.114
  466    HE   ARG  65           HE       ARG  65  -0.896 -10.450  -2.292
  467   HH11  ARG  65          HH11      ARG  65  -2.394 -10.878  -5.434
  468   HH12  ARG  65          HH12      ARG  65  -1.326 -12.160  -5.905
  469   HH21  ARG  65          HH21      ARG  65   0.512 -12.128  -2.919
  470   HH22  ARG  65          HH22      ARG  65   0.330 -12.873  -4.475
  471    H    ASN  66           HN       ASN  66  -4.153  -6.920  -5.068
  472    HA   ASN  66           HA       ASN  66  -1.906  -7.924  -6.342
  473    HB2  ASN  66           HB2      ASN  66  -4.527  -6.808  -7.254
  474    HB3  ASN  66           HB1      ASN  66  -3.320  -7.256  -8.445
  475   HD21  ASN  66          HD21      ASN  66  -5.950  -8.417  -7.858
  476   HD22  ASN  66          HD22      ASN  66  -5.663 -10.088  -7.524
  477    H    THR  67           HN       THR  67  -3.091  -4.573  -6.169
  478    HA   THR  67           HA       THR  67  -1.066  -3.588  -7.936
  479    HB   THR  67           HB       THR  67  -2.752  -2.127  -5.915
  480    HG1  THR  67           HG1      THR  67  -4.034  -2.957  -7.563
  481   HG21  THR  67          HG21      THR  67  -2.135  -0.087  -7.131
  482   HG22  THR  67          HG22      THR  67  -1.048  -1.029  -8.150
  483   HG23  THR  67          HG23      THR  67  -0.716  -0.864  -6.424
  484    H    LEU  68           HN       LEU  68  -1.486  -3.525  -4.415
  485    HA   LEU  68           HA       LEU  68   0.774  -2.124  -3.678
  486    HB2  LEU  68           HB2      LEU  68  -0.307  -4.552  -2.254
  487    HB3  LEU  68           HB1      LEU  68   0.639  -3.266  -1.545
  488    HG   LEU  68           HG       LEU  68  -2.063  -2.768  -2.738
  489   HD11  LEU  68          HD11      LEU  68  -2.023  -4.564  -0.949
  490   HD12  LEU  68          HD12      LEU  68  -3.064  -3.178  -0.661
  491   HD13  LEU  68          HD13      LEU  68  -1.509  -3.298   0.163
  492   HD21  LEU  68          HD21      LEU  68  -2.006  -0.814  -1.298
  493   HD22  LEU  68          HD22      LEU  68  -0.589  -0.834  -2.347
  494   HD23  LEU  68          HD23      LEU  68  -0.441  -1.307  -0.655
  495    H    THR  69           HN       THR  69   0.441  -5.655  -3.833
  496    HA   THR  69           HA       THR  69   3.079  -6.190  -3.083
  497    HB   THR  69           HB       THR  69   0.951  -7.718  -3.144
  498    HG1  THR  69           HG1      THR  69   3.475  -8.851  -3.840
  499   HG21  THR  69          HG21      THR  69   0.919  -9.306  -5.007
  500   HG22  THR  69          HG22      THR  69   2.196  -8.392  -5.810
  501   HG23  THR  69          HG23      THR  69   0.611  -7.660  -5.565
  502    H    HIS  70           HN       HIS  70   1.693  -5.323  -6.131
  503    HA   HIS  70           HA       HIS  70   3.853  -6.221  -7.763
  504    HB2  HIS  70           HB2      HIS  70   1.591  -5.838  -8.682
  505    HB3  HIS  70           HB1      HIS  70   1.716  -4.135  -8.276
  506    HD1  HIS  70           HD1      HIS  70   2.810  -6.646 -10.806
  507    HD2  HIS  70           HD2      HIS  70   3.335  -2.605 -10.000
  508    HE1  HIS  70           HE1      HIS  70   3.808  -5.666 -12.893
  509    HE2  HIS  70           HE2      HIS  70   4.009  -3.199 -12.423
  510    H    ASN  71           HN       ASN  71   2.932  -3.120  -6.320
  511    HA   ASN  71           HA       ASN  71   5.113  -1.723  -7.559
  512    HB2  ASN  71           HB2      ASN  71   3.054  -0.893  -5.556
  513    HB3  ASN  71           HB1      ASN  71   4.334   0.182  -6.118
  514   HD21  ASN  71          HD21      ASN  71   1.469  -1.541  -6.973
  515   HD22  ASN  71          HD22      ASN  71   1.152  -0.689  -8.436
  516    H    THR  72           HN       THR  72   4.719  -3.487  -4.686
  517    HA   THR  72           HA       THR  72   7.064  -2.197  -3.500
  518    HB   THR  72           HB       THR  72   6.290  -3.205  -1.382
  519    HG1  THR  72           HG1      THR  72   3.853  -3.817  -2.688
  520   HG21  THR  72          HG21      THR  72   5.466  -0.931  -2.512
  521   HG22  THR  72          HG22      THR  72   4.787  -1.496  -0.984
  522   HG23  THR  72          HG23      THR  72   3.915  -1.776  -2.492
  523    H    GLY  73           HN       GLY  73   5.989  -4.966  -5.089
  524    HA2  GLY  73           HA2      GLY  73   7.471  -6.500  -6.018
  525    HA3  GLY  73           HA1      GLY  73   8.712  -5.861  -4.959
  526    H    LEU  74           HN       LEU  74   6.039  -6.477  -3.195
  527    HA   LEU  74           HA       LEU  74   7.393  -8.591  -1.845
  528    HB2  LEU  74           HB2      LEU  74   5.765  -6.546  -1.106
  529    HB3  LEU  74           HB1      LEU  74   4.662  -7.895  -1.017
  530    HG   LEU  74           HG       LEU  74   6.370  -9.067   0.417
  531   HD11  LEU  74          HD11      LEU  74   8.194  -7.522  -0.476
  532   HD12  LEU  74          HD12      LEU  74   8.219  -7.894   1.252
  533   HD13  LEU  74          HD13      LEU  74   7.595  -6.341   0.692
  534   HD21  LEU  74          HD21      LEU  74   4.395  -7.950   1.362
  535   HD22  LEU  74          HD22      LEU  74   5.305  -6.442   1.452
  536   HD23  LEU  74          HD23      LEU  74   5.795  -7.827   2.427
  537    H    ASP  75           HN       ASP  75   5.975 -10.442  -1.000
  538    HA   ASP  75           HA       ASP  75   4.482 -11.619  -3.244
  539    HB2  ASP  75           HB2      ASP  75   6.824 -12.364  -3.362
  540    HB3  ASP  75           HB1      ASP  75   6.719 -12.922  -1.703
  541    H    LEU  76           HN       LEU  76   3.147 -10.566  -1.238
  542    HA   LEU  76           HA       LEU  76   2.524 -12.779   0.599
  543    HB2  LEU  76           HB2      LEU  76   3.425 -10.459   1.424
  544    HB3  LEU  76           HB1      LEU  76   1.775  -9.932   1.154
  545    HG   LEU  76           HG       LEU  76   0.991 -11.687   2.731
  546   HD11  LEU  76          HD11      LEU  76   2.873 -13.243   2.478
  547   HD12  LEU  76          HD12      LEU  76   2.606 -12.811   4.164
  548   HD13  LEU  76          HD13      LEU  76   3.935 -12.077   3.268
  549   HD21  LEU  76          HD21      LEU  76   1.383  -9.395   3.484
  550   HD22  LEU  76          HD22      LEU  76   3.054  -9.808   3.861
  551   HD23  LEU  76          HD23      LEU  76   1.736 -10.570   4.751
  552    HA   PRO  77           HA       PRO  77  -1.454 -13.099  -1.337
  553    HB2  PRO  77           HB2      PRO  77  -2.781 -14.313   0.715
  554    HB3  PRO  77           HB1      PRO  77  -1.611 -15.153  -0.310
  555    HG2  PRO  77           HG2      PRO  77  -1.226 -13.931   2.399
  556    HG3  PRO  77           HG1      PRO  77  -0.696 -15.517   1.804
  557    HD2  PRO  77           HD2      PRO  77   0.989 -13.451   1.939
  558    HD3  PRO  77           HD1      PRO  77   1.067 -14.619   0.607
  559    HA   PRO  78           HA       PRO  78  -4.537 -10.075   0.126
  560    HB2  PRO  78           HB2      PRO  78  -6.656 -11.682   0.943
  561    HB3  PRO  78           HB1      PRO  78  -6.382 -11.094  -0.697
  562    HG2  PRO  78           HG2      PRO  78  -5.675 -13.736   0.514
  563    HG3  PRO  78           HG1      PRO  78  -6.341 -13.380  -1.093
  564    HD2  PRO  78           HD2      PRO  78  -3.770 -13.943  -0.821
  565    HD3  PRO  78           HD1      PRO  78  -4.282 -12.638  -1.910
  566    H    THR  79           HN       THR  79  -6.514 -10.355   2.119
  567    HA   THR  79           HA       THR  79  -6.849  -9.897   4.250
  568    HB   THR  79           HB       THR  79  -5.831 -11.241   6.021
  569    HG1  THR  79           HG1      THR  79  -3.952 -11.770   4.093
  570   HG21  THR  79          HG21      THR  79  -7.756 -12.109   4.835
  571   HG22  THR  79          HG22      THR  79  -6.668 -13.426   5.270
  572   HG23  THR  79          HG23      THR  79  -6.707 -12.827   3.612
  573    H    LEU  80           HN       LEU  80  -4.406  -8.742   2.680
  574    HA   LEU  80           HA       LEU  80  -2.710  -7.622   4.645
  575    HB2  LEU  80           HB2      LEU  80  -3.487  -6.433   1.975
  576    HB3  LEU  80           HB1      LEU  80  -2.083  -6.007   2.932
  577    HG   LEU  80           HG       LEU  80  -2.561  -8.640   1.538
  578   HD11  LEU  80          HD11      LEU  80  -1.983  -6.820   0.029
  579   HD12  LEU  80          HD12      LEU  80  -0.652  -7.969   0.169
  580   HD13  LEU  80          HD13      LEU  80  -0.579  -6.428   1.023
  581   HD21  LEU  80          HD21      LEU  80  -0.217  -7.721   3.198
  582   HD22  LEU  80          HD22      LEU  80  -0.295  -9.210   2.255
  583   HD23  LEU  80          HD23      LEU  80  -1.370  -8.982   3.633
  584    H    ILE  81           HN       ILE  81  -5.711  -6.605   3.162
  585    HA   ILE  81           HA       ILE  81  -5.833  -4.044   4.429
  586    HB   ILE  81           HB       ILE  81  -8.167  -5.626   3.338
  587   HG12  ILE  81          HG12      ILE  81  -6.578  -5.560   1.574
  588   HG13  ILE  81          HG11      ILE  81  -7.710  -4.262   1.262
  589   HG21  ILE  81          HG21      ILE  81  -7.772  -2.660   3.328
  590   HG22  ILE  81          HG22      ILE  81  -8.560  -3.499   4.670
  591   HG23  ILE  81          HG23      ILE  81  -9.257  -3.570   3.047
  592   HD11  ILE  81          HD11      ILE  81  -5.058  -3.915   2.612
  593   HD12  ILE  81          HD12      ILE  81  -6.174  -2.650   2.097
  594   HD13  ILE  81          HD13      ILE  81  -5.362  -3.652   0.892
  595    H    PHE  82           HN       PHE  82  -6.950  -7.231   5.197
  596    HA   PHE  82           HA       PHE  82  -8.558  -6.544   7.402
  597    HB2  PHE  82           HB2      PHE  82  -7.209  -9.125   6.604
  598    HB3  PHE  82           HB1      PHE  82  -8.364  -8.983   7.920
  599    HD1  PHE  82           HD1      PHE  82 -10.586  -9.357   7.508
  600    HD2  PHE  82           HD2      PHE  82  -8.061  -8.220   4.269
  601    HE1  PHE  82           HE1      PHE  82 -12.450  -9.679   5.943
  602    HE2  PHE  82           HE2      PHE  82  -9.927  -8.546   2.702
  603    HZ   PHE  82           HZ       PHE  82 -12.126  -9.271   3.537
  604    H    ASP  83           HN       ASP  83  -5.140  -7.369   7.061
  605    HA   ASP  83           HA       ASP  83  -4.705  -7.278   9.923
  606    HB2  ASP  83           HB2      ASP  83  -3.410  -8.787   8.368
  607    HB3  ASP  83           HB1      ASP  83  -2.623  -7.350   7.732
  608    H    HIS  84           HN       HIS  84  -4.334  -5.201   7.148
  609    HA   HIS  84           HA       HIS  84  -3.529  -2.985   8.917
  610    HB2  HIS  84           HB2      HIS  84  -2.488  -3.667   6.172
  611    HB3  HIS  84           HB1      HIS  84  -2.275  -2.086   6.890
  612    HD1  HIS  84           HD1      HIS  84  -0.481  -1.874   8.741
  613    HD2  HIS  84           HD2      HIS  84  -0.970  -5.746   7.316
  614    HE1  HIS  84           HE1      HIS  84   1.472  -3.166   9.631
  615    HE2  HIS  84           HE2      HIS  84   1.058  -5.541   8.916
  616    HA   PRO  85           HA       PRO  85  -7.413  -2.163   6.838
  617    HB2  PRO  85           HB2      PRO  85  -8.682  -0.952   8.835
  618    HB3  PRO  85           HB1      PRO  85  -8.270  -2.668   8.931
  619    HG2  PRO  85           HG2      PRO  85  -6.909  -0.322  10.193
  620    HG3  PRO  85           HG1      PRO  85  -7.245  -1.924  10.875
  621    HD2  PRO  85           HD2      PRO  85  -4.820  -1.120   9.770
  622    HD3  PRO  85           HD1      PRO  85  -5.332  -2.802  10.013
  623    H    THR  86           HN       THR  86  -5.066   0.189   7.441
  624    HA   THR  86           HA       THR  86  -6.798   2.166   6.144
  625    HB   THR  86           HB       THR  86  -5.678   3.974   7.344
  626    HG1  THR  86           HG1      THR  86  -4.588   2.560   9.364
  627   HG21  THR  86          HG21      THR  86  -6.870   1.885   9.165
  628   HG22  THR  86          HG22      THR  86  -7.735   3.166   8.317
  629   HG23  THR  86          HG23      THR  86  -6.606   3.571   9.606
  630    HA   PRO  87           HA       PRO  87  -3.588   2.604   3.063
  631    HB2  PRO  87           HB2      PRO  87  -3.767   5.539   3.432
  632    HB3  PRO  87           HB1      PRO  87  -3.888   4.579   1.960
  633    HG2  PRO  87           HG2      PRO  87  -6.065   5.641   3.090
  634    HG3  PRO  87           HG1      PRO  87  -6.105   4.047   2.316
  635    HD2  PRO  87           HD2      PRO  87  -6.073   4.745   5.218
  636    HD3  PRO  87           HD1      PRO  87  -6.894   3.411   4.384
  637    H    HIS  88           HN       HIS  88  -3.394   4.619   5.933
  638    HA   HIS  88           HA       HIS  88  -0.595   4.920   6.056
  639    HB2  HIS  88           HB2      HIS  88  -2.219   6.135   7.502
  640    HB3  HIS  88           HB1      HIS  88  -2.545   4.634   8.353
  641    HD1  HIS  88           HD1      HIS  88   0.544   6.746   7.582
  642    HD2  HIS  88           HD2      HIS  88  -1.114   4.448  10.622
  643    HE1  HIS  88           HE1      HIS  88   2.151   6.912   9.506
  644    HE2  HIS  88           HE2      HIS  88   1.042   5.654  11.384
  645    H    ALA  89           HN       ALA  89  -2.731   2.476   7.497
  646    HA   ALA  89           HA       ALA  89  -0.805   0.889   8.722
  647    HB1  ALA  89           HB1      ALA  89  -3.204   0.679   9.124
  648    HB2  ALA  89           HB2      ALA  89  -2.474  -0.875   8.706
  649    HB3  ALA  89           HB3      ALA  89  -3.413   0.012   7.502
  650    H    LEU  90           HN       LEU  90  -2.346   0.263   5.520
  651    HA   LEU  90           HA       LEU  90  -0.835  -1.908   4.763
  652    HB2  LEU  90           HB2      LEU  90  -2.617  -0.118   3.539
  653    HB3  LEU  90           HB1      LEU  90  -1.189  -0.115   2.549
  654    HG   LEU  90           HG       LEU  90  -1.356  -2.454   2.123
  655   HD11  LEU  90          HD11      LEU  90  -3.124  -3.832   3.047
  656   HD12  LEU  90          HD12      LEU  90  -3.708  -2.473   4.004
  657   HD13  LEU  90          HD13      LEU  90  -2.123  -3.170   4.334
  658   HD21  LEU  90          HD21      LEU  90  -2.718  -1.012   0.740
  659   HD22  LEU  90          HD22      LEU  90  -4.035  -1.100   1.913
  660   HD23  LEU  90          HD23      LEU  90  -3.548  -2.540   1.027
  661    H    THR  91           HN       THR  91  -0.116   1.496   4.458
  662    HA   THR  91           HA       THR  91   2.260   1.249   3.041
  663    HB   THR  91           HB       THR  91   1.166   3.351   4.896
  664    HG1  THR  91           HG1      THR  91   0.180   3.511   2.990
  665   HG21  THR  91          HG21      THR  91   3.876   3.259   3.648
  666   HG22  THR  91          HG22      THR  91   3.402   3.778   5.264
  667   HG23  THR  91          HG23      THR  91   3.054   4.802   3.871
  668    H    GLN  92           HN       GLN  92   1.628   1.512   6.519
  669    HA   GLN  92           HA       GLN  92   4.186   1.340   7.542
  670    HB2  GLN  92           HB2      GLN  92   1.645   0.116   8.618
  671    HB3  GLN  92           HB1      GLN  92   3.110   0.340   9.552
  672    HG2  GLN  92           HG2      GLN  92   2.886   2.815   9.035
  673    HG3  GLN  92           HG1      GLN  92   1.275   2.428   8.446
  674   HE21  GLN  92          HE21      GLN  92   3.333   2.561  11.251
  675   HE22  GLN  92          HE22      GLN  92   2.065   2.480  12.425
  676    H    HIS  93           HN       HIS  93   2.067  -1.182   6.380
  677    HA   HIS  93           HA       HIS  93   3.558  -3.427   7.149
  678    HB2  HIS  93           HB2      HIS  93   1.276  -3.686   6.455
  679    HB3  HIS  93           HB1      HIS  93   1.611  -2.970   4.885
  680    HD1  HIS  93           HD1      HIS  93   2.554  -6.089   6.859
  681    HD2  HIS  93           HD2      HIS  93   2.076  -4.785   2.931
  682    HE1  HIS  93           HE1      HIS  93   2.844  -8.132   5.428
  683    HE2  HIS  93           HE2      HIS  93   2.332  -7.357   3.087
  684    H    LEU  94           HN       LEU  94   3.450  -1.810   3.947
  685    HA   LEU  94           HA       LEU  94   5.475  -3.538   2.900
  686    HB2  LEU  94           HB2      LEU  94   4.323  -0.960   1.835
  687    HB3  LEU  94           HB1      LEU  94   5.334  -2.072   0.926
  688    HG   LEU  94           HG       LEU  94   2.735  -2.942   2.161
  689   HD11  LEU  94          HD11      LEU  94   1.550  -2.473   0.225
  690   HD12  LEU  94          HD12      LEU  94   3.008  -2.132  -0.707
  691   HD13  LEU  94          HD13      LEU  94   2.473  -1.004   0.553
  692   HD21  LEU  94          HD21      LEU  94   4.334  -4.027  -0.175
  693   HD22  LEU  94          HD22      LEU  94   2.868  -4.729   0.518
  694   HD23  LEU  94          HD23      LEU  94   4.352  -4.681   1.468
  695    H    HIS  95           HN       HIS  95   5.524  -0.487   4.571
  696    HA   HIS  95           HA       HIS  95   8.111   0.380   3.724
  697    HB2  HIS  95           HB2      HIS  95   6.405   1.833   4.872
  698    HB3  HIS  95           HB1      HIS  95   6.715   0.944   6.358
  699    HD1  HIS  95           HD1      HIS  95   9.045   1.328   7.502
  700    HD2  HIS  95           HD2      HIS  95   8.266   3.780   4.230
  701    HE1  HIS  95           HE1      HIS  95  10.779   3.141   7.594
  702    HE2  HIS  95           HE2      HIS  95  10.380   4.532   5.536
  703    H    THR  96           HN       THR  96   6.944  -1.431   6.585
  704    HA   THR  96           HA       THR  96   9.506  -1.958   7.606
  705    HB   THR  96           HB       THR  96   6.746  -2.558   8.220
  706    HG1  THR  96           HG1      THR  96   8.537  -2.931  10.233
  707   HG21  THR  96          HG21      THR  96   7.311  -4.853   7.723
  708   HG22  THR  96          HG22      THR  96   7.101  -4.638   9.461
  709   HG23  THR  96          HG23      THR  96   8.723  -4.763   8.776
  710    H    ARG  97           HN       ARG  97   7.375  -3.724   5.377
  711    HA   ARG  97           HA       ARG  97   8.846  -6.114   5.386
  712    HB2  ARG  97           HB2      ARG  97   6.957  -4.953   3.370
  713    HB3  ARG  97           HB1      ARG  97   7.673  -6.543   3.193
  714    HG2  ARG  97           HG2      ARG  97   6.015  -5.634   5.516
  715    HG3  ARG  97           HG1      ARG  97   5.410  -6.570   4.146
  716    HD2  ARG  97           HD2      ARG  97   7.587  -7.431   6.048
  717    HD3  ARG  97           HD1      ARG  97   5.915  -7.970   6.075
  718    HE   ARG  97           HE       ARG  97   7.460  -8.425   3.641
  719   HH11  ARG  97          HH11      ARG  97   5.993  -9.733   6.540
  720   HH12  ARG  97          HH12      ARG  97   6.098 -11.377   5.999
  721   HH21  ARG  97          HH21      ARG  97   7.581 -10.594   2.922
  722   HH22  ARG  97          HH22      ARG  97   6.977 -11.865   3.938
  723    H    LEU  98           HN       LEU  98   9.345  -3.139   3.649
  724    HA   LEU  98           HA       LEU  98  11.094  -3.836   1.698
  725    HB2  LEU  98           HB2      LEU  98  10.859  -1.539   3.476
  726    HB3  LEU  98           HB1      LEU  98  12.448  -1.741   2.797
  727    HG   LEU  98           HG       LEU  98  11.700  -0.568   1.056
  728   HD11  LEU  98          HD11      LEU  98  11.686  -2.884   0.132
  729   HD12  LEU  98          HD12      LEU  98  10.607  -1.765  -0.697
  730   HD13  LEU  98          HD13      LEU  98   9.946  -2.940   0.442
  731   HD21  LEU  98          HD21      LEU  98   9.384  -0.038   0.675
  732   HD22  LEU  98          HD22      LEU  98   9.805   0.178   2.374
  733   HD23  LEU  98          HD23      LEU  98   8.894  -1.244   1.864
  734    H    THR  99           HN       THR  99  11.978  -3.438   5.105
  735    HA   THR  99           HA       THR  99  14.580  -4.613   4.605
  736    HB   THR  99           HB       THR  99  14.741  -2.848   6.117
  737    HG1  THR  99           HG1      THR  99  15.835  -4.702   6.900
  738   HG21  THR  99          HG21      THR  99  12.411  -3.975   7.658
  739   HG22  THR  99          HG22      THR  99  12.361  -2.574   6.582
  740   HG23  THR  99          HG23      THR  99  13.319  -2.518   8.067
  741    H    GLN 100           HN       GLN 100  11.573  -5.385   6.260
  742    HA   GLN 100           HA       GLN 100  12.448  -8.014   7.032
  743    HB2  GLN 100           HB2      GLN 100   9.726  -6.737   6.989
  744    HB3  GLN 100           HB1      GLN 100  10.078  -8.307   7.684
  745    HG2  GLN 100           HG2      GLN 100  11.406  -5.760   8.559
  746    HG3  GLN 100           HG1      GLN 100   9.942  -6.403   9.309
  747   HE21  GLN 100          HE21      GLN 100  10.761  -9.166   9.025
  748   HE22  GLN 100          HE22      GLN 100  11.998  -9.433  10.201
  749    H    SER 101           HN       SER 101  13.148  -8.366   4.690
  750    HA   SER 101           HA       SER 101  10.919  -9.507   3.169
  751    HB2  SER 101           HB2      SER 101  11.973  -8.547   1.100
  752    HB3  SER 101           HB1      SER 101  11.291  -7.355   2.210
  753    HG   SER 101           HG       SER 101  13.200  -6.530   2.469
  754    H    HIS 102           HN       HIS 102  11.894 -10.662   1.159
  755    HA   HIS 102           HA       HIS 102  14.070 -12.372   2.146
  756    HB2  HIS 102           HB2      HIS 102  11.760 -12.990   0.333
  757    HB3  HIS 102           HB1      HIS 102  13.111 -14.074   0.539
  758    HD1  HIS 102           HD1      HIS 102  12.763 -15.806   2.263
  759    HD2  HIS 102           HD2      HIS 102  10.470 -12.421   2.996
  760    HE1  HIS 102           HE1      HIS 102  11.381 -16.351   4.293
  761    HE2  HIS 102           HE2      HIS 102  10.125 -14.230   4.810
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   3.034  -9.410 -11.549
    2    H2   GLY   1           HT2      GLY   1   3.190 -10.822 -10.631
    3    H3   GLY   1           HT3      GLY   1   3.830 -10.754 -12.194
    4    HA2  GLY   1           HA1      GLY   1   4.757  -9.156  -9.879
    5    HA3  GLY   1           HA2      GLY   1   5.581 -10.555 -10.553
    6    H    ALA   2           HN       ALA   2   7.207  -8.603 -10.510
    7    HA   ALA   2           HA       ALA   2   7.472  -7.748 -13.266
    8    HB1  ALA   2           HB1      ALA   2   6.136  -5.938 -12.295
    9    HB2  ALA   2           HB2      ALA   2   7.751  -5.382 -12.730
   10    HB3  ALA   2           HB3      ALA   2   7.355  -5.708 -11.043
   11    H    ALA   3           HN       ALA   3   8.927  -9.586 -11.885
   12    HA   ALA   3           HA       ALA   3  11.063 -10.253 -11.542
   13    HB1  ALA   3           HB1      ALA   3  12.944  -8.844 -12.157
   14    HB2  ALA   3           HB2      ALA   3  11.879  -7.444 -12.276
   15    HB3  ALA   3           HB3      ALA   3  11.698  -8.789 -13.403
   16    H    SER   4           HN       SER   4  10.970  -6.893 -10.383
   17    HA   SER   4           HA       SER   4  10.719  -7.524  -7.679
   18    HB2  SER   4           HB2      SER   4  13.059  -8.396  -7.967
   19    HB3  SER   4           HB1      SER   4  13.555  -6.759  -8.388
   20    HG   SER   4           HG       SER   4  13.141  -7.834  -5.949
   21    H    ALA   5           HN       ALA   5   9.211  -5.847  -8.252
   22    HA   ALA   5           HA       ALA   5  10.224  -3.181  -8.638
   23    HB1  ALA   5           HB1      ALA   5   7.469  -4.104  -7.824
   24    HB2  ALA   5           HB2      ALA   5   8.013  -3.810  -9.475
   25    HB3  ALA   5           HB3      ALA   5   7.907  -2.473  -8.331
   26    H    ALA   6           HN       ALA   6  10.333  -5.247  -6.126
   27    HA   ALA   6           HA       ALA   6   9.798  -3.557  -3.902
   28    HB1  ALA   6           HB1      ALA   6   9.877  -5.947  -3.611
   29    HB2  ALA   6           HB2      ALA   6  11.180  -5.223  -2.666
   30    HB3  ALA   6           HB3      ALA   6  11.537  -6.008  -4.210
   31    H    THR   7           HN       THR   7  12.918  -4.669  -5.279
   32    HA   THR   7           HA       THR   7  14.424  -2.646  -4.119
   33    HB   THR   7           HB       THR   7  15.415  -4.663  -5.008
   34    HG1  THR   7           HG1      THR   7  16.398  -2.364  -6.385
   35   HG21  THR   7          HG21      THR   7  14.017  -4.958  -6.993
   36   HG22  THR   7          HG22      THR   7  15.731  -4.986  -7.415
   37   HG23  THR   7          HG23      THR   7  14.768  -3.544  -7.735
   38    H    ASP   8           HN       ASP   8  12.005  -2.200  -6.408
   39    HA   ASP   8           HA       ASP   8  13.289   0.159  -7.556
   40    HB2  ASP   8           HB2      ASP   8  11.077  -1.571  -8.341
   41    HB3  ASP   8           HB1      ASP   8  10.690   0.146  -8.417
   42    H    LEU   9           HN       LEU   9  10.756  -0.990  -5.494
   43    HA   LEU   9           HA       LEU   9   9.527   1.498  -4.998
   44    HB2  LEU   9           HB2      LEU   9   8.315  -0.473  -4.448
   45    HB3  LEU   9           HB1      LEU   9   9.614  -1.079  -3.447
   46    HG   LEU   9           HG       LEU   9   9.259   0.971  -1.993
   47   HD11  LEU   9          HD11      LEU   9   7.942   2.234  -3.611
   48   HD12  LEU   9          HD12      LEU   9   7.091   2.018  -2.072
   49   HD13  LEU   9          HD13      LEU   9   6.639   1.034  -3.468
   50   HD21  LEU   9          HD21      LEU   9   8.649  -1.322  -1.394
   51   HD22  LEU   9          HD22      LEU   9   7.063  -1.071  -2.112
   52   HD23  LEU   9          HD23      LEU   9   7.554  -0.124  -0.714
   53    H    ALA  10           HN       ALA  10  11.599  -0.560  -3.083
   54    HA   ALA  10           HA       ALA  10  12.342   1.356  -1.131
   55    HB1  ALA  10           HB1      ALA  10  13.896  -1.061  -2.060
   56    HB2  ALA  10           HB2      ALA  10  12.635  -1.059  -0.825
   57    HB3  ALA  10           HB3      ALA  10  14.140  -0.183  -0.550
   58    H    ALA  11           HN       ALA  11  12.930   1.465  -4.345
   59    HA   ALA  11           HA       ALA  11  15.494   2.787  -4.202
   60    HB1  ALA  11           HB1      ALA  11  15.068   1.480  -6.162
   61    HB2  ALA  11           HB2      ALA  11  15.113   3.184  -6.621
   62    HB3  ALA  11           HB3      ALA  11  13.561   2.349  -6.461
   63    H    ARG  12           HN       ARG  12  12.012   3.595  -4.683
   64    HA   ARG  12           HA       ARG  12  12.333   6.383  -4.851
   65    HB2  ARG  12           HB2      ARG  12  10.168   4.543  -3.935
   66    HB3  ARG  12           HB1      ARG  12   9.981   6.265  -3.692
   67    HG2  ARG  12           HG2      ARG  12   8.863   5.957  -5.640
   68    HG3  ARG  12           HG1      ARG  12  10.472   6.340  -6.252
   69    HD2  ARG  12           HD2      ARG  12  10.852   4.216  -6.966
   70    HD3  ARG  12           HD1      ARG  12   9.857   3.510  -5.693
   71    HE   ARG  12           HE       ARG  12   8.294   4.988  -7.569
   72   HH11  ARG  12          HH11      ARG  12   9.934   1.939  -7.123
   73   HH12  ARG  12          HH12      ARG  12   8.840   1.049  -8.135
   74   HH21  ARG  12          HH21      ARG  12   6.854   3.824  -8.928
   75   HH22  ARG  12          HH22      ARG  12   7.100   2.124  -9.171
   76    H    LEU  13           HN       LEU  13  12.345   4.103  -2.277
   77    HA   LEU  13           HA       LEU  13  11.994   6.024  -0.160
   78    HB2  LEU  13           HB2      LEU  13  12.443   3.078  -0.311
   79    HB3  LEU  13           HB1      LEU  13  12.556   3.907   1.222
   80    HG   LEU  13           HG       LEU  13  10.248   4.493   1.179
   81   HD11  LEU  13          HD11      LEU  13   9.784   5.186  -0.964
   82   HD12  LEU  13          HD12      LEU  13   8.817   3.719  -0.772
   83   HD13  LEU  13          HD13      LEU  13  10.338   3.668  -1.678
   84   HD21  LEU  13          HD21      LEU  13  10.722   2.219   1.865
   85   HD22  LEU  13          HD22      LEU  13  10.553   1.675   0.196
   86   HD23  LEU  13          HD23      LEU  13   9.159   2.326   1.058
   87    H    ASN  14           HN       ASN  14  14.530   4.164  -1.601
   88    HA   ASN  14           HA       ASN  14  16.638   4.529   0.098
   89    HB2  ASN  14           HB2      ASN  14  16.153   3.682  -2.535
   90    HB3  ASN  14           HB1      ASN  14  17.476   4.846  -2.631
   91   HD21  ASN  14          HD21      ASN  14  17.220   1.850  -2.900
   92   HD22  ASN  14          HD22      ASN  14  18.488   1.235  -1.899
   93    H    GLY  15           HN       GLY  15  17.750   6.193   0.803
   94    HA2  GLY  15           HA2      GLY  15  18.886   8.238   0.657
   95    HA3  GLY  15           HA1      GLY  15  17.983   8.616  -0.802
   96    H    LEU  16           HN       LEU  16  15.603   7.601   1.040
   97    HA   LEU  16           HA       LEU  16  15.017  10.327   1.936
   98    HB2  LEU  16           HB2      LEU  16  13.315   8.032   1.078
   99    HB3  LEU  16           HB1      LEU  16  12.635   9.259   2.115
  100    HG   LEU  16           HG       LEU  16  12.054   9.767  -0.143
  101   HD11  LEU  16          HD11      LEU  16  14.302  11.591   0.631
  102   HD12  LEU  16          HD12      LEU  16  12.728  11.573   1.437
  103   HD13  LEU  16          HD13      LEU  16  12.845  11.993  -0.280
  104   HD21  LEU  16          HD21      LEU  16  13.724  10.176  -1.877
  105   HD22  LEU  16          HD22      LEU  16  13.809   8.514  -1.290
  106   HD23  LEU  16          HD23      LEU  16  15.005   9.697  -0.762
  107    H    SER  17           HN       SER  17  13.678  10.569   3.849
  108    HA   SER  17           HA       SER  17  14.670   9.028   6.084
  109    HB2  SER  17           HB2      SER  17  13.408  10.682   7.412
  110    HB3  SER  17           HB1      SER  17  14.408  11.483   6.205
  111    HG   SER  17           HG       SER  17  11.928  11.928   6.553
  112    HA   PRO  18           HA       PRO  18  11.610   5.997   6.669
  113    HB2  PRO  18           HB2      PRO  18  10.870   7.389   9.218
  114    HB3  PRO  18           HB1      PRO  18  11.184   5.670   8.926
  115    HG2  PRO  18           HG2      PRO  18  13.065   7.137  10.047
  116    HG3  PRO  18           HG1      PRO  18  13.501   6.002   8.755
  117    HD2  PRO  18           HD2      PRO  18  13.224   8.966   8.637
  118    HD3  PRO  18           HD1      PRO  18  14.403   7.906   7.840
  119    H    GLN  19           HN       GLN  19  10.415   9.183   7.656
  120    HA   GLN  19           HA       GLN  19   7.663   8.580   7.080
  121    HB2  GLN  19           HB2      GLN  19   8.418  10.285   8.741
  122    HB3  GLN  19           HB1      GLN  19   8.930  11.292   7.392
  123    HG2  GLN  19           HG2      GLN  19   6.615  11.174   6.525
  124    HG3  GLN  19           HG1      GLN  19   6.148  10.368   8.016
  125   HE21  GLN  19          HE21      GLN  19   8.535  12.919   7.889
  126   HE22  GLN  19          HE22      GLN  19   7.591  14.103   8.724
  127    H    GLN  20           HN       GLN  20  10.310   9.948   5.220
  128    HA   GLN  20           HA       GLN  20   8.612  10.907   3.101
  129    HB2  GLN  20           HB2      GLN  20  11.589  10.455   3.309
  130    HB3  GLN  20           HB1      GLN  20  10.809  11.011   1.825
  131    HG2  GLN  20           HG2      GLN  20   9.881  12.935   3.126
  132    HG3  GLN  20           HG1      GLN  20  10.869  12.402   4.475
  133   HE21  GLN  20          HE21      GLN  20  13.065  12.676   4.430
  134   HE22  GLN  20          HE22      GLN  20  13.850  13.697   3.269
  135    H    GLN  21           HN       GLN  21  10.783   8.171   3.614
  136    HA   GLN  21           HA       GLN  21  10.240   6.626   1.393
  137    HB2  GLN  21           HB2      GLN  21  10.619   5.776   4.279
  138    HB3  GLN  21           HB1      GLN  21  10.732   4.689   2.907
  139    HG2  GLN  21           HG2      GLN  21  12.661   5.829   2.087
  140    HG3  GLN  21           HG1      GLN  21  12.503   7.089   3.313
  141   HE21  GLN  21          HE21      GLN  21  13.462   3.817   2.661
  142   HE22  GLN  21          HE22      GLN  21  14.245   3.528   4.172
  143    H    GLN  22           HN       GLN  22   8.373   7.205   4.265
  144    HA   GLN  22           HA       GLN  22   6.389   5.238   3.902
  145    HB2  GLN  22           HB2      GLN  22   7.086   6.978   5.848
  146    HB3  GLN  22           HB1      GLN  22   5.702   7.763   5.172
  147    HG2  GLN  22           HG2      GLN  22   4.353   5.908   5.578
  148    HG3  GLN  22           HG1      GLN  22   5.699   4.959   6.169
  149   HE21  GLN  22          HE21      GLN  22   5.177   8.345   6.869
  150   HE22  GLN  22          HE22      GLN  22   4.830   8.147   8.549
  151    H    GLN  23           HN       GLN  23   6.424   8.712   3.386
  152    HA   GLN  23           HA       GLN  23   4.090   9.299   2.212
  153    HB2  GLN  23           HB2      GLN  23   6.797  10.190   1.397
  154    HB3  GLN  23           HB1      GLN  23   5.324  10.950   0.815
  155    HG2  GLN  23           HG2      GLN  23   4.713  11.629   2.996
  156    HG3  GLN  23           HG1      GLN  23   5.971  10.651   3.722
  157   HE21  GLN  23          HE21      GLN  23   6.536  12.561   0.856
  158   HE22  GLN  23          HE22      GLN  23   7.547  13.743   1.614
  159    H    THR  24           HN       THR  24   6.805   7.867   0.417
  160    HA   THR  24           HA       THR  24   5.676   7.887  -2.136
  161    HB   THR  24           HB       THR  24   7.652   6.142  -0.716
  162    HG1  THR  24           HG1      THR  24   7.700   8.394  -2.225
  163   HG21  THR  24          HG21      THR  24   8.153   4.957  -2.756
  164   HG22  THR  24          HG22      THR  24   6.918   5.863  -3.633
  165   HG23  THR  24          HG23      THR  24   6.445   4.725  -2.370
  166    H    LEU  25           HN       LEU  25   5.458   5.396   0.403
  167    HA   LEU  25           HA       LEU  25   3.640   3.744  -1.113
  168    HB2  LEU  25           HB2      LEU  25   4.210   3.846   1.831
  169    HB3  LEU  25           HB1      LEU  25   3.330   2.574   1.019
  170    HG   LEU  25           HG       LEU  25   6.093   3.105   0.090
  171   HD11  LEU  25          HD11      LEU  25   7.060   1.844   1.911
  172   HD12  LEU  25          HD12      LEU  25   5.473   1.665   2.664
  173   HD13  LEU  25          HD13      LEU  25   6.220   3.261   2.552
  174   HD21  LEU  25          HD21      LEU  25   6.052   0.619  -0.001
  175   HD22  LEU  25          HD22      LEU  25   4.800   1.383  -0.975
  176   HD23  LEU  25          HD23      LEU  25   4.392   0.665   0.582
  177    H    ALA  26           HN       ALA  26   3.504   6.171   1.377
  178    HA   ALA  26           HA       ALA  26   0.705   6.032   1.844
  179    HB1  ALA  26           HB1      ALA  26   2.371   6.851   3.472
  180    HB2  ALA  26           HB2      ALA  26   1.095   8.040   3.180
  181    HB3  ALA  26           HB3      ALA  26   2.685   8.240   2.434
  182    H    THR  27           HN       THR  27   2.108   6.709  -0.858
  183    HA   THR  27           HA       THR  27   0.063   8.614  -1.715
  184    HB   THR  27           HB       THR  27   2.978   8.433  -2.402
  185    HG1  THR  27           HG1      THR  27   1.457  10.150  -1.121
  186   HG21  THR  27          HG21      THR  27   2.683   9.698  -4.435
  187   HG22  THR  27          HG22      THR  27   0.929   9.667  -4.235
  188   HG23  THR  27          HG23      THR  27   1.811   8.166  -4.544
  189    H    LEU  28           HN       LEU  28   2.233   5.994  -2.617
  190    HA   LEU  28           HA       LEU  28   0.957   5.214  -4.972
  191    HB2  LEU  28           HB2      LEU  28   3.143   4.537  -4.852
  192    HB3  LEU  28           HB1      LEU  28   3.005   4.108  -3.164
  193    HG   LEU  28           HG       LEU  28   1.334   2.312  -4.176
  194   HD11  LEU  28          HD11      LEU  28   2.244   1.351  -6.211
  195   HD12  LEU  28          HD12      LEU  28   3.398   2.683  -6.320
  196   HD13  LEU  28          HD13      LEU  28   1.669   3.001  -6.469
  197   HD21  LEU  28          HD21      LEU  28   3.346   0.750  -4.179
  198   HD22  LEU  28          HD22      LEU  28   2.960   1.634  -2.695
  199   HD23  LEU  28          HD23      LEU  28   4.281   2.184  -3.735
  200    H    VAL  29           HN       VAL  29   0.865   4.011  -1.697
  201    HA   VAL  29           HA       VAL  29  -0.797   1.789  -2.196
  202    HB   VAL  29           HB       VAL  29  -0.202   3.358   0.309
  203   HG11  VAL  29          HG11      VAL  29  -1.734   0.760   0.137
  204   HG12  VAL  29          HG12      VAL  29  -2.461   2.337   0.441
  205   HG13  VAL  29          HG13      VAL  29  -1.320   1.652   1.602
  206   HG21  VAL  29          HG21      VAL  29   1.605   2.033  -0.736
  207   HG22  VAL  29          HG22      VAL  29   0.618   0.583  -0.540
  208   HG23  VAL  29          HG23      VAL  29   1.174   1.469   0.880
  209    H    ALA  30           HN       ALA  30  -1.334   5.112  -1.441
  210    HA   ALA  30           HA       ALA  30  -4.167   4.888  -1.173
  211    HB1  ALA  30           HB1      ALA  30  -2.971   6.631  -0.042
  212    HB2  ALA  30           HB2      ALA  30  -4.080   7.335  -1.219
  213    HB3  ALA  30           HB3      ALA  30  -2.359   7.237  -1.579
  214    H    ALA  31           HN       ALA  31  -1.878   5.651  -3.658
  215    HA   ALA  31           HA       ALA  31  -3.652   6.429  -5.696
  216    HB1  ALA  31           HB1      ALA  31  -1.760   5.707  -7.199
  217    HB2  ALA  31           HB2      ALA  31  -0.930   5.114  -5.749
  218    HB3  ALA  31           HB3      ALA  31  -1.296   6.828  -5.917
  219    H    ALA  32           HN       ALA  32  -2.303   3.373  -4.685
  220    HA   ALA  32           HA       ALA  32  -3.591   1.589  -6.346
  221    HB1  ALA  32           HB1      ALA  32  -1.898   0.834  -4.888
  222    HB2  ALA  32           HB2      ALA  32  -3.384   0.053  -4.334
  223    HB3  ALA  32           HB3      ALA  32  -2.740   1.457  -3.470
  224    H    THR  33           HN       THR  33  -4.732   2.913  -3.204
  225    HA   THR  33           HA       THR  33  -7.255   1.540  -3.474
  226    HB   THR  33           HB       THR  33  -6.685   3.823  -1.580
  227    HG1  THR  33           HG1      THR  33  -5.043   2.186  -1.398
  228   HG21  THR  33          HG21      THR  33  -8.620   1.514  -1.642
  229   HG22  THR  33          HG22      THR  33  -8.973   3.243  -1.532
  230   HG23  THR  33          HG23      THR  33  -8.259   2.401  -0.158
  231    H    ALA  34           HN       ALA  34  -5.971   4.592  -4.457
  232    HA   ALA  34           HA       ALA  34  -8.426   5.897  -4.956
  233    HB1  ALA  34           HB1      ALA  34  -5.754   6.238  -6.327
  234    HB2  ALA  34           HB2      ALA  34  -6.306   7.105  -4.892
  235    HB3  ALA  34           HB3      ALA  34  -7.119   7.352  -6.440
  236    H    THR  35           HN       THR  35  -6.494   3.554  -6.630
  237    HA   THR  35           HA       THR  35  -7.886   3.576  -9.097
  238    HB   THR  35           HB       THR  35  -5.799   1.962  -7.771
  239    HG1  THR  35           HG1      THR  35  -5.774   3.691  -9.606
  240   HG21  THR  35          HG21      THR  35  -7.381   0.782 -10.043
  241   HG22  THR  35          HG22      THR  35  -7.485   0.269  -8.357
  242   HG23  THR  35          HG23      THR  35  -5.968   0.079  -9.248
  243    H    VAL  36           HN       VAL  36  -7.964   1.448  -6.231
  244    HA   VAL  36           HA       VAL  36  -9.713  -0.464  -7.212
  245    HB   VAL  36           HB       VAL  36 -10.232  -0.995  -4.847
  246   HG11  VAL  36          HG11      VAL  36  -7.402  -0.668  -5.701
  247   HG12  VAL  36          HG12      VAL  36  -8.390  -2.135  -5.629
  248   HG13  VAL  36          HG13      VAL  36  -7.823  -1.379  -4.143
  249   HG21  VAL  36          HG21      VAL  36  -8.879   1.574  -4.384
  250   HG22  VAL  36          HG22      VAL  36  -8.724   0.281  -3.197
  251   HG23  VAL  36          HG23      VAL  36 -10.319   0.896  -3.626
  252    H    LEU  37           HN       LEU  37 -10.418   2.650  -5.774
  253    HA   LEU  37           HA       LEU  37 -13.272   2.053  -5.749
  254    HB2  LEU  37           HB2      LEU  37 -11.959   4.629  -4.950
  255    HB3  LEU  37           HB1      LEU  37 -13.523   4.014  -4.456
  256    HG   LEU  37           HG       LEU  37 -10.909   2.728  -3.704
  257   HD11  LEU  37          HD11      LEU  37 -11.014   4.965  -2.803
  258   HD12  LEU  37          HD12      LEU  37 -11.196   3.762  -1.528
  259   HD13  LEU  37          HD13      LEU  37 -12.607   4.637  -2.123
  260   HD21  LEU  37          HD21      LEU  37 -13.710   2.379  -2.651
  261   HD22  LEU  37          HD22      LEU  37 -12.267   1.571  -2.030
  262   HD23  LEU  37          HD23      LEU  37 -12.832   1.237  -3.667
  263    H    GLY  38           HN       GLY  38 -10.985   4.279  -7.285
  264    HA2  GLY  38           HA2      GLY  38 -11.330   4.626  -9.694
  265    HA3  GLY  38           HA1      GLY  38 -13.045   4.771  -9.343
  266    H    HIS  39           HN       HIS  39 -10.733   6.182  -7.204
  267    HA   HIS  39           HA       HIS  39 -11.812   8.817  -7.779
  268    HB2  HIS  39           HB2      HIS  39  -9.949   7.819  -5.633
  269    HB3  HIS  39           HB1      HIS  39 -10.382   9.510  -5.812
  270    HD1  HIS  39           HD1      HIS  39 -11.727   9.840  -3.709
  271    HD2  HIS  39           HD2      HIS  39 -12.973   6.537  -5.915
  272    HE1  HIS  39           HE1      HIS  39 -13.816   9.010  -2.576
  273    HE2  HIS  39           HE2      HIS  39 -14.636   7.116  -4.026
  274    H    HIS  40           HN       HIS  40  -8.936   6.960  -8.220
  275    HA   HIS  40           HA       HIS  40  -6.974   7.283  -9.281
  276    HB2  HIS  40           HB2      HIS  40  -8.257   8.273 -11.111
  277    HB3  HIS  40           HB1      HIS  40  -8.221   9.839 -10.308
  278    HD1  HIS  40           HD1      HIS  40  -6.740  11.251 -11.726
  279    HD2  HIS  40           HD2      HIS  40  -5.137   7.467 -11.073
  280    HE1  HIS  40           HE1      HIS  40  -4.467  11.278 -12.805
  281    HE2  HIS  40           HE2      HIS  40  -3.508   8.987 -12.389
  282    H    THR  41           HN       THR  41  -8.182  10.069  -7.510
  283    HA   THR  41           HA       THR  41  -5.552  11.124  -7.041
  284    HB   THR  41           HB       THR  41  -6.945  12.467  -5.284
  285    HG1  THR  41           HG1      THR  41  -9.050  12.104  -7.080
  286   HG21  THR  41          HG21      THR  41  -5.913  13.469  -7.216
  287   HG22  THR  41          HG22      THR  41  -7.562  14.069  -7.035
  288   HG23  THR  41          HG23      THR  41  -7.198  12.851  -8.257
  289    HA   PRO  42           HA       PRO  42  -4.914   8.674  -3.314
  290    HB2  PRO  42           HB2      PRO  42  -2.338  10.021  -3.218
  291    HB3  PRO  42           HB1      PRO  42  -2.682   8.313  -3.483
  292    HG2  PRO  42           HG2      PRO  42  -1.696   9.934  -5.426
  293    HG3  PRO  42           HG1      PRO  42  -2.730   8.532  -5.759
  294    HD2  PRO  42           HD2      PRO  42  -3.463  11.438  -5.647
  295    HD3  PRO  42           HD1      PRO  42  -3.988  10.188  -6.793
  296    H    GLU  43           HN       GLU  43  -4.735  12.047  -3.949
  297    HA   GLU  43           HA       GLU  43  -4.476  13.046  -1.323
  298    HB2  GLU  43           HB2      GLU  43  -5.890  14.225  -3.710
  299    HB3  GLU  43           HB1      GLU  43  -5.457  15.109  -2.253
  300    HG2  GLU  43           HG2      GLU  43  -3.137  14.839  -2.718
  301    HG3  GLU  43           HG1      GLU  43  -3.505  13.731  -4.038
  302    H    SER  44           HN       SER  44  -7.132  12.015  -3.314
  303    HA   SER  44           HA       SER  44  -9.241  12.740  -1.565
  304    HB2  SER  44           HB2      SER  44  -9.519  12.401  -4.010
  305    HB3  SER  44           HB1      SER  44  -9.178  10.693  -3.774
  306    HG   SER  44           HG       SER  44 -11.423  12.173  -2.907
  307    H    ILE  45           HN       ILE  45  -7.081  10.085  -1.848
  308    HA   ILE  45           HA       ILE  45  -8.607   8.297  -0.159
  309    HB   ILE  45           HB       ILE  45  -5.797   8.033  -1.220
  310   HG12  ILE  45          HG12      ILE  45  -7.381   8.228  -3.045
  311   HG13  ILE  45          HG11      ILE  45  -6.797   6.576  -2.930
  312   HG21  ILE  45          HG21      ILE  45  -6.324   6.596   0.741
  313   HG22  ILE  45          HG22      ILE  45  -5.952   5.695  -0.730
  314   HG23  ILE  45          HG23      ILE  45  -7.629   5.868  -0.204
  315   HD11  ILE  45          HD11      ILE  45  -8.854   5.881  -1.886
  316   HD12  ILE  45          HD12      ILE  45  -9.185   6.704  -3.410
  317   HD13  ILE  45          HD13      ILE  45  -9.441   7.545  -1.882
  318    H    SER  46           HN       SER  46  -8.727   9.163   1.879
  319    HA   SER  46           HA       SER  46  -6.472  10.299   3.218
  320    HB2  SER  46           HB2      SER  46  -9.000  10.708   3.658
  321    HB3  SER  46           HB1      SER  46  -8.904   9.226   4.600
  322    HG   SER  46           HG       SER  46  -7.433  11.611   5.008
  323    HA   PRO  47           HA       PRO  47  -4.686   6.494   4.467
  324    HB2  PRO  47           HB2      PRO  47  -2.815   7.382   6.113
  325    HB3  PRO  47           HB1      PRO  47  -2.841   7.958   4.447
  326    HG2  PRO  47           HG2      PRO  47  -3.727   9.328   6.936
  327    HG3  PRO  47           HG1      PRO  47  -2.935  10.005   5.508
  328    HD2  PRO  47           HD2      PRO  47  -5.707  10.002   6.076
  329    HD3  PRO  47           HD1      PRO  47  -4.943  10.449   4.529
  330    H    ALA  48           HN       ALA  48  -6.694   8.182   6.428
  331    HA   ALA  48           HA       ALA  48  -6.308   6.370   8.677
  332    HB1  ALA  48           HB1      ALA  48  -6.893   9.297   8.891
  333    HB2  ALA  48           HB2      ALA  48  -5.285   8.586   9.021
  334    HB3  ALA  48           HB3      ALA  48  -6.529   8.182  10.212
  335    H    THR  49           HN       THR  49  -8.296   7.089   6.315
  336    HA   THR  49           HA       THR  49 -10.817   7.348   7.622
  337    HB   THR  49           HB       THR  49  -9.936   6.696   4.826
  338    HG1  THR  49           HG1      THR  49 -11.422   8.861   5.941
  339   HG21  THR  49          HG21      THR  49 -12.266   6.685   4.122
  340   HG22  THR  49          HG22      THR  49 -12.777   6.807   5.808
  341   HG23  THR  49          HG23      THR  49 -11.914   5.371   5.250
  342    H    ALA  50           HN       ALA  50  -8.973   4.768   6.182
  343    HA   ALA  50           HA       ALA  50  -8.827   2.537   6.801
  344    HB1  ALA  50           HB1      ALA  50 -10.220   2.671   8.768
  345    HB2  ALA  50           HB2      ALA  50 -10.729   1.311   7.762
  346    HB3  ALA  50           HB3      ALA  50 -11.667   2.807   7.765
  347    H    PHE  51           HN       PHE  51  -8.917   1.037   5.400
  348    HA   PHE  51           HA       PHE  51  -9.900   1.347   2.844
  349    HB2  PHE  51           HB2      PHE  51  -9.254  -1.140   4.406
  350    HB3  PHE  51           HB1      PHE  51  -9.598  -1.156   2.674
  351    HD1  PHE  51           HD1      PHE  51  -8.301   1.130   1.638
  352    HD2  PHE  51           HD2      PHE  51  -7.038  -1.463   4.743
  353    HE1  PHE  51           HE1      PHE  51  -5.969   1.740   1.175
  354    HE2  PHE  51           HE2      PHE  51  -4.701  -0.868   4.299
  355    HZ   PHE  51           HZ       PHE  51  -4.160   0.738   2.507
  356    H    LYS  52           HN       LYS  52 -11.357  -0.502   5.489
  357    HA   LYS  52           HA       LYS  52 -13.637  -1.401   4.256
  358    HB2  LYS  52           HB2      LYS  52 -13.255  -0.319   7.055
  359    HB3  LYS  52           HB1      LYS  52 -14.691  -1.199   6.531
  360    HG2  LYS  52           HG2      LYS  52 -13.117  -3.077   5.896
  361    HG3  LYS  52           HG1      LYS  52 -11.873  -2.185   6.763
  362    HD2  LYS  52           HD2      LYS  52 -14.479  -2.992   7.993
  363    HD3  LYS  52           HD1      LYS  52 -13.048  -4.013   8.059
  364    HE2  LYS  52           HE2      LYS  52 -13.237  -1.202   9.098
  365    HE3  LYS  52           HE1      LYS  52 -13.390  -2.646  10.090
  366    HZ1  LYS  52           HZ1      LYS  52 -11.150  -1.703  10.173
  367    HZ2  LYS  52           HZ2      LYS  52 -10.984  -1.928   8.504
  368    HZ3  LYS  52           HZ3      LYS  52 -11.145  -3.263   9.521
  369    H    ASP  53           HN       ASP  53 -12.933   1.701   5.686
  370    HA   ASP  53           HA       ASP  53 -15.575   2.743   5.273
  371    HB2  ASP  53           HB2      ASP  53 -13.003   3.994   6.261
  372    HB3  ASP  53           HB1      ASP  53 -14.526   4.880   6.123
  373    H    LEU  54           HN       LEU  54 -12.928   2.307   3.348
  374    HA   LEU  54           HA       LEU  54 -13.255   4.698   1.723
  375    HB2  LEU  54           HB2      LEU  54 -11.270   2.478   1.876
  376    HB3  LEU  54           HB1      LEU  54 -11.376   3.402   0.398
  377    HG   LEU  54           HG       LEU  54 -10.971   4.710   3.083
  378   HD11  LEU  54          HD11      LEU  54  -9.150   3.160   2.824
  379   HD12  LEU  54          HD12      LEU  54  -8.575   4.800   2.511
  380   HD13  LEU  54          HD13      LEU  54  -8.882   3.702   1.168
  381   HD21  LEU  54          HD21      LEU  54 -10.448   5.553   0.247
  382   HD22  LEU  54          HD22      LEU  54 -10.020   6.489   1.679
  383   HD23  LEU  54          HD23      LEU  54 -11.715   6.162   1.311
  384    H    GLY  55           HN       GLY  55 -14.089   1.334   1.747
  385    HA2  GLY  55           HA2      GLY  55 -15.996   0.826   0.219
  386    HA3  GLY  55           HA1      GLY  55 -15.039   1.588  -1.043
  387    H    ILE  56           HN       ILE  56 -12.883   0.092   0.861
  388    HA   ILE  56           HA       ILE  56 -12.303  -2.029  -0.890
  389    HB   ILE  56           HB       ILE  56 -11.484  -1.474   1.952
  390   HG12  ILE  56          HG12      ILE  56 -10.206  -0.041   0.761
  391   HG13  ILE  56          HG11      ILE  56  -9.199  -1.464   0.639
  392   HG21  ILE  56          HG21      ILE  56 -10.944  -3.866   0.310
  393   HG22  ILE  56          HG22      ILE  56 -11.320  -3.724   2.031
  394   HG23  ILE  56          HG23      ILE  56  -9.722  -3.269   1.429
  395   HD11  ILE  56          HD11      ILE  56  -9.300  -0.454  -1.493
  396   HD12  ILE  56          HD12      ILE  56 -11.059  -0.379  -1.444
  397   HD13  ILE  56          HD13      ILE  56 -10.241  -1.944  -1.563
  398    H    ASP  57           HN       ASP  57 -13.113  -4.042  -1.039
  399    HA   ASP  57           HA       ASP  57 -14.369  -5.340   1.197
  400    HB2  ASP  57           HB2      ASP  57 -16.198  -3.866   0.367
  401    HB3  ASP  57           HB1      ASP  57 -16.108  -4.687  -1.189
  402    H    SER  58           HN       SER  58 -12.661  -6.769   0.706
  403    HA   SER  58           HA       SER  58 -11.850  -8.734  -0.035
  404    HB2  SER  58           HB2      SER  58 -14.436  -9.056  -1.485
  405    HB3  SER  58           HB1      SER  58 -13.294 -10.334  -1.116
  406    HG   SER  58           HG       SER  58 -14.234  -8.788   1.010
  407    H    LEU  59           HN       LEU  59 -13.741  -7.769  -2.881
  408    HA   LEU  59           HA       LEU  59 -11.855  -8.660  -4.753
  409    HB2  LEU  59           HB2      LEU  59 -13.981  -6.541  -4.976
  410    HB3  LEU  59           HB1      LEU  59 -13.023  -7.090  -6.324
  411    HG   LEU  59           HG       LEU  59 -13.978  -9.341  -6.114
  412   HD11  LEU  59          HD11      LEU  59 -15.699  -8.153  -3.947
  413   HD12  LEU  59          HD12      LEU  59 -14.411  -9.336  -3.710
  414   HD13  LEU  59          HD13      LEU  59 -15.851  -9.771  -4.634
  415   HD21  LEU  59          HD21      LEU  59 -16.281  -8.724  -6.795
  416   HD22  LEU  59          HD22      LEU  59 -15.025  -7.784  -7.604
  417   HD23  LEU  59          HD23      LEU  59 -15.940  -7.071  -6.275
  418    H    THR  60           HN       THR  60 -12.550  -5.401  -3.565
  419    HA   THR  60           HA       THR  60 -10.370  -4.300  -5.084
  420    HB   THR  60           HB       THR  60 -10.937  -2.228  -3.612
  421    HG1  THR  60           HG1      THR  60 -13.518  -3.176  -3.462
  422   HG21  THR  60          HG21      THR  60 -11.351  -2.512  -6.025
  423   HG22  THR  60          HG22      THR  60 -12.639  -1.606  -5.221
  424   HG23  THR  60          HG23      THR  60 -12.890  -3.300  -5.650
  425    H    ALA  61           HN       ALA  61 -10.798  -5.730  -2.039
  426    HA   ALA  61           HA       ALA  61  -8.481  -4.541  -0.815
  427    HB1  ALA  61           HB1      ALA  61 -10.345  -5.617   0.471
  428    HB2  ALA  61           HB2      ALA  61  -8.720  -6.140   0.926
  429    HB3  ALA  61           HB3      ALA  61  -9.736  -7.181  -0.080
  430    H    LEU  62           HN       LEU  62  -9.196  -7.413  -2.724
  431    HA   LEU  62           HA       LEU  62  -6.524  -8.403  -2.648
  432    HB2  LEU  62           HB2      LEU  62  -8.870  -9.528  -3.269
  433    HB3  LEU  62           HB1      LEU  62  -8.354  -9.047  -4.863
  434    HG   LEU  62           HG       LEU  62  -7.402 -11.066  -4.955
  435   HD11  LEU  62          HD11      LEU  62  -5.126 -11.189  -4.219
  436   HD12  LEU  62          HD12      LEU  62  -5.392  -9.918  -3.026
  437   HD13  LEU  62          HD13      LEU  62  -5.466  -9.539  -4.748
  438   HD21  LEU  62          HD21      LEU  62  -6.839 -12.385  -2.894
  439   HD22  LEU  62          HD22      LEU  62  -8.536 -11.950  -3.080
  440   HD23  LEU  62          HD23      LEU  62  -7.518 -11.056  -1.954
  441    H    GLU  63           HN       GLU  63  -8.479  -6.465  -4.978
  442    HA   GLU  63           HA       GLU  63  -6.476  -6.238  -6.915
  443    HB2  GLU  63           HB2      GLU  63  -8.597  -5.691  -7.657
  444    HB3  GLU  63           HB1      GLU  63  -9.028  -4.899  -6.153
  445    HG2  GLU  63           HG2      GLU  63  -8.947  -3.192  -7.685
  446    HG3  GLU  63           HG1      GLU  63  -7.423  -3.116  -6.806
  447    H    LEU  64           HN       LEU  64  -7.293  -4.389  -3.999
  448    HA   LEU  64           HA       LEU  64  -5.360  -2.390  -4.135
  449    HB2  LEU  64           HB2      LEU  64  -7.085  -3.407  -2.153
  450    HB3  LEU  64           HB1      LEU  64  -5.464  -3.619  -1.512
  451    HG   LEU  64           HG       LEU  64  -6.709  -1.020  -2.382
  452   HD11  LEU  64          HD11      LEU  64  -5.908  -2.112   0.318
  453   HD12  LEU  64          HD12      LEU  64  -7.553  -1.802  -0.249
  454   HD13  LEU  64          HD13      LEU  64  -6.438  -0.457   0.009
  455   HD21  LEU  64          HD21      LEU  64  -4.318  -1.148  -2.935
  456   HD22  LEU  64          HD22      LEU  64  -3.971  -1.581  -1.261
  457   HD23  LEU  64          HD23      LEU  64  -4.637   0.009  -1.639
  458    H    ARG  65           HN       ARG  65  -5.279  -5.636  -2.995
  459    HA   ARG  65           HA       ARG  65  -2.636  -5.716  -2.046
  460    HB2  ARG  65           HB2      ARG  65  -4.466  -7.294  -1.425
  461    HB3  ARG  65           HB1      ARG  65  -4.315  -8.046  -3.013
  462    HG2  ARG  65           HG2      ARG  65  -1.875  -7.819  -1.315
  463    HG3  ARG  65           HG1      ARG  65  -3.097  -8.990  -0.849
  464    HD2  ARG  65           HD2      ARG  65  -2.963  -9.953  -3.143
  465    HD3  ARG  65           HD1      ARG  65  -1.630  -8.845  -3.476
  466    HE   ARG  65           HE       ARG  65  -1.149 -10.365  -1.119
  467   HH11  ARG  65          HH11      ARG  65  -1.095 -10.604  -4.611
  468   HH12  ARG  65          HH12      ARG  65   0.123 -11.834  -4.632
  469   HH21  ARG  65          HH21      ARG  65   0.436 -11.990  -1.145
  470   HH22  ARG  65          HH22      ARG  65   1.017 -12.619  -2.663
  471    H    ASN  66           HN       ASN  66  -4.097  -6.780  -5.029
  472    HA   ASN  66           HA       ASN  66  -1.875  -7.786  -6.330
  473    HB2  ASN  66           HB2      ASN  66  -4.493  -6.646  -7.207
  474    HB3  ASN  66           HB1      ASN  66  -3.288  -7.047  -8.422
  475   HD21  ASN  66          HD21      ASN  66  -5.910  -8.264  -7.863
  476   HD22  ASN  66          HD22      ASN  66  -5.584  -9.939  -7.582
  477    H    THR  67           HN       THR  67  -3.020  -4.433  -6.109
  478    HA   THR  67           HA       THR  67  -1.000  -3.482  -7.907
  479    HB   THR  67           HB       THR  67  -2.722  -1.989  -5.940
  480    HG1  THR  67           HG1      THR  67  -4.019  -2.802  -7.542
  481   HG21  THR  67          HG21      THR  67  -2.105   0.029  -7.218
  482   HG22  THR  67          HG22      THR  67  -0.976  -0.936  -8.169
  483   HG23  THR  67          HG23      THR  67  -0.701  -0.707  -6.442
  484    H    LEU  68           HN       LEU  68  -1.425  -3.315  -4.366
  485    HA   LEU  68           HA       LEU  68   0.913  -2.024  -3.658
  486    HB2  LEU  68           HB2      LEU  68  -0.116  -4.460  -2.217
  487    HB3  LEU  68           HB1      LEU  68   0.775  -3.120  -1.537
  488    HG   LEU  68           HG       LEU  68  -1.974  -2.780  -2.676
  489   HD11  LEU  68          HD11      LEU  68  -1.351  -3.210   0.224
  490   HD12  LEU  68          HD12      LEU  68  -1.742  -4.553  -0.846
  491   HD13  LEU  68          HD13      LEU  68  -2.912  -3.262  -0.596
  492   HD21  LEU  68          HD21      LEU  68  -0.600  -0.764  -2.335
  493   HD22  LEU  68          HD22      LEU  68  -0.388  -1.215  -0.642
  494   HD23  LEU  68          HD23      LEU  68  -1.991  -0.813  -1.254
  495    H    THR  69           HN       THR  69   0.389  -5.507  -3.851
  496    HA   THR  69           HA       THR  69   2.893  -6.424  -3.339
  497    HB   THR  69           HB       THR  69   0.492  -7.387  -4.789
  498    HG1  THR  69           HG1      THR  69   2.113  -8.647  -2.823
  499   HG21  THR  69          HG21      THR  69   1.536  -9.479  -5.491
  500   HG22  THR  69          HG22      THR  69   3.116  -8.847  -5.023
  501   HG23  THR  69          HG23      THR  69   2.212  -8.083  -6.339
  502    H    HIS  70           HN       HIS  70   1.601  -5.200  -6.363
  503    HA   HIS  70           HA       HIS  70   3.794  -6.150  -7.922
  504    HB2  HIS  70           HB2      HIS  70   1.545  -5.830  -8.889
  505    HB3  HIS  70           HB1      HIS  70   1.662  -4.117  -8.568
  506    HD1  HIS  70           HD1      HIS  70   2.796  -6.746 -10.946
  507    HD2  HIS  70           HD2      HIS  70   3.329  -2.672 -10.332
  508    HE1  HIS  70           HE1      HIS  70   3.876  -5.883 -13.045
  509    HE2  HIS  70           HE2      HIS  70   4.351  -3.455 -12.573
  510    H    ASN  71           HN       ASN  71   2.949  -3.137  -6.358
  511    HA   ASN  71           HA       ASN  71   5.194  -1.757  -7.525
  512    HB2  ASN  71           HB2      ASN  71   3.122  -0.914  -5.534
  513    HB3  ASN  71           HB1      ASN  71   4.435   0.132  -6.077
  514   HD21  ASN  71          HD21      ASN  71   1.536  -1.512  -6.976
  515   HD22  ASN  71          HD22      ASN  71   1.246  -0.643  -8.437
  516    H    THR  72           HN       THR  72   4.691  -3.663  -4.723
  517    HA   THR  72           HA       THR  72   7.065  -2.471  -3.469
  518    HB   THR  72           HB       THR  72   6.209  -3.256  -1.327
  519    HG1  THR  72           HG1      THR  72   3.825  -4.031  -2.668
  520   HG21  THR  72          HG21      THR  72   3.817  -1.966  -2.553
  521   HG22  THR  72          HG22      THR  72   5.346  -1.084  -2.604
  522   HG23  THR  72          HG23      THR  72   4.657  -1.571  -1.050
  523    H    GLY  73           HN       GLY  73   5.695  -5.337  -4.802
  524    HA2  GLY  73           HA2      GLY  73   6.980  -7.149  -5.521
  525    HA3  GLY  73           HA1      GLY  73   8.314  -6.525  -4.575
  526    H    LEU  74           HN       LEU  74   5.565  -6.605  -2.713
  527    HA   LEU  74           HA       LEU  74   6.638  -8.872  -1.247
  528    HB2  LEU  74           HB2      LEU  74   5.581  -6.417  -0.506
  529    HB3  LEU  74           HB1      LEU  74   4.302  -7.545  -0.119
  530    HG   LEU  74           HG       LEU  74   5.699  -7.195   1.812
  531   HD11  LEU  74          HD11      LEU  74   4.784  -9.442   1.500
  532   HD12  LEU  74          HD12      LEU  74   6.329  -9.464   2.352
  533   HD13  LEU  74          HD13      LEU  74   6.254  -9.910   0.648
  534   HD21  LEU  74          HD21      LEU  74   7.707  -6.465   0.709
  535   HD22  LEU  74          HD22      LEU  74   7.921  -8.051  -0.028
  536   HD23  LEU  74          HD23      LEU  74   8.100  -7.859   1.720
  537    H    ASP  75           HN       ASP  75   5.576 -10.673  -0.782
  538    HA   ASP  75           HA       ASP  75   2.986 -11.057  -2.117
  539    HB2  ASP  75           HB2      ASP  75   4.827 -12.099  -3.372
  540    HB3  ASP  75           HB1      ASP  75   5.252 -13.015  -1.936
  541    H    LEU  76           HN       LEU  76   2.702 -10.320   0.326
  542    HA   LEU  76           HA       LEU  76   2.460 -12.760   1.939
  543    HB2  LEU  76           HB2      LEU  76   3.422 -10.448   2.762
  544    HB3  LEU  76           HB1      LEU  76   1.730 -10.041   2.952
  545    HG   LEU  76           HG       LEU  76   1.477 -12.016   4.461
  546   HD11  LEU  76          HD11      LEU  76   4.486 -12.113   4.273
  547   HD12  LEU  76          HD12      LEU  76   3.379 -13.324   3.629
  548   HD13  LEU  76          HD13      LEU  76   3.482 -13.062   5.368
  549   HD21  LEU  76          HD21      LEU  76   3.541  -9.984   5.269
  550   HD22  LEU  76          HD22      LEU  76   2.611 -11.003   6.367
  551   HD23  LEU  76          HD23      LEU  76   1.791  -9.797   5.377
  552    HA   PRO  77           HA       PRO  77  -1.809 -13.813   1.422
  553    HB2  PRO  77           HB2      PRO  77  -2.243 -12.770   4.154
  554    HB3  PRO  77           HB1      PRO  77  -2.581 -14.366   3.487
  555    HG2  PRO  77           HG2      PRO  77  -0.275 -13.519   4.970
  556    HG3  PRO  77           HG1      PRO  77  -0.627 -15.127   4.320
  557    HD2  PRO  77           HD2      PRO  77   1.424 -13.537   3.439
  558    HD3  PRO  77           HD1      PRO  77   0.636 -14.773   2.442
  559    HA   PRO  78           HA       PRO  78  -4.073 -10.149   0.058
  560    HB2  PRO  78           HB2      PRO  78  -6.171 -12.213   0.445
  561    HB3  PRO  78           HB1      PRO  78  -5.928 -11.115  -0.918
  562    HG2  PRO  78           HG2      PRO  78  -5.212 -13.621  -1.185
  563    HG3  PRO  78           HG1      PRO  78  -4.094 -12.353  -1.727
  564    HD2  PRO  78           HD2      PRO  78  -4.017 -14.007   0.767
  565    HD3  PRO  78           HD1      PRO  78  -2.686 -13.506  -0.297
  566    H    THR  79           HN       THR  79  -4.191 -11.486   3.075
  567    HA   THR  79           HA       THR  79  -6.630 -10.081   3.828
  568    HB   THR  79           HB       THR  79  -6.245 -11.261   6.046
  569    HG1  THR  79           HG1      THR  79  -4.886 -13.312   5.353
  570   HG21  THR  79          HG21      THR  79  -7.908 -12.028   4.471
  571   HG22  THR  79          HG22      THR  79  -7.070 -13.430   5.136
  572   HG23  THR  79          HG23      THR  79  -6.674 -12.850   3.514
  573    H    LEU  80           HN       LEU  80  -4.244  -8.764   3.019
  574    HA   LEU  80           HA       LEU  80  -2.841  -7.759   5.298
  575    HB2  LEU  80           HB2      LEU  80  -2.980  -6.771   2.448
  576    HB3  LEU  80           HB1      LEU  80  -1.928  -6.096   3.675
  577    HG   LEU  80           HG       LEU  80  -1.808  -8.903   2.577
  578   HD11  LEU  80          HD11      LEU  80   0.339  -8.193   1.661
  579   HD12  LEU  80          HD12      LEU  80   0.067  -6.563   2.276
  580   HD13  LEU  80          HD13      LEU  80  -0.986  -7.220   1.024
  581   HD21  LEU  80          HD21      LEU  80   0.244  -9.098   3.928
  582   HD22  LEU  80          HD22      LEU  80  -1.202  -8.909   4.916
  583   HD23  LEU  80          HD23      LEU  80  -0.118  -7.539   4.669
  584    H    ILE  81           HN       ILE  81  -5.597  -6.754   3.354
  585    HA   ILE  81           HA       ILE  81  -5.845  -4.158   4.540
  586    HB   ILE  81           HB       ILE  81  -8.112  -5.815   3.400
  587   HG12  ILE  81          HG12      ILE  81  -6.492  -5.693   1.665
  588   HG13  ILE  81          HG11      ILE  81  -7.656  -4.417   1.344
  589   HG21  ILE  81          HG21      ILE  81  -7.804  -2.835   3.391
  590   HG22  ILE  81          HG22      ILE  81  -8.602  -3.692   4.717
  591   HG23  ILE  81          HG23      ILE  81  -9.253  -3.788   3.078
  592   HD11  ILE  81          HD11      ILE  81  -5.306  -3.757   1.038
  593   HD12  ILE  81          HD12      ILE  81  -5.060  -3.998   2.772
  594   HD13  ILE  81          HD13      ILE  81  -6.195  -2.775   2.202
  595    H    PHE  82           HN       PHE  82  -7.133  -7.307   5.271
  596    HA   PHE  82           HA       PHE  82  -8.780  -6.625   7.415
  597    HB2  PHE  82           HB2      PHE  82  -7.340  -9.201   6.753
  598    HB3  PHE  82           HB1      PHE  82  -8.613  -9.049   7.952
  599    HD1  PHE  82           HD1      PHE  82 -10.783  -9.482   7.340
  600    HD2  PHE  82           HD2      PHE  82  -7.994  -8.361   4.317
  601    HE1  PHE  82           HE1      PHE  82 -12.483  -9.888   5.620
  602    HE2  PHE  82           HE2      PHE  82  -9.696  -8.773   2.599
  603    HZ   PHE  82           HZ       PHE  82 -11.945  -9.535   3.245
  604    H    ASP  83           HN       ASP  83  -5.332  -7.177   7.230
  605    HA   ASP  83           HA       ASP  83  -5.059  -7.162  10.142
  606    HB2  ASP  83           HB2      ASP  83  -3.735  -8.768   8.769
  607    HB3  ASP  83           HB1      ASP  83  -2.911  -7.407   8.029
  608    H    HIS  84           HN       HIS  84  -4.576  -5.139   7.373
  609    HA   HIS  84           HA       HIS  84  -3.683  -2.941   9.117
  610    HB2  HIS  84           HB2      HIS  84  -2.586  -3.739   6.426
  611    HB3  HIS  84           HB1      HIS  84  -2.374  -2.123   7.067
  612    HD1  HIS  84           HD1      HIS  84  -0.579  -1.816   8.887
  613    HD2  HIS  84           HD2      HIS  84  -1.183  -5.783   7.800
  614    HE1  HIS  84           HE1      HIS  84   1.306  -3.095   9.933
  615    HE2  HIS  84           HE2      HIS  84   0.801  -5.508   9.437
  616    HA   PRO  85           HA       PRO  85  -7.503  -2.093   6.957
  617    HB2  PRO  85           HB2      PRO  85  -8.780  -0.789   8.897
  618    HB3  PRO  85           HB1      PRO  85  -8.417  -2.513   9.046
  619    HG2  PRO  85           HG2      PRO  85  -7.006  -0.171  10.259
  620    HG3  PRO  85           HG1      PRO  85  -7.414  -1.732  10.991
  621    HD2  PRO  85           HD2      PRO  85  -4.940  -1.072   9.934
  622    HD3  PRO  85           HD1      PRO  85  -5.534  -2.726  10.176
  623    H    THR  86           HN       THR  86  -5.098   0.201   7.434
  624    HA   THR  86           HA       THR  86  -6.807   2.177   6.114
  625    HB   THR  86           HB       THR  86  -5.670   4.005   7.243
  626    HG1  THR  86           HG1      THR  86  -4.491   3.026   9.293
  627   HG21  THR  86          HG21      THR  86  -6.849   1.987   9.149
  628   HG22  THR  86          HG22      THR  86  -7.717   3.248   8.273
  629   HG23  THR  86          HG23      THR  86  -6.565   3.684   9.533
  630    HA   PRO  87           HA       PRO  87  -3.611   2.518   3.016
  631    HB2  PRO  87           HB2      PRO  87  -3.740   5.455   3.355
  632    HB3  PRO  87           HB1      PRO  87  -3.885   4.483   1.891
  633    HG2  PRO  87           HG2      PRO  87  -6.037   5.594   3.017
  634    HG3  PRO  87           HG1      PRO  87  -6.110   3.989   2.269
  635    HD2  PRO  87           HD2      PRO  87  -6.040   4.733   5.158
  636    HD3  PRO  87           HD1      PRO  87  -6.895   3.404   4.353
  637    H    HIS  88           HN       HIS  88  -3.391   4.543   5.882
  638    HA   HIS  88           HA       HIS  88  -0.588   4.850   5.959
  639    HB2  HIS  88           HB2      HIS  88  -2.149   6.135   7.374
  640    HB3  HIS  88           HB1      HIS  88  -2.593   4.665   8.220
  641    HD1  HIS  88           HD1      HIS  88   0.635   6.614   7.582
  642    HD2  HIS  88           HD2      HIS  88  -1.279   4.395  10.530
  643    HE1  HIS  88           HE1      HIS  88   2.156   6.691   9.581
  644    HE2  HIS  88           HE2      HIS  88   0.873   5.517  11.405
  645    H    ALA  89           HN       ALA  89  -2.728   2.492   7.541
  646    HA   ALA  89           HA       ALA  89  -0.809   0.905   8.753
  647    HB1  ALA  89           HB1      ALA  89  -2.504  -0.851   8.775
  648    HB2  ALA  89           HB2      ALA  89  -3.461   0.063   7.605
  649    HB3  ALA  89           HB3      ALA  89  -3.183   0.717   9.222
  650    H    LEU  90           HN       LEU  90  -2.394   0.251   5.594
  651    HA   LEU  90           HA       LEU  90  -0.923  -1.961   4.859
  652    HB2  LEU  90           HB2      LEU  90  -2.728  -0.223   3.636
  653    HB3  LEU  90           HB1      LEU  90  -1.308  -0.166   2.635
  654    HG   LEU  90           HG       LEU  90  -1.390  -2.520   2.224
  655   HD11  LEU  90          HD11      LEU  90  -3.111  -3.951   3.134
  656   HD12  LEU  90          HD12      LEU  90  -3.794  -2.603   4.039
  657   HD13  LEU  90          HD13      LEU  90  -2.194  -3.220   4.447
  658   HD21  LEU  90          HD21      LEU  90  -3.534  -2.658   1.066
  659   HD22  LEU  90          HD22      LEU  90  -2.766  -1.089   0.825
  660   HD23  LEU  90          HD23      LEU  90  -4.109  -1.255   1.959
  661    H    THR  91           HN       THR  91  -0.201   1.434   4.377
  662    HA   THR  91           HA       THR  91   2.154   1.118   2.959
  663    HB   THR  91           HB       THR  91   1.117   3.292   4.770
  664    HG1  THR  91           HG1      THR  91   0.140   3.418   2.855
  665   HG21  THR  91          HG21      THR  91   3.818   3.160   3.481
  666   HG22  THR  91          HG22      THR  91   3.394   3.630   5.126
  667   HG23  THR  91          HG23      THR  91   3.020   4.703   3.778
  668    H    GLN  92           HN       GLN  92   1.605   1.498   6.446
  669    HA   GLN  92           HA       GLN  92   4.192   1.320   7.393
  670    HB2  GLN  92           HB2      GLN  92   1.659   0.204   8.596
  671    HB3  GLN  92           HB1      GLN  92   3.162   0.410   9.471
  672    HG2  GLN  92           HG2      GLN  92   2.986   2.876   8.864
  673    HG3  GLN  92           HG1      GLN  92   1.335   2.510   8.378
  674   HE21  GLN  92          HE21      GLN  92   3.538   2.778  11.039
  675   HE22  GLN  92          HE22      GLN  92   2.348   2.718  12.293
  676    H    HIS  93           HN       HIS  93   2.006  -1.215   6.385
  677    HA   HIS  93           HA       HIS  93   3.482  -3.431   7.273
  678    HB2  HIS  93           HB2      HIS  93   1.209  -3.751   6.622
  679    HB3  HIS  93           HB1      HIS  93   1.500  -3.080   5.023
  680    HD1  HIS  93           HD1      HIS  93   2.487  -6.125   7.077
  681    HD2  HIS  93           HD2      HIS  93   2.032  -4.927   3.115
  682    HE1  HIS  93           HE1      HIS  93   2.876  -8.180   5.703
  683    HE2  HIS  93           HE2      HIS  93   2.392  -7.481   3.333
  684    H    LEU  94           HN       LEU  94   3.420  -1.905   4.026
  685    HA   LEU  94           HA       LEU  94   5.486  -3.678   3.078
  686    HB2  LEU  94           HB2      LEU  94   4.310  -1.174   1.860
  687    HB3  LEU  94           HB1      LEU  94   5.323  -2.342   1.028
  688    HG   LEU  94           HG       LEU  94   2.698  -3.102   2.286
  689   HD11  LEU  94          HD11      LEU  94   3.041  -2.511  -0.632
  690   HD12  LEU  94          HD12      LEU  94   2.500  -1.287   0.537
  691   HD13  LEU  94          HD13      LEU  94   1.558  -2.761   0.300
  692   HD21  LEU  94          HD21      LEU  94   2.837  -5.003   0.770
  693   HD22  LEU  94          HD22      LEU  94   4.289  -4.916   1.766
  694   HD23  LEU  94          HD23      LEU  94   4.338  -4.377   0.083
  695    H    HIS  95           HN       HIS  95   5.373  -0.613   4.654
  696    HA   HIS  95           HA       HIS  95   7.932   0.360   3.769
  697    HB2  HIS  95           HB2      HIS  95   6.136   1.870   4.641
  698    HB3  HIS  95           HB1      HIS  95   6.307   1.115   6.220
  699    HD1  HIS  95           HD1      HIS  95   8.398   1.745   7.617
  700    HD2  HIS  95           HD2      HIS  95   8.109   3.730   3.975
  701    HE1  HIS  95           HE1      HIS  95  10.062   3.613   7.736
  702    HE2  HIS  95           HE2      HIS  95   9.645   4.954   5.653
  703    H    THR  96           HN       THR  96   6.687  -1.731   6.233
  704    HA   THR  96           HA       THR  96   9.161  -1.800   7.722
  705    HB   THR  96           HB       THR  96   6.351  -2.617   8.089
  706    HG1  THR  96           HG1      THR  96   8.361  -1.806   9.937
  707   HG21  THR  96          HG21      THR  96   8.560  -4.206   9.374
  708   HG22  THR  96          HG22      THR  96   7.343  -4.795   8.241
  709   HG23  THR  96          HG23      THR  96   6.861  -4.249   9.847
  710    H    ARG  97           HN       ARG  97   7.173  -3.843   5.613
  711    HA   ARG  97           HA       ARG  97   8.751  -6.168   5.879
  712    HB2  ARG  97           HB2      ARG  97   6.681  -5.289   3.900
  713    HB3  ARG  97           HB1      ARG  97   7.543  -6.805   3.691
  714    HG2  ARG  97           HG2      ARG  97   6.011  -6.051   6.147
  715    HG3  ARG  97           HG1      ARG  97   5.353  -7.032   4.836
  716    HD2  ARG  97           HD2      ARG  97   7.131  -8.676   5.211
  717    HD3  ARG  97           HD1      ARG  97   7.759  -7.702   6.532
  718    HE   ARG  97           HE       ARG  97   5.224  -8.126   7.304
  719   HH11  ARG  97          HH11      ARG  97   7.717 -10.291   6.147
  720   HH12  ARG  97          HH12      ARG  97   7.148 -11.647   7.065
  721   HH21  ARG  97          HH21      ARG  97   4.469  -9.923   8.522
  722   HH22  ARG  97          HH22      ARG  97   5.313 -11.435   8.422
  723    H    LEU  98           HN       LEU  98   9.115  -3.342   3.965
  724    HA   LEU  98           HA       LEU  98  10.710  -4.100   1.886
  725    HB2  LEU  98           HB2      LEU  98  10.428  -1.720   3.475
  726    HB3  LEU  98           HB1      LEU  98  12.095  -1.940   3.011
  727    HG   LEU  98           HG       LEU  98  11.590  -0.910   1.103
  728   HD11  LEU  98          HD11      LEU  98  10.603  -2.175  -0.675
  729   HD12  LEU  98          HD12      LEU  98   9.806  -3.254   0.470
  730   HD13  LEU  98          HD13      LEU  98  11.567  -3.270   0.318
  731   HD21  LEU  98          HD21      LEU  98   9.609   0.008   2.168
  732   HD22  LEU  98          HD22      LEU  98   8.686  -1.413   1.675
  733   HD23  LEU  98          HD23      LEU  98   9.336  -0.314   0.457
  734    H    THR  99           HN       THR  99  11.716  -3.694   5.231
  735    HA   THR  99           HA       THR  99  14.317  -4.863   4.627
  736    HB   THR  99           HB       THR  99  14.744  -3.095   6.019
  737    HG1  THR  99           HG1      THR  99  15.707  -4.576   7.242
  738   HG21  THR  99          HG21      THR  99  13.325  -2.329   7.849
  739   HG22  THR  99          HG22      THR  99  12.240  -3.695   7.594
  740   HG23  THR  99          HG23      THR  99  12.397  -2.452   6.350
  741    H    GLN 100           HN       GLN 100  11.483  -5.403   6.668
  742    HA   GLN 100           HA       GLN 100  12.420  -7.891   7.709
  743    HB2  GLN 100           HB2      GLN 100   9.606  -6.838   7.671
  744    HB3  GLN 100           HB1      GLN 100  10.251  -8.072   8.739
  745    HG2  GLN 100           HG2      GLN 100  11.110  -5.191   8.684
  746    HG3  GLN 100           HG1      GLN 100   9.994  -5.906   9.841
  747   HE21  GLN 100          HE21      GLN 100  13.306  -5.632   8.836
  748   HE22  GLN 100          HE22      GLN 100  14.002  -6.370  10.236
  749    H    SER 101           HN       SER 101  12.805  -8.342   5.154
  750    HA   SER 101           HA       SER 101  11.266 -10.638   4.615
  751    HB2  SER 101           HB2      SER 101   9.608  -8.940   3.915
  752    HB3  SER 101           HB1      SER 101  10.757  -8.316   2.737
  753    HG   SER 101           HG       SER 101  10.030  -9.788   1.445
  754    H    HIS 102           HN       HIS 102  11.701 -11.148   2.074
  755    HA   HIS 102           HA       HIS 102  14.372 -10.353   1.313
  756    HB2  HIS 102           HB2      HIS 102  15.146 -12.716   1.039
  757    HB3  HIS 102           HB1      HIS 102  14.957 -12.217   2.701
  758    HD1  HIS 102           HD1      HIS 102  14.513 -15.099   0.873
  759    HD2  HIS 102           HD2      HIS 102  11.995 -12.976   3.395
  760    HE1  HIS 102           HE1      HIS 102  12.795 -16.761   1.656
  761    HE2  HIS 102           HE2      HIS 102  11.193 -15.418   3.065
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   3.656 -11.341 -14.132
    2    H2   GLY   1           HT2      GLY   1   5.332 -11.132 -14.237
    3    H3   GLY   1           HT3      GLY   1   4.305  -9.794 -14.333
    4    HA2  GLY   1           HA1      GLY   1   3.603 -10.113 -12.058
    5    HA3  GLY   1           HA2      GLY   1   4.642 -11.527 -11.956
    6    H    ALA   2           HN       ALA   2   5.041  -9.686 -10.099
    7    HA   ALA   2           HA       ALA   2   7.081  -7.804 -10.924
    8    HB1  ALA   2           HB1      ALA   2   5.458  -7.194  -9.184
    9    HB2  ALA   2           HB2      ALA   2   7.116  -7.121  -8.590
   10    HB3  ALA   2           HB3      ALA   2   6.083  -8.484  -8.158
   11    H    ALA   3           HN       ALA   3   9.055  -8.509 -11.306
   12    HA   ALA   3           HA       ALA   3  10.122 -10.951 -10.294
   13    HB1  ALA   3           HB1      ALA   3  11.720  -8.678 -11.446
   14    HB2  ALA   3           HB2      ALA   3  10.782  -9.788 -12.453
   15    HB3  ALA   3           HB3      ALA   3  12.106 -10.399 -11.459
   16    H    SER   4           HN       SER   4  11.010  -7.576  -9.791
   17    HA   SER   4           HA       SER   4  11.727  -8.063  -7.046
   18    HB2  SER   4           HB2      SER   4  14.061  -7.100  -7.554
   19    HB3  SER   4           HB1      SER   4  13.775  -8.790  -7.940
   20    HG   SER   4           HG       SER   4  14.715  -7.938  -9.725
   21    H    ALA   5           HN       ALA   5   9.727  -6.470  -7.923
   22    HA   ALA   5           HA       ALA   5  10.592  -3.789  -8.439
   23    HB1  ALA   5           HB1      ALA   5   8.452  -4.614  -9.275
   24    HB2  ALA   5           HB2      ALA   5   8.225  -3.209  -8.233
   25    HB3  ALA   5           HB3      ALA   5   7.879  -4.827  -7.621
   26    H    ALA   6           HN       ALA   6  10.615  -5.632  -5.692
   27    HA   ALA   6           HA       ALA   6   9.971  -3.698  -3.714
   28    HB1  ALA   6           HB1      ALA   6  10.090  -6.076  -3.214
   29    HB2  ALA   6           HB2      ALA   6  11.211  -5.170  -2.194
   30    HB3  ALA   6           HB3      ALA   6  11.818  -6.084  -3.579
   31    H    THR   7           HN       THR   7  13.182  -4.782  -4.938
   32    HA   THR   7           HA       THR   7  14.515  -2.557  -3.893
   33    HB   THR   7           HB       THR   7  15.660  -4.610  -4.546
   34    HG1  THR   7           HG1      THR   7  17.286  -3.280  -5.988
   35   HG21  THR   7          HG21      THR   7  15.194  -3.674  -7.376
   36   HG22  THR   7          HG22      THR   7  14.477  -5.098  -6.626
   37   HG23  THR   7          HG23      THR   7  16.219  -5.028  -6.898
   38    H    ASP   8           HN       ASP   8  12.098  -2.398  -6.106
   39    HA   ASP   8           HA       ASP   8  13.281  -0.141  -7.537
   40    HB2  ASP   8           HB2      ASP   8  11.109  -1.994  -8.096
   41    HB3  ASP   8           HB1      ASP   8  10.608  -0.309  -8.216
   42    H    LEU   9           HN       LEU   9  10.798  -1.183  -5.346
   43    HA   LEU   9           HA       LEU   9   9.554   1.313  -4.950
   44    HB2  LEU   9           HB2      LEU   9   8.405  -0.634  -4.213
   45    HB3  LEU   9           HB1      LEU   9   9.762  -1.147  -3.233
   46    HG   LEU   9           HG       LEU   9   9.451   0.976  -1.898
   47   HD11  LEU   9          HD11      LEU   9   7.257   2.019  -1.970
   48   HD12  LEU   9          HD12      LEU   9   6.805   0.988  -3.329
   49   HD13  LEU   9          HD13      LEU   9   8.109   2.179  -3.516
   50   HD21  LEU   9          HD21      LEU   9   7.762  -0.001  -0.491
   51   HD22  LEU   9          HD22      LEU   9   8.833  -1.255  -1.109
   52   HD23  LEU   9          HD23      LEU   9   7.230  -1.045  -1.804
   53    H    ALA  10           HN       ALA  10  11.699  -0.579  -2.951
   54    HA   ALA  10           HA       ALA  10  12.416   1.505  -1.167
   55    HB1  ALA  10           HB1      ALA  10  13.915  -1.025  -1.837
   56    HB2  ALA  10           HB2      ALA  10  12.701  -0.826  -0.571
   57    HB3  ALA  10           HB3      ALA  10  14.243   0.024  -0.458
   58    H    ALA  11           HN       ALA  11  12.999   1.355  -4.356
   59    HA   ALA  11           HA       ALA  11  15.574   2.666  -4.326
   60    HB1  ALA  11           HB1      ALA  11  15.182   2.843  -6.772
   61    HB2  ALA  11           HB2      ALA  11  13.646   1.997  -6.527
   62    HB3  ALA  11           HB3      ALA  11  15.177   1.195  -6.148
   63    H    ARG  12           HN       ARG  12  12.102   3.447  -4.823
   64    HA   ARG  12           HA       ARG  12  12.451   6.215  -5.236
   65    HB2  ARG  12           HB2      ARG  12  10.269   4.480  -4.168
   66    HB3  ARG  12           HB1      ARG  12  10.094   6.219  -4.108
   67    HG2  ARG  12           HG2      ARG  12   8.972   5.607  -6.019
   68    HG3  ARG  12           HG1      ARG  12  10.556   6.097  -6.623
   69    HD2  ARG  12           HD2      ARG  12  11.252   3.883  -6.909
   70    HD3  ARG  12           HD1      ARG  12   9.925   3.280  -5.917
   71    HE   ARG  12           HE       ARG  12   8.561   4.350  -7.911
   72   HH11  ARG  12          HH11      ARG  12  11.437   2.371  -8.028
   73   HH12  ARG  12          HH12      ARG  12  11.081   1.713  -9.596
   74   HH21  ARG  12          HH21      ARG  12   8.077   3.495  -9.970
   75   HH22  ARG  12          HH22      ARG  12   9.170   2.368 -10.709
   76    H    LEU  13           HN       LEU  13  12.385   4.122  -2.512
   77    HA   LEU  13           HA       LEU  13  12.085   6.171  -0.518
   78    HB2  LEU  13           HB2      LEU  13  12.523   3.221  -0.499
   79    HB3  LEU  13           HB1      LEU  13  12.646   4.136   0.984
   80    HG   LEU  13           HG       LEU  13  10.336   4.707   0.937
   81   HD11  LEU  13          HD11      LEU  13   9.862   5.307  -1.240
   82   HD12  LEU  13          HD12      LEU  13   8.878   3.869  -0.949
   83   HD13  LEU  13          HD13      LEU  13  10.379   3.745  -1.883
   84   HD21  LEU  13          HD21      LEU  13   9.247   2.544   0.927
   85   HD22  LEU  13          HD22      LEU  13  10.830   2.455   1.699
   86   HD23  LEU  13          HD23      LEU  13  10.616   1.852   0.056
   87    H    ASN  14           HN       ASN  14  14.577   4.227  -1.914
   88    HA   ASN  14           HA       ASN  14  16.776   4.659  -0.386
   89    HB2  ASN  14           HB2      ASN  14  16.171   3.717  -2.900
   90    HB3  ASN  14           HB1      ASN  14  17.271   5.054  -3.237
   91   HD21  ASN  14          HD21      ASN  14  16.931   1.862  -2.121
   92   HD22  ASN  14          HD22      ASN  14  18.600   1.548  -1.802
   93    H    GLY  15           HN       GLY  15  17.853   6.373   0.282
   94    HA2  GLY  15           HA2      GLY  15  18.994   8.420  -0.037
   95    HA3  GLY  15           HA1      GLY  15  17.918   8.784  -1.379
   96    H    LEU  16           HN       LEU  16  15.603   7.924   0.300
   97    HA   LEU  16           HA       LEU  16  15.128  10.573   1.381
   98    HB2  LEU  16           HB2      LEU  16  13.423   8.270   0.572
   99    HB3  LEU  16           HB1      LEU  16  12.771   9.436   1.695
  100    HG   LEU  16           HG       LEU  16  12.040  10.021  -0.499
  101   HD11  LEU  16          HD11      LEU  16  12.793  12.269  -0.609
  102   HD12  LEU  16          HD12      LEU  16  14.298  11.860   0.212
  103   HD13  LEU  16          HD13      LEU  16  12.766  11.790   1.093
  104   HD21  LEU  16          HD21      LEU  16  13.609  10.539  -2.311
  105   HD22  LEU  16          HD22      LEU  16  13.726   8.852  -1.811
  106   HD23  LEU  16          HD23      LEU  16  14.951  10.012  -1.294
  107    H    SER  17           HN       SER  17  13.916  10.805   3.384
  108    HA   SER  17           HA       SER  17  14.992   9.175   5.522
  109    HB2  SER  17           HB2      SER  17  13.212  11.614   5.446
  110    HB3  SER  17           HB1      SER  17  13.650  10.797   6.939
  111    HG   SER  17           HG       SER  17  15.190  12.369   5.239
  112    HA   PRO  18           HA       PRO  18  11.976   6.162   6.146
  113    HB2  PRO  18           HB2      PRO  18  11.385   7.443   8.790
  114    HB3  PRO  18           HB1      PRO  18  11.671   5.740   8.405
  115    HG2  PRO  18           HG2      PRO  18  13.625   7.156   9.471
  116    HG3  PRO  18           HG1      PRO  18  13.974   6.064   8.118
  117    HD2  PRO  18           HD2      PRO  18  13.735   9.033   8.128
  118    HD3  PRO  18           HD1      PRO  18  14.835   7.987   7.208
  119    H    GLN  19           HN       GLN  19  10.770   9.310   7.324
  120    HA   GLN  19           HA       GLN  19   8.017   8.660   6.927
  121    HB2  GLN  19           HB2      GLN  19   8.786  10.409   8.492
  122    HB3  GLN  19           HB1      GLN  19   9.298  11.380   7.118
  123    HG2  GLN  19           HG2      GLN  19   7.202  12.228   7.731
  124    HG3  GLN  19           HG1      GLN  19   6.928  11.230   6.302
  125   HE21  GLN  19          HE21      GLN  19   6.427  11.530   9.713
  126   HE22  GLN  19          HE22      GLN  19   5.249  10.267   9.851
  127    H    GLN  20           HN       GLN  20  10.471  10.150   4.885
  128    HA   GLN  20           HA       GLN  20   8.647  11.052   2.855
  129    HB2  GLN  20           HB2      GLN  20  11.622  10.508   2.886
  130    HB3  GLN  20           HB1      GLN  20  10.779  11.056   1.441
  131    HG2  GLN  20           HG2      GLN  20  10.939  12.546   4.047
  132    HG3  GLN  20           HG1      GLN  20  11.894  12.882   2.612
  133   HE21  GLN  20          HE21      GLN  20  10.009  14.585   4.053
  134   HE22  GLN  20          HE22      GLN  20   8.820  15.065   2.892
  135    H    GLN  21           HN       GLN  21  10.791   8.319   3.325
  136    HA   GLN  21           HA       GLN  21  10.213   6.747   1.125
  137    HB2  GLN  21           HB2      GLN  21  10.726   5.960   4.004
  138    HB3  GLN  21           HB1      GLN  21  10.813   4.848   2.650
  139    HG2  GLN  21           HG2      GLN  21  12.648   6.065   1.707
  140    HG3  GLN  21           HG1      GLN  21  12.526   7.307   2.956
  141   HE21  GLN  21          HE21      GLN  21  14.784   5.634   2.268
  142   HE22  GLN  21          HE22      GLN  21  15.186   4.741   3.695
  143    H    GLN  22           HN       GLN  22   8.519   7.136   4.161
  144    HA   GLN  22           HA       GLN  22   6.549   5.164   3.753
  145    HB2  GLN  22           HB2      GLN  22   7.295   6.564   5.867
  146    HB3  GLN  22           HB1      GLN  22   5.986   7.591   5.347
  147    HG2  GLN  22           HG2      GLN  22   4.560   5.500   5.366
  148    HG3  GLN  22           HG1      GLN  22   5.923   4.785   6.218
  149   HE21  GLN  22          HE21      GLN  22   3.365   7.122   6.410
  150   HE22  GLN  22          HE22      GLN  22   3.465   7.375   8.117
  151    H    GLN  23           HN       GLN  23   6.647   8.638   3.135
  152    HA   GLN  23           HA       GLN  23   4.075   9.094   2.278
  153    HB2  GLN  23           HB2      GLN  23   6.637  10.275   1.364
  154    HB3  GLN  23           HB1      GLN  23   5.067  10.934   0.927
  155    HG2  GLN  23           HG2      GLN  23   4.551  11.288   3.269
  156    HG3  GLN  23           HG1      GLN  23   6.095  10.609   3.728
  157   HE21  GLN  23          HE21      GLN  23   6.729  12.494   4.766
  158   HE22  GLN  23          HE22      GLN  23   7.166  13.926   3.903
  159    H    THR  24           HN       THR  24   6.790   7.868   0.381
  160    HA   THR  24           HA       THR  24   5.599   7.964  -2.149
  161    HB   THR  24           HB       THR  24   7.691   6.259  -0.870
  162    HG1  THR  24           HG1      THR  24   8.125   8.431  -1.566
  163   HG21  THR  24          HG21      THR  24   6.812   5.993  -3.751
  164   HG22  THR  24          HG22      THR  24   6.483   4.807  -2.489
  165   HG23  THR  24          HG23      THR  24   8.149   5.139  -2.978
  166    H    LEU  25           HN       LEU  25   5.477   5.453   0.358
  167    HA   LEU  25           HA       LEU  25   3.666   3.770  -1.131
  168    HB2  LEU  25           HB2      LEU  25   4.299   3.904   1.798
  169    HB3  LEU  25           HB1      LEU  25   3.374   2.635   1.033
  170    HG   LEU  25           HG       LEU  25   6.157   3.155   0.103
  171   HD11  LEU  25          HD11      LEU  25   5.432   1.537   2.540
  172   HD12  LEU  25          HD12      LEU  25   6.194   3.126   2.577
  173   HD13  LEU  25          HD13      LEU  25   7.043   1.756   1.851
  174   HD21  LEU  25          HD21      LEU  25   6.060   0.724  -0.257
  175   HD22  LEU  25          HD22      LEU  25   4.757   1.562  -1.093
  176   HD23  LEU  25          HD23      LEU  25   4.429   0.698   0.408
  177    H    ALA  26           HN       ALA  26   3.507   6.118   1.448
  178    HA   ALA  26           HA       ALA  26   0.733   6.008   1.908
  179    HB1  ALA  26           HB1      ALA  26   1.121   7.766   3.399
  180    HB2  ALA  26           HB2      ALA  26   2.403   8.453   2.399
  181    HB3  ALA  26           HB3      ALA  26   2.704   6.973   3.313
  182    H    THR  27           HN       THR  27   2.100   6.734  -0.826
  183    HA   THR  27           HA       THR  27   0.023   8.617  -1.650
  184    HB   THR  27           HB       THR  27   2.925   8.421  -2.398
  185    HG1  THR  27           HG1      THR  27   2.575  10.023  -0.979
  186   HG21  THR  27          HG21      THR  27   0.828   9.734  -4.121
  187   HG22  THR  27          HG22      THR  27   1.706   8.251  -4.509
  188   HG23  THR  27          HG23      THR  27   2.575   9.782  -4.371
  189    H    LEU  28           HN       LEU  28   2.219   6.052  -2.613
  190    HA   LEU  28           HA       LEU  28   0.945   5.276  -4.968
  191    HB2  LEU  28           HB2      LEU  28   3.137   4.635  -4.878
  192    HB3  LEU  28           HB1      LEU  28   3.031   4.203  -3.187
  193    HG   LEU  28           HG       LEU  28   1.387   2.371  -4.213
  194   HD11  LEU  28          HD11      LEU  28   1.690   3.001  -6.492
  195   HD12  LEU  28          HD12      LEU  28   2.443   1.423  -6.224
  196   HD13  LEU  28          HD13      LEU  28   3.443   2.875  -6.335
  197   HD21  LEU  28          HD21      LEU  28   3.025   1.752  -2.699
  198   HD22  LEU  28          HD22      LEU  28   4.337   2.296  -3.752
  199   HD23  LEU  28          HD23      LEU  28   3.418   0.846  -4.166
  200    H    VAL  29           HN       VAL  29   0.885   4.044  -1.707
  201    HA   VAL  29           HA       VAL  29  -0.742   1.796  -2.220
  202    HB   VAL  29           HB       VAL  29  -0.171   3.353   0.300
  203   HG11  VAL  29          HG11      VAL  29  -2.411   2.270   0.408
  204   HG12  VAL  29          HG12      VAL  29  -1.255   1.625   1.577
  205   HG13  VAL  29          HG13      VAL  29  -1.630   0.715   0.112
  206   HG21  VAL  29          HG21      VAL  29   1.672   2.087  -0.744
  207   HG22  VAL  29          HG22      VAL  29   0.712   0.612  -0.602
  208   HG23  VAL  29          HG23      VAL  29   1.234   1.467   0.849
  209    H    ALA  30           HN       ALA  30  -1.337   5.107  -1.434
  210    HA   ALA  30           HA       ALA  30  -4.168   4.815  -1.160
  211    HB1  ALA  30           HB1      ALA  30  -4.110   7.289  -1.188
  212    HB2  ALA  30           HB2      ALA  30  -2.371   7.188  -1.456
  213    HB3  ALA  30           HB3      ALA  30  -3.073   6.556   0.033
  214    H    ALA  31           HN       ALA  31  -1.891   5.660  -3.625
  215    HA   ALA  31           HA       ALA  31  -3.674   6.431  -5.660
  216    HB1  ALA  31           HB1      ALA  31  -1.803   5.876  -7.175
  217    HB2  ALA  31           HB2      ALA  31  -0.974   5.073  -5.831
  218    HB3  ALA  31           HB3      ALA  31  -1.256   6.809  -5.777
  219    H    ALA  32           HN       ALA  32  -2.276   3.388  -4.682
  220    HA   ALA  32           HA       ALA  32  -3.545   1.603  -6.366
  221    HB1  ALA  32           HB1      ALA  32  -2.659   1.449  -3.500
  222    HB2  ALA  32           HB2      ALA  32  -1.832   0.841  -4.936
  223    HB3  ALA  32           HB3      ALA  32  -3.304   0.049  -4.365
  224    H    THR  33           HN       THR  33  -4.682   2.905  -3.216
  225    HA   THR  33           HA       THR  33  -7.188   1.498  -3.465
  226    HB   THR  33           HB       THR  33  -6.580   3.767  -1.564
  227    HG1  THR  33           HG1      THR  33  -4.973   2.083  -1.426
  228   HG21  THR  33          HG21      THR  33  -8.891   3.206  -1.548
  229   HG22  THR  33          HG22      THR  33  -8.184   2.419  -0.134
  230   HG23  THR  33          HG23      THR  33  -8.544   1.477  -1.585
  231    H    ALA  34           HN       ALA  34  -5.946   4.541  -4.484
  232    HA   ALA  34           HA       ALA  34  -8.420   5.840  -4.907
  233    HB1  ALA  34           HB1      ALA  34  -6.213   6.983  -4.878
  234    HB2  ALA  34           HB2      ALA  34  -7.188   7.368  -6.299
  235    HB3  ALA  34           HB3      ALA  34  -5.843   6.230  -6.431
  236    H    THR  35           HN       THR  35  -6.576   3.456  -6.586
  237    HA   THR  35           HA       THR  35  -8.005   3.520  -9.042
  238    HB   THR  35           HB       THR  35  -5.920   1.854  -7.759
  239    HG1  THR  35           HG1      THR  35  -4.842   2.859  -9.247
  240   HG21  THR  35          HG21      THR  35  -7.619   0.216  -8.442
  241   HG22  THR  35          HG22      THR  35  -6.106   0.061  -9.348
  242   HG23  THR  35          HG23      THR  35  -7.508   0.823 -10.099
  243    H    VAL  36           HN       VAL  36  -7.978   1.350  -6.221
  244    HA   VAL  36           HA       VAL  36  -9.709  -0.584  -7.144
  245    HB   VAL  36           HB       VAL  36 -10.218  -1.034  -4.736
  246   HG11  VAL  36          HG11      VAL  36  -7.444  -0.864  -5.765
  247   HG12  VAL  36          HG12      VAL  36  -8.468  -2.281  -5.492
  248   HG13  VAL  36          HG13      VAL  36  -7.762  -1.429  -4.125
  249   HG21  VAL  36          HG21      VAL  36 -10.187   0.900  -3.583
  250   HG22  VAL  36          HG22      VAL  36  -8.765   1.498  -4.431
  251   HG23  VAL  36          HG23      VAL  36  -8.595   0.248  -3.197
  252    H    LEU  37           HN       LEU  37 -10.463   2.526  -5.739
  253    HA   LEU  37           HA       LEU  37 -13.299   1.878  -5.629
  254    HB2  LEU  37           HB2      LEU  37 -12.031   4.524  -5.021
  255    HB3  LEU  37           HB1      LEU  37 -13.551   3.891  -4.425
  256    HG   LEU  37           HG       LEU  37 -10.860   2.741  -3.719
  257   HD11  LEU  37          HD11      LEU  37 -11.038   5.022  -2.924
  258   HD12  LEU  37          HD12      LEU  37 -11.090   3.870  -1.593
  259   HD13  LEU  37          HD13      LEU  37 -12.575   4.642  -2.147
  260   HD21  LEU  37          HD21      LEU  37 -13.611   2.327  -2.577
  261   HD22  LEU  37          HD22      LEU  37 -12.123   1.647  -1.918
  262   HD23  LEU  37          HD23      LEU  37 -12.682   1.164  -3.520
  263    H    GLY  38           HN       GLY  38 -11.137   4.189  -7.233
  264    HA2  GLY  38           HA2      GLY  38 -11.609   4.493  -9.663
  265    HA3  GLY  38           HA1      GLY  38 -13.286   4.705  -9.188
  266    H    HIS  39           HN       HIS  39 -11.003   6.033  -7.043
  267    HA   HIS  39           HA       HIS  39 -11.876   8.715  -7.647
  268    HB2  HIS  39           HB2      HIS  39 -10.074   7.525  -5.550
  269    HB3  HIS  39           HB1      HIS  39 -10.187   9.265  -5.765
  270    HD1  HIS  39           HD1      HIS  39 -12.495  10.372  -5.167
  271    HD2  HIS  39           HD2      HIS  39 -12.186   6.342  -4.216
  272    HE1  HIS  39           HE1      HIS  39 -14.390   9.904  -3.584
  273    HE2  HIS  39           HE2      HIS  39 -14.274   7.427  -3.143
  274    H    HIS  40           HN       HIS  40  -9.191   6.693  -8.336
  275    HA   HIS  40           HA       HIS  40  -7.351   6.900  -9.613
  276    HB2  HIS  40           HB2      HIS  40  -8.713   8.088 -11.247
  277    HB3  HIS  40           HB1      HIS  40  -8.462   9.601 -10.385
  278    HD1  HIS  40           HD1      HIS  40  -7.367  10.668 -12.470
  279    HD2  HIS  40           HD2      HIS  40  -5.339   7.345 -11.009
  280    HE1  HIS  40           HE1      HIS  40  -5.135  10.674 -13.624
  281    HE2  HIS  40           HE2      HIS  40  -3.872   8.751 -12.604
  282    H    THR  41           HN       THR  41  -7.973  10.021  -7.959
  283    HA   THR  41           HA       THR  41  -5.123  10.225  -7.504
  284    HB   THR  41           HB       THR  41  -6.294  12.263  -8.156
  285    HG1  THR  41           HG1      THR  41  -4.992  13.410  -6.938
  286   HG21  THR  41          HG21      THR  41  -8.433  11.830  -7.023
  287   HG22  THR  41          HG22      THR  41  -7.768  13.407  -6.596
  288   HG23  THR  41          HG23      THR  41  -7.624  12.055  -5.472
  289    HA   PRO  42           HA       PRO  42  -5.168   8.588  -3.400
  290    HB2  PRO  42           HB2      PRO  42  -2.754  10.133  -2.925
  291    HB3  PRO  42           HB1      PRO  42  -2.936   8.388  -3.098
  292    HG2  PRO  42           HG2      PRO  42  -1.691   9.957  -4.943
  293    HG3  PRO  42           HG1      PRO  42  -2.503   8.428  -5.318
  294    HD2  PRO  42           HD2      PRO  42  -3.473  11.225  -5.784
  295    HD3  PRO  42           HD1      PRO  42  -3.670   9.751  -6.750
  296    H    GLU  43           HN       GLU  43  -5.249  11.882  -4.251
  297    HA   GLU  43           HA       GLU  43  -4.979  13.108  -1.750
  298    HB2  GLU  43           HB2      GLU  43  -6.375  13.974  -4.260
  299    HB3  GLU  43           HB1      GLU  43  -6.260  15.002  -2.834
  300    HG2  GLU  43           HG2      GLU  43  -3.991  13.853  -4.409
  301    HG3  GLU  43           HG1      GLU  43  -4.513  15.537  -4.415
  302    H    SER  44           HN       SER  44  -7.707  11.540  -3.244
  303    HA   SER  44           HA       SER  44  -9.525  12.473  -1.172
  304    HB2  SER  44           HB2      SER  44 -10.362  12.298  -3.480
  305    HB3  SER  44           HB1      SER  44 -10.008  10.576  -3.460
  306    HG   SER  44           HG       SER  44 -11.470  11.037  -1.332
  307    H    ILE  45           HN       ILE  45  -7.246  10.144  -1.515
  308    HA   ILE  45           HA       ILE  45  -8.631   8.088   0.031
  309    HB   ILE  45           HB       ILE  45  -5.832   8.016  -1.073
  310   HG12  ILE  45          HG12      ILE  45  -7.413   8.297  -2.902
  311   HG13  ILE  45          HG11      ILE  45  -6.770   6.663  -2.898
  312   HG21  ILE  45          HG21      ILE  45  -5.925   5.650  -0.721
  313   HG22  ILE  45          HG22      ILE  45  -7.625   5.739  -0.253
  314   HG23  ILE  45          HG23      ILE  45  -6.386   6.442   0.790
  315   HD11  ILE  45          HD11      ILE  45  -9.456   7.460  -1.818
  316   HD12  ILE  45          HD12      ILE  45  -8.809   5.822  -1.926
  317   HD13  ILE  45          HD13      ILE  45  -9.154   6.734  -3.396
  318    H    SER  46           HN       SER  46  -8.742   9.316   1.985
  319    HA   SER  46           HA       SER  46  -6.462  10.324   3.312
  320    HB2  SER  46           HB2      SER  46  -8.886   9.329   4.759
  321    HB3  SER  46           HB1      SER  46  -7.881  10.725   5.123
  322    HG   SER  46           HG       SER  46 -10.124  10.745   3.821
  323    HA   PRO  47           HA       PRO  47  -4.699   6.549   4.568
  324    HB2  PRO  47           HB2      PRO  47  -2.827   7.423   6.217
  325    HB3  PRO  47           HB1      PRO  47  -2.869   8.019   4.559
  326    HG2  PRO  47           HG2      PRO  47  -3.744   9.355   7.071
  327    HG3  PRO  47           HG1      PRO  47  -2.968  10.052   5.645
  328    HD2  PRO  47           HD2      PRO  47  -5.731  10.020   6.239
  329    HD3  PRO  47           HD1      PRO  47  -4.986  10.500   4.693
  330    H    ALA  48           HN       ALA  48  -6.639   8.250   6.622
  331    HA   ALA  48           HA       ALA  48  -6.279   6.329   8.777
  332    HB1  ALA  48           HB1      ALA  48  -5.258   8.548   9.189
  333    HB2  ALA  48           HB2      ALA  48  -6.469   8.063  10.387
  334    HB3  ALA  48           HB3      ALA  48  -6.882   9.239   9.136
  335    H    THR  49           HN       THR  49  -8.265   7.256   6.443
  336    HA   THR  49           HA       THR  49 -10.793   7.383   7.716
  337    HB   THR  49           HB       THR  49  -9.850   6.854   4.914
  338    HG1  THR  49           HG1      THR  49 -10.993   8.995   6.326
  339   HG21  THR  49          HG21      THR  49 -12.717   6.903   5.825
  340   HG22  THR  49          HG22      THR  49 -11.823   5.489   5.260
  341   HG23  THR  49          HG23      THR  49 -12.153   6.826   4.154
  342    H    ALA  50           HN       ALA  50  -8.911   4.894   6.173
  343    HA   ALA  50           HA       ALA  50  -8.726   2.644   6.744
  344    HB1  ALA  50           HB1      ALA  50 -10.194   2.793   8.706
  345    HB2  ALA  50           HB2      ALA  50 -10.522   1.359   7.730
  346    HB3  ALA  50           HB3      ALA  50 -11.601   2.756   7.640
  347    H    PHE  51           HN       PHE  51  -8.878   1.084   5.376
  348    HA   PHE  51           HA       PHE  51  -9.787   1.467   2.789
  349    HB2  PHE  51           HB2      PHE  51  -9.186  -1.034   4.346
  350    HB3  PHE  51           HB1      PHE  51  -9.523  -1.049   2.614
  351    HD1  PHE  51           HD1      PHE  51  -8.192   1.266   1.619
  352    HD2  PHE  51           HD2      PHE  51  -6.971  -1.427   4.657
  353    HE1  PHE  51           HE1      PHE  51  -5.852   1.840   1.164
  354    HE2  PHE  51           HE2      PHE  51  -4.624  -0.867   4.218
  355    HZ   PHE  51           HZ       PHE  51  -4.058   0.769   2.464
  356    H    LYS  52           HN       LYS  52 -11.281  -0.394   5.392
  357    HA   LYS  52           HA       LYS  52 -13.578  -1.269   4.215
  358    HB2  LYS  52           HB2      LYS  52 -13.269   0.002   6.941
  359    HB3  LYS  52           HB1      LYS  52 -14.608  -1.027   6.456
  360    HG2  LYS  52           HG2      LYS  52 -13.034  -2.893   6.164
  361    HG3  LYS  52           HG1      LYS  52 -11.714  -1.841   6.664
  362    HD2  LYS  52           HD2      LYS  52 -14.116  -2.497   8.362
  363    HD3  LYS  52           HD1      LYS  52 -12.548  -3.295   8.481
  364    HE2  LYS  52           HE2      LYS  52 -11.482  -1.288   9.147
  365    HE3  LYS  52           HE1      LYS  52 -12.913  -0.327   8.787
  366    HZ1  LYS  52           HZ1      LYS  52 -14.069  -1.458  10.584
  367    HZ2  LYS  52           HZ2      LYS  52 -12.674  -0.693  11.151
  368    HZ3  LYS  52           HZ3      LYS  52 -12.685  -2.367  10.930
  369    H    ASP  53           HN       ASP  53 -12.867   1.879   5.590
  370    HA   ASP  53           HA       ASP  53 -15.512   2.901   5.208
  371    HB2  ASP  53           HB2      ASP  53 -12.920   4.129   6.161
  372    HB3  ASP  53           HB1      ASP  53 -14.410   5.058   5.997
  373    H    LEU  54           HN       LEU  54 -12.913   2.440   3.250
  374    HA   LEU  54           HA       LEU  54 -13.272   4.811   1.598
  375    HB2  LEU  54           HB2      LEU  54 -11.261   2.611   1.760
  376    HB3  LEU  54           HB1      LEU  54 -11.374   3.547   0.289
  377    HG   LEU  54           HG       LEU  54 -10.960   4.803   3.000
  378   HD11  LEU  54          HD11      LEU  54  -8.586   4.968   2.386
  379   HD12  LEU  54          HD12      LEU  54  -8.894   3.924   0.998
  380   HD13  LEU  54          HD13      LEU  54  -9.115   3.305   2.637
  381   HD21  LEU  54          HD21      LEU  54 -11.788   6.290   1.290
  382   HD22  LEU  54          HD22      LEU  54 -10.520   5.760   0.187
  383   HD23  LEU  54          HD23      LEU  54 -10.099   6.658   1.645
  384    H    GLY  55           HN       GLY  55 -14.025   1.419   1.667
  385    HA2  GLY  55           HA2      GLY  55 -15.928   0.865   0.127
  386    HA3  GLY  55           HA1      GLY  55 -14.948   1.598  -1.136
  387    H    ILE  56           HN       ILE  56 -12.783   0.203   0.805
  388    HA   ILE  56           HA       ILE  56 -12.193  -1.979  -0.863
  389    HB   ILE  56           HB       ILE  56 -11.358  -1.335   1.952
  390   HG12  ILE  56          HG12      ILE  56 -10.078   0.062   0.729
  391   HG13  ILE  56          HG11      ILE  56  -9.084  -1.371   0.601
  392   HG21  ILE  56          HG21      ILE  56 -11.244  -3.613   2.034
  393   HG22  ILE  56          HG22      ILE  56  -9.615  -3.147   1.527
  394   HG23  ILE  56          HG23      ILE  56 -10.769  -3.752   0.341
  395   HD11  ILE  56          HD11      ILE  56 -10.214  -1.867  -1.565
  396   HD12  ILE  56          HD12      ILE  56  -9.211  -0.420  -1.539
  397   HD13  ILE  56          HD13      ILE  56 -10.965  -0.268  -1.449
  398    H    ASP  57           HN       ASP  57 -12.934  -3.973  -0.931
  399    HA   ASP  57           HA       ASP  57 -13.834  -5.376   1.353
  400    HB2  ASP  57           HB2      ASP  57 -15.895  -4.030   0.870
  401    HB3  ASP  57           HB1      ASP  57 -15.985  -4.824  -0.701
  402    H    SER  58           HN       SER  58 -12.708  -7.109   0.936
  403    HA   SER  58           HA       SER  58 -11.880  -8.957  -0.043
  404    HB2  SER  58           HB2      SER  58 -13.553 -10.238  -1.534
  405    HB3  SER  58           HB1      SER  58 -13.990  -9.951   0.151
  406    HG   SER  58           HG       SER  58 -15.243  -8.145  -0.602
  407    H    LEU  59           HN       LEU  59 -13.754  -8.102  -2.907
  408    HA   LEU  59           HA       LEU  59 -11.808  -8.832  -4.742
  409    HB2  LEU  59           HB2      LEU  59 -14.008  -6.802  -4.963
  410    HB3  LEU  59           HB1      LEU  59 -12.993  -7.257  -6.305
  411    HG   LEU  59           HG       LEU  59 -13.814  -9.564  -6.171
  412   HD11  LEU  59          HD11      LEU  59 -15.702 -10.133  -4.759
  413   HD12  LEU  59          HD12      LEU  59 -15.646  -8.533  -4.021
  414   HD13  LEU  59          HD13      LEU  59 -14.307  -9.658  -3.789
  415   HD21  LEU  59          HD21      LEU  59 -15.882  -7.395  -6.344
  416   HD22  LEU  59          HD22      LEU  59 -16.140  -9.054  -6.890
  417   HD23  LEU  59          HD23      LEU  59 -14.909  -8.051  -7.660
  418    H    THR  60           HN       THR  60 -12.593  -5.606  -3.519
  419    HA   THR  60           HA       THR  60 -10.458  -4.442  -5.060
  420    HB   THR  60           HB       THR  60 -11.077  -2.378  -3.595
  421    HG1  THR  60           HG1      THR  60 -13.623  -3.495  -3.445
  422   HG21  THR  60          HG21      THR  60 -11.483  -2.634  -5.994
  423   HG22  THR  60          HG22      THR  60 -12.848  -1.840  -5.193
  424   HG23  THR  60          HG23      THR  60 -12.959  -3.542  -5.649
  425    H    ALA  61           HN       ALA  61 -10.823  -5.854  -1.997
  426    HA   ALA  61           HA       ALA  61  -8.500  -4.593  -0.843
  427    HB1  ALA  61           HB1      ALA  61  -8.697  -6.174   0.939
  428    HB2  ALA  61           HB2      ALA  61  -9.769  -7.203  -0.018
  429    HB3  ALA  61           HB3      ALA  61 -10.319  -5.613   0.520
  430    H    LEU  62           HN       LEU  62  -9.213  -7.490  -2.725
  431    HA   LEU  62           HA       LEU  62  -6.522  -8.439  -2.676
  432    HB2  LEU  62           HB2      LEU  62  -8.886  -9.583  -3.230
  433    HB3  LEU  62           HB1      LEU  62  -8.372  -9.185  -4.850
  434    HG   LEU  62           HG       LEU  62  -7.612 -11.363  -4.618
  435   HD11  LEU  62          HD11      LEU  62  -5.274  -9.743  -3.611
  436   HD12  LEU  62          HD12      LEU  62  -5.742  -9.933  -5.303
  437   HD13  LEU  62          HD13      LEU  62  -5.196 -11.332  -4.376
  438   HD21  LEU  62          HD21      LEU  62  -6.548 -12.226  -2.569
  439   HD22  LEU  62          HD22      LEU  62  -8.205 -11.679  -2.317
  440   HD23  LEU  62          HD23      LEU  62  -6.855 -10.673  -1.795
  441    H    GLU  63           HN       GLU  63  -8.536  -6.541  -4.980
  442    HA   GLU  63           HA       GLU  63  -6.562  -6.289  -6.943
  443    HB2  GLU  63           HB2      GLU  63  -8.686  -5.749  -7.664
  444    HB3  GLU  63           HB1      GLU  63  -9.113  -4.970  -6.153
  445    HG2  GLU  63           HG2      GLU  63  -9.060  -3.273  -7.726
  446    HG3  GLU  63           HG1      GLU  63  -7.569  -3.148  -6.797
  447    H    LEU  64           HN       LEU  64  -7.316  -4.456  -3.996
  448    HA   LEU  64           HA       LEU  64  -5.378  -2.459  -4.181
  449    HB2  LEU  64           HB2      LEU  64  -7.088  -3.454  -2.188
  450    HB3  LEU  64           HB1      LEU  64  -5.464  -3.692  -1.555
  451    HG   LEU  64           HG       LEU  64  -6.674  -1.073  -2.414
  452   HD11  LEU  64          HD11      LEU  64  -6.490  -0.500  -0.063
  453   HD12  LEU  64          HD12      LEU  64  -5.810  -2.089   0.291
  454   HD13  LEU  64          HD13      LEU  64  -7.481  -1.949  -0.263
  455   HD21  LEU  64          HD21      LEU  64  -3.937  -1.685  -1.319
  456   HD22  LEU  64          HD22      LEU  64  -4.581  -0.077  -1.661
  457   HD23  LEU  64          HD23      LEU  64  -4.292  -1.215  -2.981
  458    H    ARG  65           HN       ARG  65  -5.296  -5.720  -3.105
  459    HA   ARG  65           HA       ARG  65  -2.654  -5.853  -2.167
  460    HB2  ARG  65           HB2      ARG  65  -4.377  -7.460  -1.507
  461    HB3  ARG  65           HB1      ARG  65  -4.465  -8.064  -3.155
  462    HG2  ARG  65           HG2      ARG  65  -1.877  -8.174  -1.652
  463    HG3  ARG  65           HG1      ARG  65  -3.132  -9.375  -1.349
  464    HD2  ARG  65           HD2      ARG  65  -3.132  -9.980  -3.714
  465    HD3  ARG  65           HD1      ARG  65  -1.907  -8.755  -4.036
  466    HE   ARG  65           HE       ARG  65  -0.953 -10.504  -2.052
  467   HH11  ARG  65          HH11      ARG  65  -1.732 -10.500  -5.466
  468   HH12  ARG  65          HH12      ARG  65  -0.570 -11.721  -5.863
  469   HH21  ARG  65          HH21      ARG  65   0.565 -12.118  -2.566
  470   HH22  ARG  65          HH22      ARG  65   0.745 -12.641  -4.213
  471    H    ASN  66           HN       ASN  66  -4.129  -6.838  -5.183
  472    HA   ASN  66           HA       ASN  66  -1.973  -7.813  -6.574
  473    HB2  ASN  66           HB2      ASN  66  -4.567  -6.594  -7.282
  474    HB3  ASN  66           HB1      ASN  66  -3.375  -6.642  -8.567
  475   HD21  ASN  66          HD21      ASN  66  -5.480  -8.452  -6.551
  476   HD22  ASN  66          HD22      ASN  66  -5.260  -9.971  -7.345
  477    H    THR  67           HN       THR  67  -2.918  -4.419  -6.144
  478    HA   THR  67           HA       THR  67  -0.856  -3.486  -7.914
  479    HB   THR  67           HB       THR  67  -2.439  -1.960  -5.858
  480    HG1  THR  67           HG1      THR  67  -3.895  -2.638  -7.364
  481   HG21  THR  67          HG21      THR  67  -0.717  -1.019  -8.151
  482   HG22  THR  67          HG22      THR  67  -0.420  -0.765  -6.430
  483   HG23  THR  67          HG23      THR  67  -1.792   0.022  -7.214
  484    H    LEU  68           HN       LEU  68  -1.311  -3.475  -4.398
  485    HA   LEU  68           HA       LEU  68   0.967  -2.213  -3.567
  486    HB2  LEU  68           HB2      LEU  68  -0.109  -4.727  -2.298
  487    HB3  LEU  68           HB1      LEU  68   0.829  -3.475  -1.514
  488    HG   LEU  68           HG       LEU  68  -1.914  -3.003  -2.645
  489   HD11  LEU  68          HD11      LEU  68  -2.828  -3.433  -0.536
  490   HD12  LEU  68          HD12      LEU  68  -1.247  -3.468   0.241
  491   HD13  LEU  68          HD13      LEU  68  -1.733  -4.781  -0.828
  492   HD21  LEU  68          HD21      LEU  68  -0.493  -1.019  -2.330
  493   HD22  LEU  68          HD22      LEU  68  -0.253  -1.470  -0.643
  494   HD23  LEU  68          HD23      LEU  68  -1.861  -1.036  -1.220
  495    H    THR  69           HN       THR  69   0.650  -5.742  -3.977
  496    HA   THR  69           HA       THR  69   3.291  -6.317  -3.316
  497    HB   THR  69           HB       THR  69   1.608  -8.070  -3.301
  498    HG1  THR  69           HG1      THR  69   3.544  -9.016  -3.608
  499   HG21  THR  69          HG21      THR  69   0.697  -9.019  -5.374
  500   HG22  THR  69          HG22      THR  69   1.512  -7.759  -6.304
  501   HG23  THR  69          HG23      THR  69   0.227  -7.330  -5.172
  502    H    HIS  70           HN       HIS  70   1.915  -5.223  -6.310
  503    HA   HIS  70           HA       HIS  70   4.105  -6.085  -7.927
  504    HB2  HIS  70           HB2      HIS  70   1.802  -5.711  -8.840
  505    HB3  HIS  70           HB1      HIS  70   1.995  -3.994  -8.522
  506    HD1  HIS  70           HD1      HIS  70   2.884  -6.641 -10.956
  507    HD2  HIS  70           HD2      HIS  70   3.824  -2.660 -10.222
  508    HE1  HIS  70           HE1      HIS  70   4.004  -5.816 -13.053
  509    HE2  HIS  70           HE2      HIS  70   4.710  -3.456 -12.524
  510    H    ASN  71           HN       ASN  71   3.207  -3.150  -6.256
  511    HA   ASN  71           HA       ASN  71   5.413  -1.678  -7.388
  512    HB2  ASN  71           HB2      ASN  71   3.322  -0.955  -5.367
  513    HB3  ASN  71           HB1      ASN  71   4.599   0.145  -5.888
  514   HD21  ASN  71          HD21      ASN  71   1.773  -1.612  -6.850
  515   HD22  ASN  71          HD22      ASN  71   1.457  -0.721  -8.292
  516    H    THR  72           HN       THR  72   4.932  -3.677  -4.659
  517    HA   THR  72           HA       THR  72   7.269  -2.485  -3.332
  518    HB   THR  72           HB       THR  72   6.334  -3.284  -1.216
  519    HG1  THR  72           HG1      THR  72   3.955  -3.941  -2.623
  520   HG21  THR  72          HG21      THR  72   4.893  -1.510  -0.987
  521   HG22  THR  72          HG22      THR  72   4.020  -1.902  -2.469
  522   HG23  THR  72          HG23      THR  72   5.581  -1.086  -2.559
  523    H    GLY  73           HN       GLY  73   5.933  -5.344  -4.725
  524    HA2  GLY  73           HA2      GLY  73   7.281  -7.109  -5.458
  525    HA3  GLY  73           HA1      GLY  73   8.575  -6.481  -4.466
  526    H    LEU  74           HN       LEU  74   5.798  -6.678  -2.659
  527    HA   LEU  74           HA       LEU  74   6.991  -8.859  -1.181
  528    HB2  LEU  74           HB2      LEU  74   5.832  -6.491  -0.450
  529    HB3  LEU  74           HB1      LEU  74   4.555  -7.645  -0.122
  530    HG   LEU  74           HG       LEU  74   6.230  -8.984   1.183
  531   HD11  LEU  74          HD11      LEU  74   8.285  -7.883   1.840
  532   HD12  LEU  74          HD12      LEU  74   7.859  -6.472   0.864
  533   HD13  LEU  74          HD13      LEU  74   8.192  -8.016   0.077
  534   HD21  LEU  74          HD21      LEU  74   6.047  -7.605   3.144
  535   HD22  LEU  74          HD22      LEU  74   4.561  -7.462   2.204
  536   HD23  LEU  74          HD23      LEU  74   5.763  -6.172   2.157
  537    H    ASP  75           HN       ASP  75   6.425 -10.782  -1.350
  538    HA   ASP  75           HA       ASP  75   4.030 -11.482  -2.839
  539    HB2  ASP  75           HB2      ASP  75   6.278 -12.419  -3.358
  540    HB3  ASP  75           HB1      ASP  75   6.227 -13.231  -1.802
  541    H    LEU  76           HN       LEU  76   2.915 -10.619  -0.803
  542    HA   LEU  76           HA       LEU  76   2.399 -12.892   0.988
  543    HB2  LEU  76           HB2      LEU  76   2.258  -9.939   1.420
  544    HB3  LEU  76           HB1      LEU  76   1.202 -10.986   2.349
  545    HG   LEU  76           HG       LEU  76   3.255 -12.228   3.119
  546   HD11  LEU  76          HD11      LEU  76   4.677  -9.871   1.906
  547   HD12  LEU  76          HD12      LEU  76   4.781 -11.542   1.353
  548   HD13  LEU  76          HD13      LEU  76   5.405 -11.098   2.942
  549   HD21  LEU  76          HD21      LEU  76   2.119 -10.598   4.524
  550   HD22  LEU  76          HD22      LEU  76   3.082  -9.304   3.809
  551   HD23  LEU  76          HD23      LEU  76   3.863 -10.554   4.778
  552    HA   PRO  77           HA       PRO  77  -1.583 -13.431  -0.783
  553    HB2  PRO  77           HB2      PRO  77  -2.877 -14.533   1.337
  554    HB3  PRO  77           HB1      PRO  77  -1.638 -15.395   0.420
  555    HG2  PRO  77           HG2      PRO  77  -1.393 -13.930   3.021
  556    HG3  PRO  77           HG1      PRO  77  -0.758 -15.526   2.573
  557    HD2  PRO  77           HD2      PRO  77   0.785 -13.321   2.568
  558    HD3  PRO  77           HD1      PRO  77   1.009 -14.630   1.389
  559    HA   PRO  78           HA       PRO  78  -4.838 -10.463   0.465
  560    HB2  PRO  78           HB2      PRO  78  -6.803 -12.188   1.472
  561    HB3  PRO  78           HB1      PRO  78  -6.656 -11.645  -0.199
  562    HG2  PRO  78           HG2      PRO  78  -5.722 -14.185   1.058
  563    HG3  PRO  78           HG1      PRO  78  -6.430 -13.918  -0.546
  564    HD2  PRO  78           HD2      PRO  78  -3.820 -14.305  -0.289
  565    HD3  PRO  78           HD1      PRO  78  -4.434 -13.081  -1.419
  566    H    THR  79           HN       THR  79  -6.690 -10.546   2.536
  567    HA   THR  79           HA       THR  79  -6.936  -9.942   4.634
  568    HB   THR  79           HB       THR  79  -6.032 -11.304   6.428
  569    HG1  THR  79           HG1      THR  79  -4.213 -12.080   4.468
  570   HG21  THR  79          HG21      THR  79  -6.951 -12.901   4.044
  571   HG22  THR  79          HG22      THR  79  -7.978 -12.110   5.241
  572   HG23  THR  79          HG23      THR  79  -6.959 -13.469   5.713
  573    H    LEU  80           HN       LEU  80  -4.508  -8.905   3.014
  574    HA   LEU  80           HA       LEU  80  -2.818  -7.837   5.062
  575    HB2  LEU  80           HB2      LEU  80  -3.243  -6.917   2.215
  576    HB3  LEU  80           HB1      LEU  80  -1.974  -6.349   3.280
  577    HG   LEU  80           HG       LEU  80  -2.277  -9.157   2.211
  578   HD11  LEU  80          HD11      LEU  80  -0.226  -7.019   1.646
  579   HD12  LEU  80          HD12      LEU  80  -1.507  -7.541   0.551
  580   HD13  LEU  80          HD13      LEU  80  -0.220  -8.660   1.001
  581   HD21  LEU  80          HD21      LEU  80  -1.363  -9.217   4.457
  582   HD22  LEU  80          HD22      LEU  80  -0.183  -7.975   4.034
  583   HD23  LEU  80          HD23      LEU  80  -0.097  -9.567   3.280
  584    H    ILE  81           HN       ILE  81  -5.675  -6.784   3.321
  585    HA   ILE  81           HA       ILE  81  -5.775  -4.160   4.457
  586    HB   ILE  81           HB       ILE  81  -8.105  -5.777   3.388
  587   HG12  ILE  81          HG12      ILE  81  -6.579  -5.719   1.594
  588   HG13  ILE  81          HG11      ILE  81  -7.658  -4.366   1.318
  589   HG21  ILE  81          HG21      ILE  81  -8.423  -3.551   4.693
  590   HG22  ILE  81          HG22      ILE  81  -9.290  -3.827   3.179
  591   HG23  ILE  81          HG23      ILE  81  -7.837  -2.820   3.188
  592   HD11  ILE  81          HD11      ILE  81  -5.300  -3.845   0.918
  593   HD12  ILE  81          HD12      ILE  81  -4.973  -4.159   2.626
  594   HD13  ILE  81          HD13      ILE  81  -6.043  -2.838   2.160
  595    H    PHE  82           HN       PHE  82  -7.069  -7.284   5.290
  596    HA   PHE  82           HA       PHE  82  -8.653  -6.489   7.459
  597    HB2  PHE  82           HB2      PHE  82  -7.367  -9.138   6.785
  598    HB3  PHE  82           HB1      PHE  82  -8.568  -8.911   8.048
  599    HD1  PHE  82           HD1      PHE  82 -10.777  -9.248   7.558
  600    HD2  PHE  82           HD2      PHE  82  -8.101  -8.274   4.391
  601    HE1  PHE  82           HE1      PHE  82 -12.588  -9.560   5.928
  602    HE2  PHE  82           HE2      PHE  82  -9.911  -8.591   2.761
  603    HZ   PHE  82           HZ       PHE  82 -12.159  -9.234   3.527
  604    H    ASP  83           HN       ASP  83  -5.252  -7.243   7.165
  605    HA   ASP  83           HA       ASP  83  -4.848  -7.180  10.048
  606    HB2  ASP  83           HB2      ASP  83  -3.587  -8.768   8.579
  607    HB3  ASP  83           HB1      ASP  83  -2.791  -7.386   7.842
  608    H    HIS  84           HN       HIS  84  -4.498  -5.161   7.256
  609    HA   HIS  84           HA       HIS  84  -3.626  -2.931   8.969
  610    HB2  HIS  84           HB2      HIS  84  -2.596  -3.671   6.233
  611    HB3  HIS  84           HB1      HIS  84  -2.344  -2.090   6.943
  612    HD1  HIS  84           HD1      HIS  84  -0.546  -1.916   8.800
  613    HD2  HIS  84           HD2      HIS  84  -1.152  -5.772   7.390
  614    HE1  HIS  84           HE1      HIS  84   1.364  -3.269   9.704
  615    HE2  HIS  84           HE2      HIS  84   0.860  -5.634   9.005
  616    HA   PRO  85           HA       PRO  85  -7.486  -2.179   6.755
  617    HB2  PRO  85           HB2      PRO  85  -8.879  -1.053   8.726
  618    HB3  PRO  85           HB1      PRO  85  -8.479  -2.776   8.757
  619    HG2  PRO  85           HG2      PRO  85  -7.169  -0.502  10.201
  620    HG3  PRO  85           HG1      PRO  85  -7.582  -2.119  10.803
  621    HD2  PRO  85           HD2      PRO  85  -5.075  -1.359   9.922
  622    HD3  PRO  85           HD1      PRO  85  -5.658  -3.034   9.981
  623    H    THR  86           HN       THR  86  -5.147   0.115   7.425
  624    HA   THR  86           HA       THR  86  -6.870   2.144   6.206
  625    HB   THR  86           HB       THR  86  -5.772   3.922   7.445
  626    HG1  THR  86           HG1      THR  86  -4.551   2.752   9.424
  627   HG21  THR  86          HG21      THR  86  -7.783   3.019   8.457
  628   HG22  THR  86          HG22      THR  86  -6.630   3.456   9.717
  629   HG23  THR  86          HG23      THR  86  -6.844   1.765   9.264
  630    HA   PRO  87           HA       PRO  87  -3.676   2.561   3.120
  631    HB2  PRO  87           HB2      PRO  87  -3.821   5.490   3.465
  632    HB3  PRO  87           HB1      PRO  87  -3.995   4.519   2.005
  633    HG2  PRO  87           HG2      PRO  87  -6.123   5.635   3.186
  634    HG3  PRO  87           HG1      PRO  87  -6.213   4.047   2.406
  635    HD2  PRO  87           HD2      PRO  87  -6.116   4.730   5.309
  636    HD3  PRO  87           HD1      PRO  87  -6.971   3.414   4.481
  637    H    HIS  88           HN       HIS  88  -3.485   4.514   6.024
  638    HA   HIS  88           HA       HIS  88  -0.679   4.882   6.085
  639    HB2  HIS  88           HB2      HIS  88  -2.337   6.095   7.511
  640    HB3  HIS  88           HB1      HIS  88  -2.618   4.607   8.398
  641    HD1  HIS  88           HD1      HIS  88   0.310   6.918   7.618
  642    HD2  HIS  88           HD2      HIS  88  -1.105   4.407  10.611
  643    HE1  HIS  88           HE1      HIS  88   1.914   7.175   9.531
  644    HE2  HIS  88           HE2      HIS  88   1.123   5.545  11.273
  645    H    ALA  89           HN       ALA  89  -2.791   2.462   7.602
  646    HA   ALA  89           HA       ALA  89  -0.862   0.860   8.776
  647    HB1  ALA  89           HB1      ALA  89  -2.530  -0.910   8.752
  648    HB2  ALA  89           HB2      ALA  89  -3.489   0.002   7.582
  649    HB3  ALA  89           HB3      ALA  89  -3.246   0.636   9.213
  650    H    LEU  90           HN       LEU  90  -2.431   0.239   5.593
  651    HA   LEU  90           HA       LEU  90  -0.901  -1.927   4.828
  652    HB2  LEU  90           HB2      LEU  90  -2.764  -0.247   3.623
  653    HB3  LEU  90           HB1      LEU  90  -1.349  -0.114   2.625
  654    HG   LEU  90           HG       LEU  90  -1.329  -2.475   2.191
  655   HD11  LEU  90          HD11      LEU  90  -3.738  -2.637   3.995
  656   HD12  LEU  90          HD12      LEU  90  -2.127  -3.250   4.369
  657   HD13  LEU  90          HD13      LEU  90  -3.051  -3.957   3.049
  658   HD21  LEU  90          HD21      LEU  90  -2.711  -1.119   0.752
  659   HD22  LEU  90          HD22      LEU  90  -4.063  -1.251   1.881
  660   HD23  LEU  90          HD23      LEU  90  -3.488  -2.679   1.026
  661    H    THR  91           HN       THR  91  -0.255   1.491   4.422
  662    HA   THR  91           HA       THR  91   2.081   1.240   2.946
  663    HB   THR  91           HB       THR  91   1.035   3.374   4.803
  664    HG1  THR  91           HG1      THR  91  -0.004   3.498   2.919
  665   HG21  THR  91          HG21      THR  91   2.868   4.841   3.793
  666   HG22  THR  91          HG22      THR  91   3.689   3.325   3.408
  667   HG23  THR  91          HG23      THR  91   3.324   3.730   5.082
  668    H    GLN  92           HN       GLN  92   1.571   1.601   6.440
  669    HA   GLN  92           HA       GLN  92   4.167   1.397   7.355
  670    HB2  GLN  92           HB2      GLN  92   1.604   0.354   8.559
  671    HB3  GLN  92           HB1      GLN  92   3.122   0.435   9.436
  672    HG2  GLN  92           HG2      GLN  92   3.077   2.942   8.811
  673    HG3  GLN  92           HG1      GLN  92   1.376   2.652   8.471
  674   HE21  GLN  92          HE21      GLN  92   1.102   0.644  10.556
  675   HE22  GLN  92          HE22      GLN  92   1.097   1.504  12.055
  676    H    HIS  93           HN       HIS  93   1.901  -1.146   6.510
  677    HA   HIS  93           HA       HIS  93   3.324  -3.405   7.234
  678    HB2  HIS  93           HB2      HIS  93   1.075  -3.627   6.486
  679    HB3  HIS  93           HB1      HIS  93   1.426  -2.852   4.951
  680    HD1  HIS  93           HD1      HIS  93   2.176  -6.115   6.770
  681    HD2  HIS  93           HD2      HIS  93   1.896  -4.575   2.920
  682    HE1  HIS  93           HE1      HIS  93   2.321  -8.093   5.234
  683    HE2  HIS  93           HE2      HIS  93   1.975  -7.155   2.930
  684    H    LEU  94           HN       LEU  94   3.398  -1.817   4.000
  685    HA   LEU  94           HA       LEU  94   5.510  -3.573   3.130
  686    HB2  LEU  94           HB2      LEU  94   4.415  -1.042   1.884
  687    HB3  LEU  94           HB1      LEU  94   5.425  -2.230   1.086
  688    HG   LEU  94           HG       LEU  94   2.728  -2.926   2.224
  689   HD11  LEU  94          HD11      LEU  94   2.674  -1.089   0.471
  690   HD12  LEU  94          HD12      LEU  94   1.682  -2.520   0.196
  691   HD13  LEU  94          HD13      LEU  94   3.208  -2.335  -0.675
  692   HD21  LEU  94          HD21      LEU  94   4.299  -4.775   1.755
  693   HD22  LEU  94          HD22      LEU  94   4.409  -4.235   0.076
  694   HD23  LEU  94          HD23      LEU  94   2.874  -4.825   0.719
  695    H    HIS  95           HN       HIS  95   5.395  -0.528   4.763
  696    HA   HIS  95           HA       HIS  95   7.998   0.387   3.874
  697    HB2  HIS  95           HB2      HIS  95   6.210   1.987   4.557
  698    HB3  HIS  95           HB1      HIS  95   6.287   1.342   6.191
  699    HD1  HIS  95           HD1      HIS  95   8.313   2.015   7.641
  700    HD2  HIS  95           HD2      HIS  95   8.283   3.761   3.863
  701    HE1  HIS  95           HE1      HIS  95  10.049   3.823   7.720
  702    HE2  HIS  95           HE2      HIS  95   9.842   4.998   5.507
  703    H    THR  96           HN       THR  96   6.636  -1.580   6.358
  704    HA   THR  96           HA       THR  96   9.019  -1.566   7.993
  705    HB   THR  96           HB       THR  96   6.217  -2.422   8.236
  706    HG1  THR  96           HG1      THR  96   6.626  -1.815  10.405
  707   HG21  THR  96          HG21      THR  96   8.352  -4.104   9.533
  708   HG22  THR  96          HG22      THR  96   7.202  -4.623   8.297
  709   HG23  THR  96          HG23      THR  96   6.627  -4.164   9.899
  710    H    ARG  97           HN       ARG  97   7.208  -3.606   5.777
  711    HA   ARG  97           HA       ARG  97   8.814  -5.902   6.085
  712    HB2  ARG  97           HB2      ARG  97   6.856  -5.075   3.982
  713    HB3  ARG  97           HB1      ARG  97   7.652  -6.633   3.974
  714    HG2  ARG  97           HG2      ARG  97   5.961  -5.559   6.199
  715    HG3  ARG  97           HG1      ARG  97   5.393  -6.667   4.947
  716    HD2  ARG  97           HD2      ARG  97   7.627  -7.223   6.891
  717    HD3  ARG  97           HD1      ARG  97   5.976  -7.795   7.038
  718    HE   ARG  97           HE       ARG  97   7.293  -8.514   4.576
  719   HH11  ARG  97          HH11      ARG  97   6.606  -9.456   7.874
  720   HH12  ARG  97          HH12      ARG  97   6.835 -11.147   7.570
  721   HH21  ARG  97          HH21      ARG  97   7.614 -10.747   4.179
  722   HH22  ARG  97          HH22      ARG  97   7.409 -11.878   5.479
  723    H    LEU  98           HN       LEU  98   9.263  -3.027   4.264
  724    HA   LEU  98           HA       LEU  98  10.996  -3.758   2.286
  725    HB2  LEU  98           HB2      LEU  98  10.712  -1.417   3.981
  726    HB3  LEU  98           HB1      LEU  98  12.354  -1.654   3.446
  727    HG   LEU  98           HG       LEU  98  11.787  -0.526   1.610
  728   HD11  LEU  98          HD11      LEU  98  11.781  -2.839   0.720
  729   HD12  LEU  98          HD12      LEU  98  10.759  -1.730  -0.193
  730   HD13  LEU  98          HD13      LEU  98  10.025  -2.876   0.929
  731   HD21  LEU  98          HD21      LEU  98   9.507   0.048   1.024
  732   HD22  LEU  98          HD22      LEU  98   9.829   0.345   2.733
  733   HD23  LEU  98          HD23      LEU  98   8.906  -1.076   2.242
  734    H    THR  99           HN       THR  99  11.884  -3.211   5.660
  735    HA   THR  99           HA       THR  99  14.454  -4.492   5.252
  736    HB   THR  99           HB       THR  99  14.628  -2.600   6.621
  737    HG1  THR  99           HG1      THR  99  15.856  -3.838   7.807
  738   HG21  THR  99          HG21      THR  99  13.224  -2.140   8.565
  739   HG22  THR  99          HG22      THR  99  12.307  -3.612   8.252
  740   HG23  THR  99          HG23      THR  99  12.258  -2.280   7.092
  741    H    GLN 100           HN       GLN 100  11.443  -5.023   7.002
  742    HA   GLN 100           HA       GLN 100  12.225  -7.569   8.043
  743    HB2  GLN 100           HB2      GLN 100   9.549  -6.221   7.818
  744    HB3  GLN 100           HB1      GLN 100   9.805  -7.749   8.641
  745    HG2  GLN 100           HG2      GLN 100  11.285  -5.246   9.375
  746    HG3  GLN 100           HG1      GLN 100   9.722  -5.681  10.078
  747   HE21  GLN 100          HE21      GLN 100  13.100  -6.455   9.906
  748   HE22  GLN 100          HE22      GLN 100  13.116  -7.576  11.222
  749    H    SER 101           HN       SER 101  12.972  -8.252   5.822
  750    HA   SER 101           HA       SER 101  11.058 -10.122   4.795
  751    HB2  SER 101           HB2      SER 101  11.354  -9.316   2.409
  752    HB3  SER 101           HB1      SER 101  10.361  -8.279   3.434
  753    HG   SER 101           HG       SER 101  11.781  -6.741   3.275
  754    H    HIS 102           HN       HIS 102  12.273 -11.013   2.578
  755    HA   HIS 102           HA       HIS 102  15.111 -11.187   2.969
  756    HB2  HIS 102           HB2      HIS 102  15.149 -13.663   3.172
  757    HB3  HIS 102           HB1      HIS 102  14.466 -12.869   4.568
  758    HD1  HIS 102           HD1      HIS 102  13.975 -15.859   3.147
  759    HD2  HIS 102           HD2      HIS 102  11.371 -12.664   3.639
  760    HE1  HIS 102           HE1      HIS 102  11.671 -16.857   3.104
  761    HE2  HIS 102           HE2      HIS 102  10.100 -14.896   3.294